diff --git "a/paracetamol/test.extxyz" "b/paracetamol/test.extxyz" new file mode 100644--- /dev/null +++ "b/paracetamol/test.extxyz" @@ -0,0 +1,22000 @@ +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.08213022 5.72678150 5.83846592 -0.00216113 -0.00112319 0.00424944 -0.02354230 -0.00230045 0.03215113 -0.00367062 0.00033193 0.00468856 +C 2.37168491 6.14499731 5.93497530 0.00233964 -0.00056335 -0.00289437 0.00976590 -0.02545401 -0.03641329 -0.00160073 -0.00559039 -0.00652711 +H 0.86584051 4.94791830 5.40273087 -0.02151145 -0.00719028 -0.00815156 -0.01869436 0.02395058 -0.01362245 0.01397722 0.01427392 0.00447557 +C 2.68810380 7.44170812 6.47226421 -0.00086000 0.00283869 -0.00117711 -0.00183617 -0.01353351 -0.02009522 0.00328077 -0.00785677 -0.00484729 +H 3.15546409 4.23335211 4.99415790 0.02492594 -0.00350512 -0.01611451 0.03596346 -0.00522302 -0.10053785 -0.01641681 0.00534527 -0.00619028 +C 4.01981374 7.82152074 6.54007374 0.00275504 0.00447812 -0.00150873 0.02947481 0.00475840 -0.01770272 -0.00004418 -0.00202824 -0.00223897 +H 1.87783642 8.13241089 6.80821899 0.01520232 -0.01148569 0.01230839 0.05395055 -0.06348731 0.09979302 -0.01254864 0.00170129 0.01758836 +C 5.02897615 6.87885661 6.06568332 -0.00033632 0.00555768 -0.00365990 -0.04258281 0.05995538 -0.01548466 -0.00467937 0.00895010 -0.00196994 +H 4.37213834 8.78613459 6.91787236 -0.00949965 0.00084040 0.02705190 -0.13871070 -0.04035188 0.13755591 -0.01602832 -0.00603695 0.00912442 +C 4.68343421 5.61871927 5.51493808 0.00347933 -0.00316498 0.00490026 0.01316948 -0.00402182 0.03250167 -0.00181035 0.00188239 0.00364890 +N 6.24185390 7.40180173 6.15194183 0.00153973 0.00731853 0.00013743 0.04844385 0.05770507 -0.00721296 0.00651355 0.00799882 -0.00210053 +C 3.35260808 5.22117623 5.40129970 -0.00272326 -0.01029419 -0.00444059 -0.00601582 -0.03015389 -0.00414943 0.00289138 0.00166326 0.00251806 +H 5.48990946 5.01427285 5.15023337 0.00655806 0.01730721 -0.00210016 -0.06819965 -0.08670162 -0.04278163 -0.01772474 -0.02908056 -0.00326264 +C 7.42867345 6.89963297 5.75918910 0.00261961 0.00350625 -0.00147956 -0.01943611 0.00666477 -0.00143074 -0.00503535 -0.00149116 0.00102329 +H 6.36556586 8.37544946 6.45522848 -0.01572710 0.00352739 -0.00995685 -0.12687378 0.04365890 0.01899436 -0.00466224 0.01686948 0.01602549 +O 7.47290421 5.83680770 5.17428957 -0.00428059 0.00027379 0.00046978 -0.00392878 0.00081193 -0.00257751 0.00231394 -0.00000007 -0.00108306 +C 8.64770321 7.62660144 6.17916920 -0.00170920 -0.00712679 0.00231417 0.02131849 -0.03339392 0.01229763 0.00643395 -0.00113939 -0.00057767 +H 9.14876153 7.17771554 7.06951599 0.01243495 -0.01694703 0.00286881 -0.00244734 -0.06895590 -0.06459608 -0.00114732 -0.01741927 -0.00321920 +H 9.35700844 7.68274128 5.38653986 -0.00336604 -0.00335844 -0.01093636 -0.02010118 -0.11088998 -0.06235497 -0.00902581 -0.01926581 0.00515113 +H 8.45829760 8.68367703 6.25886900 0.00552105 -0.01058336 0.02289675 0.00199570 -0.05105667 0.25984982 0.00131739 -0.01595564 0.03916145 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97370844 5.78218734 5.90368380 -0.00434028 -0.00589336 -0.00104953 -0.03125222 -0.04586258 -0.01882277 -0.00421344 -0.00633943 -0.00286586 +C 2.32122216 5.95373553 5.75665300 -0.00045506 -0.00226817 0.00361648 -0.00828027 0.01061248 0.00734364 -0.00245718 0.00449054 -0.00174962 +H 0.51595556 5.95072217 6.67676837 -0.01614315 0.01940242 -0.00825265 0.01011483 0.13725758 -0.03197758 0.02540249 0.01259442 -0.02130115 +C 2.93039320 6.03438760 4.46944975 0.00810394 -0.00265093 0.00509948 0.03102680 -0.03106503 0.02306052 0.00093622 -0.00407268 0.00303112 +H 2.56778790 6.40371633 7.83048069 -0.02699340 -0.00589224 0.00480864 -0.05814238 -0.01062536 -0.03970690 0.00384255 0.00420506 0.00144287 +C 4.30873248 6.29924540 4.37854325 -0.00437449 0.00006398 -0.00304777 0.00268915 0.02011792 -0.01799553 0.00564810 0.00492202 0.00022233 +H 2.40815371 5.78977062 3.53058139 -0.00166862 0.04745586 -0.02641417 0.01355491 0.31002097 0.07112259 -0.00791828 0.02487899 0.02220897 +C 5.07876886 6.57536913 5.52580361 -0.00330350 -0.00031445 -0.00013241 -0.00101662 0.00446869 0.01010915 0.00316930 0.00149412 0.00318957 +H 4.79122894 6.44138705 3.41869040 0.02189974 0.00963756 0.00037429 0.02769354 -0.03437574 0.01144848 -0.01190372 -0.01388887 -0.00763751 +C 4.42643306 6.60442614 6.76424047 0.00114149 0.00336392 0.00308127 0.01422402 0.01117788 0.04237461 0.00047843 -0.00060933 0.00646875 +N 6.44863579 6.92824702 5.43236313 0.00176469 -0.00483066 -0.00137787 0.01039884 -0.02038931 -0.01083330 -0.00016279 -0.00068634 -0.00304692 +C 3.05888286 6.38342217 6.86166736 -0.00157386 0.00562841 -0.00054323 -0.02453943 0.01994152 0.01872101 -0.00354026 0.00002921 0.00438424 +H 4.97550407 6.67393045 7.69219518 0.01833495 -0.01948309 0.02762995 -0.00766841 -0.00675478 0.00874338 -0.00852755 0.01893752 -0.00659640 +C 7.41703176 7.24645784 6.35279431 -0.00151855 0.00626850 0.00233388 -0.01010540 0.01236721 -0.03560279 0.00019454 -0.00301356 -0.01108323 +H 6.83604947 6.97747107 4.49976383 -0.02054409 0.01371477 0.00079175 -0.13596707 0.10014009 -0.05551149 -0.01259643 0.01229938 -0.00768302 +O 7.28911113 6.93152186 7.51877053 -0.00207207 -0.00022126 -0.00553741 -0.00688448 0.00859583 -0.02247834 0.00002593 0.00283971 -0.00136667 +C 8.78770686 7.69771831 5.73335970 0.00725551 -0.00228584 -0.00073745 0.03581955 -0.01415129 0.00330638 0.00226598 -0.00082581 0.00512851 +H 9.55441772 7.67190389 6.48384025 0.00065424 -0.02409928 0.00576532 0.00630063 -0.12545451 0.06215703 -0.00749397 -0.01174273 0.00057778 +H 9.15905339 6.98962119 4.92688631 0.01512920 0.01138841 -0.00543273 0.01303534 0.08446963 0.00814406 -0.00122385 -0.00608255 -0.01668362 +H 8.76430372 8.68914562 5.26931357 0.02372490 0.01904639 0.00919647 0.11742571 0.02133741 0.16017235 0.00936767 -0.00488682 0.03089912 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01646988 5.62032032 5.67689877 -0.00268397 0.00112977 -0.00102798 -0.01651456 0.01061109 0.00277044 -0.00167755 0.00335569 0.00044425 +C 2.26892974 6.03756623 5.99926741 0.00011280 -0.00433056 -0.00134903 0.03140528 -0.04481925 -0.01872388 0.00761966 -0.00830622 -0.00384586 +H 0.65978939 6.09479154 4.98233994 0.02268340 0.01969068 0.00022987 0.09068310 0.09904173 -0.01090669 0.00819952 -0.00891519 0.01758447 +C 3.05626816 5.46070704 7.04734778 0.00131929 -0.00191901 0.00589007 -0.01659909 -0.00537120 0.01949176 -0.00585226 0.00089786 -0.00097141 +H 2.34327800 7.13676585 4.20107152 0.00267087 -0.00697193 0.01819874 0.06615733 0.06008850 -0.03437466 0.02325322 0.01544939 -0.00744161 +C 4.37731130 5.84475091 7.23679352 -0.00249668 0.00029898 -0.01161129 0.01728331 -0.02341138 -0.05257967 0.00482952 -0.00704794 -0.00210227 +H 2.77309616 4.61200488 7.68235600 -0.01268047 0.01394341 0.00205414 -0.23338926 0.16070461 0.08401800 -0.04237644 0.02810411 0.02322775 +C 5.11575467 6.50545565 6.22488390 0.00046054 0.00014334 0.00664215 0.00376236 0.01875361 0.04236828 0.00043253 0.00651173 0.00049426 +H 4.93269875 5.40341695 8.05934897 0.01589817 0.01582380 0.01346472 -0.01851312 0.14496421 -0.02006432 -0.00941714 0.01224828 -0.00119335 +C 4.34581181 6.99251759 5.14811868 0.00385937 -0.00091282 -0.00666367 0.04214653 0.00598952 -0.04423718 0.00556952 -0.00021413 0.00009280 +N 6.52137498 6.69091020 6.48175741 0.00013464 0.00339379 0.00009358 -0.01601752 0.02145774 -0.00816411 -0.00437985 0.00294818 -0.00276795 +C 2.94811915 6.78908853 5.01023740 0.00445873 0.00305787 -0.00025964 0.02920029 0.00886540 0.02471521 0.00368726 0.00010374 0.00425757 +H 4.89301026 7.58418339 4.34482869 0.01052860 0.02157304 0.01874350 -0.05980088 0.09408267 0.09847002 -0.00229077 0.02856186 -0.02518668 +C 7.39864014 7.32685728 5.66967544 -0.00073148 -0.00496658 -0.00116575 -0.00894530 -0.03563023 -0.01692309 -0.00107903 -0.00506254 -0.00176099 +H 6.91484793 6.27773864 7.32568271 0.01880903 -0.00788253 0.00519698 0.02428960 0.01898275 -0.07897107 -0.00417287 0.00253405 -0.00559768 +O 7.14926277 7.85135432 4.57070950 -0.00876313 -0.00456882 0.00578790 -0.06078205 -0.03198663 0.04322139 -0.00849800 -0.00398037 0.00514754 +C 8.82345334 7.32081517 6.10158698 0.00160285 -0.00128141 -0.00220637 0.02659845 0.00958972 -0.00983513 0.00396871 0.00497809 -0.00021407 +H 9.54680607 7.23082568 5.26068303 0.00108018 0.02982256 -0.01406010 -0.07585132 0.16558335 -0.03838825 -0.00659376 0.00902705 -0.00910063 +H 9.00170594 8.24666325 6.62064225 0.01776637 0.02007329 0.00406359 0.08914557 -0.01580671 -0.01098539 0.00238828 -0.01890338 -0.00642033 +H 8.99356024 6.42718649 6.74211013 0.00075995 0.01943938 0.00303654 0.07901211 0.10029678 0.05865046 0.02488394 -0.00217215 0.01209582 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.93097436 5.78637918 5.91594899 -0.00316144 -0.00126587 0.00419833 -0.01740673 -0.01511453 0.02003656 0.00029036 -0.00190751 0.00317781 +C 2.26377906 6.08502002 5.95488363 0.00150816 -0.00250800 -0.00161116 0.00773446 -0.00410387 0.00282101 0.00068511 0.00084164 0.00172452 +H 0.53743565 5.37923274 5.11279994 0.01385899 0.01467445 -0.02051261 0.17366454 0.14259115 -0.06587356 0.01454889 0.01081879 -0.02930132 +C 2.72053610 6.82299645 7.05527569 0.00515464 -0.00113716 0.00298536 0.05440615 -0.02332220 -0.00217428 0.00857569 -0.00630926 -0.00527934 +H 2.88936630 5.07360686 4.19091135 0.00799271 -0.00007630 0.00189238 -0.00267875 -0.00294979 -0.10136756 -0.00313817 0.01332498 -0.01380141 +C 4.08681036 7.17660677 7.10458616 0.00432441 -0.00047133 -0.00250659 0.03231869 -0.02067313 -0.02243496 0.00522210 -0.00159311 0.00150027 +H 2.09609904 7.01446544 7.98182705 0.01269622 -0.01831660 -0.04350260 -0.08403887 -0.00097562 -0.14326168 -0.03256623 0.02191674 0.01712591 +C 5.01400475 6.75124648 6.10405802 0.00259841 0.00218740 0.00278096 0.02075281 0.04861249 0.02824560 0.00192115 0.00831106 0.00173263 +H 4.53141461 7.60045696 7.96330344 -0.00817324 -0.00553016 -0.03407208 -0.04463412 0.15254019 0.01505271 -0.01572625 0.02478881 0.00362046 +C 4.54807894 6.08349306 4.99235394 -0.00113118 0.00370533 0.00477253 -0.00610584 -0.00092257 0.01803731 -0.00052509 -0.00317073 0.00132208 +N 6.32791547 7.27281810 6.24584628 -0.00761930 0.00030118 0.00436269 -0.02566958 -0.00249516 0.02603763 0.00237958 -0.00203912 0.00090970 +C 3.19819163 5.71095456 4.97416715 0.00095292 0.00446529 -0.00766275 -0.01031047 0.02151677 -0.05680886 -0.00476105 0.00085556 -0.00830194 +H 5.19747245 5.72973305 4.20604767 -0.01550222 -0.02817376 -0.01038833 -0.07686867 -0.06343631 0.01788706 0.00379648 0.01013121 0.01052849 +C 7.50056260 6.96973033 5.66843841 -0.00156339 -0.00583169 -0.00718434 -0.00424438 -0.02612396 -0.02918547 -0.00080707 0.00142118 0.00254158 +H 6.52840149 7.96746848 6.96043925 0.00378038 0.02132963 0.01125611 -0.14035890 0.01121651 -0.02330516 -0.03134749 0.00049985 0.00027453 +O 7.72519478 6.09707514 4.79553437 -0.00430689 -0.00387715 0.00164156 -0.03877510 -0.02366862 0.01446875 -0.00633648 -0.00383213 0.00142717 +C 8.68766890 7.79372193 6.20845291 0.00299513 0.00397288 0.00234417 0.01869272 0.01983996 0.01852247 0.00279049 0.00338570 0.00046076 +H 9.26637787 7.30321670 6.96889487 0.01074365 0.01543688 0.02933764 0.01594120 0.03140617 0.04351188 -0.00972287 -0.00182825 -0.01726161 +H 9.31109021 8.13172765 5.44601957 0.01104720 0.01701276 -0.00056761 0.07552334 0.06080901 -0.01637061 -0.00909245 -0.01514723 0.01894169 +H 8.35784156 8.63741476 6.78246799 0.01115200 0.00886493 -0.01428842 -0.01751374 0.14240673 -0.12365604 -0.00996547 0.01034128 -0.02462760 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.93348525 5.81741159 5.87490445 -0.00035247 -0.00461995 -0.00361899 -0.00911055 -0.03899929 -0.03897950 -0.00091214 -0.00473900 -0.00509418 +C 2.24515899 6.16415230 5.86051129 -0.00095654 -0.00067945 0.00353837 0.00843649 -0.01581358 0.02695095 0.00304160 -0.00322292 0.00506511 +H 0.65619805 5.26778371 5.14371492 -0.01930517 -0.01276955 -0.01929397 -0.03824639 0.01319364 -0.01337115 -0.00215019 -0.00749628 -0.01853887 +C 2.74513039 6.84412283 6.94286012 -0.00420302 0.00560783 0.00295533 -0.03738454 0.05361912 0.05347168 -0.00287271 0.00790937 0.00862711 +H 2.95796414 5.00578701 4.10189770 -0.00123391 -0.00181381 0.00277205 -0.02740500 0.04970439 0.11715563 -0.01090501 -0.00690069 -0.00020323 +C 4.08759780 7.16969792 7.16665248 0.01042797 -0.00528167 -0.00869349 0.03895122 -0.02129755 -0.05275758 -0.00267678 0.00241375 0.00029338 +H 2.00122342 7.09623430 7.68748541 -0.01228042 0.01165907 0.02068159 0.03761488 0.10128337 0.07027167 0.01076825 0.01959546 0.00770978 +C 5.01811891 6.80981771 6.16847044 0.00126312 0.00254363 0.00457293 0.04043367 -0.00113653 0.03101187 0.00923148 -0.00520544 -0.00066284 +H 4.41900715 7.69283297 7.98524667 -0.01496700 0.00570235 0.00017181 -0.07072853 0.02973396 0.04066293 -0.00502569 -0.01799926 -0.02394946 +C 4.57119704 6.02509197 5.12181542 0.00132695 0.00414868 -0.00750603 0.00607543 0.01986050 -0.04933741 0.00284632 0.00370240 -0.00326456 +N 6.37658106 7.11167091 6.45450333 -0.00074700 0.00117667 0.00030051 0.00497227 0.02525997 -0.01038849 0.00147295 0.00634460 -0.00191259 +C 3.19781690 5.67511241 4.96367881 0.00764981 0.00165961 0.00743314 0.04586191 0.00515202 0.02781140 0.00343757 0.00121457 0.00272231 +H 5.25547954 5.52908607 4.41275322 -0.00987155 0.00806378 0.00829544 0.04191565 0.09070458 -0.04448465 0.02055584 0.01273562 -0.02694453 +C 7.52644134 6.96118292 5.72867555 -0.00456763 -0.00286027 -0.00096456 -0.05773319 -0.03165753 -0.01177601 -0.00860858 -0.00296307 -0.00066739 +H 6.54890699 7.75492211 7.19644431 0.01164147 0.00988002 -0.01119589 -0.00462945 0.05374833 -0.01689696 -0.01184895 -0.00020704 -0.00049626 +O 7.62939638 6.13393950 4.79999079 -0.00215208 0.00418367 0.00351599 -0.01887132 0.02805868 0.02326070 -0.00359388 0.00209829 0.00149647 +C 8.68467231 7.86373694 6.00643942 -0.00138805 -0.00953841 0.00018177 -0.00462272 -0.04801675 -0.01090696 -0.00344404 -0.00508948 -0.00116749 +H 8.81205806 8.53319006 5.09730544 -0.00284413 0.01763731 0.00975705 -0.02311962 -0.01174264 0.13883325 0.00153189 0.00082577 -0.00732991 +H 8.58772392 8.53209416 6.87703419 0.00579539 0.01890086 -0.01491256 0.05403773 -0.03286568 -0.05788678 0.00663103 -0.02381472 0.01178344 +H 9.59684729 7.16868173 6.01584513 -0.02062857 -0.01425656 -0.01689836 -0.07125163 -0.00294792 -0.01283456 0.03011637 -0.00820368 0.01122420 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04230980 5.72095446 5.86205356 0.00343265 -0.00166850 0.01003571 0.01071957 -0.01832257 0.07766954 -0.00044656 -0.00235146 0.00875049 +C 2.32933095 6.10250931 5.80585012 -0.00163431 -0.00438794 -0.01004325 -0.00922836 -0.03052268 -0.09415100 0.00081809 -0.00479944 -0.01116635 +H 0.89009220 5.25421773 6.70723793 0.00468857 0.00718310 0.02711951 0.00814918 0.10530064 0.09166941 -0.00550114 0.00493014 0.03776922 +C 2.82652885 6.53959423 4.55129703 -0.00190785 -0.00014893 -0.00755680 -0.00299090 -0.00896214 -0.03408791 -0.00110803 -0.00152028 -0.00617837 +H 2.77136489 5.73643392 7.88666689 0.00749544 0.00349938 0.00547968 0.04361385 0.00373655 -0.09024285 -0.00266952 -0.00726492 -0.00754813 +C 4.21225302 6.81923899 4.38525380 -0.00408547 0.00296326 0.00321122 -0.01842777 0.03774634 0.02373585 0.00031454 0.00686629 0.00369627 +H 2.10645655 6.58341934 3.76749651 0.01006046 0.00082331 0.02063447 -0.00180588 0.03386343 -0.11468598 0.00953185 0.00526660 -0.02716015 +C 5.05111281 6.86800243 5.52994444 0.00317789 -0.00635849 -0.00083899 0.02920774 -0.05534061 -0.00875897 0.00219437 -0.00829159 -0.00067152 +H 4.59174257 7.15670896 3.42832870 0.02141436 0.00823545 0.00608515 0.05815146 -0.01231317 0.06291622 -0.00663249 -0.00531222 0.00248777 +C 4.47552369 6.48261120 6.78115379 -0.00396197 0.00238960 -0.00006604 -0.01819746 0.01869326 -0.01126551 0.00312733 0.00280043 -0.00109359 +N 6.45760351 7.16294357 5.34006383 -0.00071977 0.00650628 0.00699259 -0.03638703 0.05359390 0.05505488 -0.00890362 0.00803295 0.00691359 +C 3.13859722 5.99654102 6.88366101 0.00108212 0.00319341 -0.00968076 0.02689532 0.03687437 -0.03347358 0.00374488 0.00702693 -0.00403071 +H 4.98117873 6.62591048 7.67593303 0.01185649 -0.00811711 -0.00521718 0.08621650 -0.11742129 0.00944657 -0.01238713 -0.02233525 -0.01734447 +C 7.43326149 6.97465377 6.27551161 -0.00536221 -0.00875730 -0.00121434 -0.02690691 -0.05134248 -0.02694487 0.00003644 -0.00369049 -0.00549058 +H 6.67411520 7.73954566 4.58460871 -0.00827605 0.01869350 -0.02179158 -0.03424940 -0.02594416 -0.00249779 -0.00146057 -0.02469773 0.02530426 +O 7.30093418 6.30725413 7.29952196 0.00075498 0.00638419 -0.00056595 0.00419298 0.03828096 0.00311459 0.00008912 0.00372098 0.00189408 +C 8.77022006 7.58869835 5.95934896 0.00138690 -0.00457937 0.00578776 0.01526145 -0.02971237 0.03272928 0.00186645 -0.00379847 0.00087454 +H 8.99243454 7.53097415 4.91287443 0.00739817 0.01317270 -0.01085021 0.02204208 0.07046025 0.02388453 -0.00543737 0.00209585 0.02201347 +H 8.69625256 8.61575176 6.30940413 0.01002347 0.01198788 -0.01232708 0.12718707 0.00124185 -0.07428498 0.02396222 -0.01386207 0.00137824 +H 9.55799519 7.08852542 6.54852018 0.01357982 -0.03382956 -0.01351097 0.01190053 -0.13660240 -0.13968263 -0.00101147 -0.00775843 -0.01522629 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97333549 5.71121250 5.85601942 0.00530307 -0.00584355 0.00562350 0.04033650 -0.04478624 0.04764207 0.00397821 -0.00662378 0.00573716 +C 2.31937242 5.97667865 5.95956009 -0.00309276 0.00247274 0.00148391 -0.03566873 0.00744228 0.00407530 -0.00293215 0.00020585 0.00027256 +H 0.66485154 5.87445836 4.96826547 0.02449247 0.00713911 0.02666551 0.05337034 0.07195492 0.04641355 -0.00426820 0.00522100 0.01178729 +C 3.03813492 5.69381660 7.11322255 -0.00979058 -0.00283894 -0.00132099 -0.03926583 -0.01164992 -0.00171903 -0.00155423 0.00024997 0.00067079 +H 2.57276301 6.57813658 3.87673819 0.00205584 -0.02017015 -0.01189700 -0.07710447 -0.07639897 0.01028124 -0.00941834 0.00056426 0.03102871 +C 4.42670072 5.95360184 7.24848826 -0.00166373 0.00502569 -0.00068506 -0.04095090 0.03431789 -0.01481946 -0.00926811 0.00436608 -0.00542623 +H 2.51232201 5.19352955 7.94935777 0.00285748 0.00999216 -0.03192030 -0.09256971 0.01522811 -0.01408865 -0.02423638 -0.00670911 0.02751482 +C 5.12087665 6.52857743 6.15126032 0.00471407 -0.00247998 -0.00952895 0.01490094 -0.02899733 -0.02690512 -0.00221181 -0.00398575 -0.00050099 +H 4.79938985 5.73462782 8.27277273 -0.01218114 -0.00091221 0.00149660 0.06302081 -0.00672519 -0.11708845 0.03035085 -0.00402372 -0.01224841 +C 4.33924718 6.82672458 5.02000005 -0.00482611 0.01009821 -0.00548624 -0.00672011 0.05927264 -0.05878767 0.00393393 0.00508368 -0.00812151 +N 6.51774105 6.61339437 6.30966003 0.00576401 -0.00124059 -0.00030610 0.01457044 -0.00870565 -0.01382746 -0.00251425 -0.00363157 -0.00044008 +C 2.96120888 6.46112282 4.84345648 -0.00179432 0.00004569 0.00336747 0.02622528 0.01942041 0.01333135 0.00525002 0.00485710 -0.00127084 +H 4.92210709 7.23511914 4.19529503 -0.00146067 -0.00338917 -0.01766624 -0.11527609 -0.01378666 -0.13084450 -0.01926725 0.00625850 -0.02423113 +C 7.41121193 7.31953352 5.61444172 0.00059270 -0.00460670 0.00515242 -0.00136535 -0.02392706 0.04622139 0.00027900 0.00135883 0.00422695 +H 6.96380936 6.11887278 7.04225502 -0.00651797 0.01336503 0.00144153 -0.06871742 0.01002111 0.09332580 -0.01839315 0.00380688 0.00039754 +O 7.14615692 8.15563516 4.79900194 0.00395498 0.00099897 0.00041200 0.02568529 0.00774197 -0.00717728 0.00346664 -0.00027244 -0.00103324 +C 8.79254621 7.14149814 6.14566003 -0.00335039 -0.00062863 0.00533138 0.00538630 0.01650760 0.01702231 0.00465758 0.00487356 0.00173098 +H 8.98270347 7.92358407 6.83555346 -0.00371109 -0.00510700 -0.00662030 -0.02164128 0.07327067 0.05708696 -0.00161611 0.00255941 0.00506344 +H 9.05290579 6.25305351 6.72905098 -0.00499503 0.01070062 -0.01429407 -0.04450201 -0.09622222 -0.11249215 -0.00846071 -0.02365972 -0.01587407 +H 9.47910399 7.38981443 5.34801276 0.00133346 -0.00194543 -0.01865742 -0.02398212 -0.13093561 -0.02555799 -0.00592511 -0.02677413 0.00832582 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00954629 5.70154758 5.77587149 -0.00505980 -0.00107707 0.00204584 -0.01803219 0.00271229 0.01563333 -0.00081676 -0.00016707 0.00189481 +C 2.31697561 6.18845075 5.86923521 -0.00691866 0.00066311 0.00216363 -0.04051560 -0.02303060 0.00617107 -0.00189230 -0.00485355 0.00031689 +H 1.03778917 4.81701969 5.56528959 0.00855909 -0.00340176 0.00050755 -0.01881004 -0.01835541 0.00383703 -0.01534991 0.02231422 0.00642561 +C 2.59294608 7.53510192 6.21847689 -0.00002623 0.00101979 0.00630586 0.01196974 -0.02096665 0.03197429 -0.00077184 -0.00473640 0.00232015 +H 3.11065338 4.14876405 5.32539697 0.00765141 0.00367174 -0.00091957 0.04864733 0.12969367 -0.01195829 -0.00201060 -0.00150012 -0.01105570 +C 3.98015703 7.85610590 6.33736413 0.00570935 -0.00786936 -0.00511359 0.00146389 -0.02063475 -0.02881779 -0.00328526 0.00069487 -0.00332081 +H 1.83953240 8.18516454 6.40540978 -0.01983431 0.02000693 -0.01483809 -0.02271161 0.08864638 -0.06279637 0.04537741 -0.02637845 -0.00380616 +C 5.00236509 6.92057457 6.08768342 0.00014023 0.00786184 -0.00722821 0.02995971 -0.00157307 -0.04896471 0.00667090 -0.00848911 -0.00606581 +H 4.12677344 8.89128590 6.62604962 0.00333567 0.00595690 -0.00425890 0.12391062 -0.06849664 -0.05261970 0.02589724 -0.01016674 -0.00745305 +C 4.71659962 5.56678908 5.71548803 0.00134417 -0.00846432 -0.00218170 -0.00025918 -0.01987954 -0.01846563 0.00170459 0.00501731 -0.00265411 +N 6.31924498 7.31639813 6.31409335 0.00237268 0.00329694 0.00444886 0.01102105 0.02500452 0.02569867 0.00031619 0.00126657 0.00130290 +C 3.35050840 5.21153179 5.58883794 0.00706666 0.00726112 -0.00253569 0.01810217 0.05670144 -0.00685188 -0.00325012 0.00921967 0.00072967 +H 5.38670908 4.77220984 5.46409103 0.02011351 -0.00632806 -0.01180574 0.11488007 0.06566493 0.01845848 -0.00267038 0.02039839 0.01599460 +C 7.49657654 6.82121297 5.88165457 0.00363196 -0.01084601 0.00093320 -0.01145231 -0.02120150 0.01815170 -0.00620821 0.00612927 0.00460620 +H 6.35471300 8.23588915 6.80827324 -0.02292769 0.00076627 -0.00764017 -0.02731671 0.02009432 -0.04171210 0.01804430 0.02589587 0.00787599 +O 7.55864186 5.82423553 5.21591194 -0.00012912 0.00501514 0.00359958 0.00933250 0.00267269 0.00975022 0.00268544 -0.00467501 -0.00106041 +C 8.68500236 7.72920178 6.00990799 -0.00507669 0.00167448 -0.00118321 -0.02222574 -0.01591513 0.00354038 -0.00108946 -0.00505000 -0.00098008 +H 9.26409249 7.39077848 6.90619703 -0.01336093 -0.00761766 -0.00215758 -0.09662917 0.01972616 -0.00244812 0.00020230 0.00736094 0.02059418 +H 9.30564972 7.50007285 5.17756358 0.00922922 0.00234574 0.00047967 0.05592244 0.14185934 -0.01609492 -0.00645618 0.03031675 0.01101417 +H 8.36103885 8.78155531 6.15114699 -0.01333279 -0.02006030 -0.00546112 -0.03856589 -0.01937145 -0.07915749 -0.00031262 0.01565378 -0.01078908 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95739025 5.77712815 5.70934796 -0.00046981 -0.00130222 -0.00031518 0.01647942 -0.00259460 0.00780803 0.00571790 -0.00082050 0.00249579 +C 2.27713314 6.15095280 5.90755931 0.00885569 -0.00188381 -0.00026206 0.04450205 -0.01280240 -0.00802437 -0.00032838 0.00188547 -0.00094883 +H 0.82077379 4.87507049 5.74053607 0.00127323 -0.00647062 -0.00767016 0.01364788 -0.02190379 -0.07225379 0.00556971 0.02142051 -0.01284667 +C 2.66205306 7.45444258 6.28390562 0.00003466 0.00794779 0.00216226 -0.01417701 0.03828028 0.00629542 -0.00249934 0.00060983 -0.00110797 +H 3.08490866 4.19683452 5.40761578 0.01083362 -0.00188494 -0.01053758 0.03328945 0.00778692 -0.13089387 -0.00321171 0.02312282 -0.01661859 +C 4.00924120 7.84480255 6.29428206 -0.00437225 0.00136403 -0.00125663 -0.01846780 0.01238662 -0.00092882 -0.00048650 0.00164175 0.00143178 +H 1.87008789 8.17465079 6.53802482 0.01693477 0.01341169 0.01071063 0.07903977 0.09770640 0.02663569 -0.00733220 0.01600822 -0.00129264 +C 5.03045638 6.91845904 6.05998808 -0.00083201 -0.00156290 0.00152439 -0.00548936 -0.02087749 0.00717985 0.00033448 -0.00333908 0.00055815 +H 4.29694266 8.87585935 6.46486755 -0.01353403 -0.00175763 0.00853232 -0.11061747 0.00681281 0.11924146 -0.01075828 0.00317066 0.02103919 +C 4.67050214 5.61104314 5.66062226 -0.00291836 -0.00544718 -0.00358112 -0.00578180 -0.02950983 -0.02110859 -0.00014985 -0.00099843 -0.00114394 +N 6.33494136 7.34354449 6.21823528 0.00899110 -0.00090022 0.00435185 0.03598431 -0.00248034 0.01555945 0.00005988 0.00181807 0.00059168 +C 3.32454889 5.20100842 5.60838592 -0.00290803 0.00390867 -0.00089265 -0.02029163 0.02561988 -0.00389309 -0.00019896 -0.00054794 -0.00207595 +H 5.46293837 4.92539658 5.35652182 0.01529199 -0.00385055 0.00053790 -0.05207705 -0.06258577 0.06236333 -0.01489474 -0.02226084 0.00952511 +C 7.46705239 6.80278737 5.76629602 -0.00037513 0.00174795 -0.00486452 0.02298268 0.03426084 -0.00146089 0.00549701 0.00290421 0.00388044 +H 6.40734120 8.22901624 6.62185201 0.01645255 0.00920028 -0.00513279 0.12033011 0.05315572 -0.05570050 0.00850778 -0.01541984 -0.01648319 +O 7.65082150 5.63297230 5.52108063 0.00191226 -0.00211334 0.00375482 0.02012772 -0.01486945 0.01549046 0.00366139 -0.00047274 0.00091102 +C 8.62260052 7.87381150 5.93829532 -0.00937670 -0.00333486 -0.00473896 -0.05912716 -0.02899560 0.00090932 -0.00708949 -0.00249423 -0.00247678 +H 8.77566820 8.12094179 7.06047710 -0.01525186 0.02268140 0.01685601 -0.17104252 0.05324495 -0.16726496 -0.01992879 0.00684177 0.00272627 +H 9.63807739 7.64947170 5.61776294 -0.02383683 0.03066171 -0.00263051 -0.06822785 -0.03308520 -0.09954790 -0.00468154 -0.03163355 -0.01772052 +H 8.48289683 8.79890651 5.41399639 -0.01429441 -0.02791544 0.01617475 -0.25991581 -0.00827466 -0.01798571 -0.04433377 -0.00195431 -0.00818558 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01586291 5.84634407 5.74832033 0.00616531 0.00201636 -0.00088786 0.03136275 0.01897812 -0.00949008 0.00271338 0.00166833 0.00049272 +C 2.34231862 6.06385614 5.97279840 -0.00446151 -0.00044800 0.00490037 -0.01309411 -0.01704473 0.05108444 0.00188590 -0.00281486 0.00747091 +H 0.69996865 6.33137386 4.96990808 0.02688286 0.01421678 -0.02181933 0.18590448 -0.00576134 -0.01803455 0.01164806 0.00658290 -0.02129483 +C 3.01799643 5.51442970 7.10236912 -0.00349459 -0.00035980 0.00817235 -0.03836990 0.00627035 0.04278733 -0.00732950 0.00119459 0.00354334 +H 2.50483496 6.99316918 4.15491292 0.00030518 -0.01334507 -0.02874984 0.12539595 -0.04816803 -0.09409050 0.03291104 -0.00322068 0.01566248 +C 4.41238720 5.69474827 7.20923270 -0.00718169 -0.00003963 -0.00965392 -0.03597098 0.00564491 -0.04197875 -0.00237469 0.00099138 -0.00106436 +H 2.48948703 5.07023307 7.92637810 -0.01042879 -0.02756304 -0.00114586 -0.04356107 -0.16488590 -0.07160184 0.00167168 -0.01215922 -0.01535248 +C 5.14715794 6.37351274 6.22010733 -0.00461743 0.00119364 -0.00558176 -0.00580627 0.01206497 -0.03951417 0.00255504 0.00107130 -0.00301707 +H 4.93422561 5.44366475 8.09005922 -0.00261566 -0.00412140 0.00741717 -0.08167168 -0.09641652 -0.03475455 -0.01899970 -0.01843072 -0.02546859 +C 4.47491320 6.87108146 5.05688434 0.00036235 0.00354000 0.00111301 -0.02998942 -0.00027568 0.02260269 -0.00783624 -0.00232906 0.00434249 +N 6.54163204 6.57362954 6.41662492 0.00091619 -0.00297535 0.00203832 -0.00759406 0.00023584 0.00370515 -0.00199428 0.00307869 -0.00070287 +C 3.06249302 6.72298255 4.99533454 0.00096018 -0.00537744 0.00514482 0.00709327 -0.03237981 0.00354639 -0.00046329 -0.00429963 -0.00398891 +H 4.96632022 7.20285629 4.13993913 0.00758713 0.00709697 0.02242325 -0.05645337 0.13540370 0.08376163 -0.01831790 0.03038497 -0.00363901 +C 7.32758558 7.37287918 5.65321074 0.00397658 0.00531160 0.00569218 0.01988681 -0.00724086 0.03914011 0.00016557 -0.00593398 0.00116514 +H 6.93468568 6.23713750 7.28193261 0.02229002 0.00593617 -0.00999585 0.09974355 -0.01148519 -0.04716742 -0.00520612 -0.01027266 -0.00513256 +O 6.98470956 7.75433582 4.55336301 0.00130318 -0.00238206 -0.00258421 0.03628383 -0.00085431 -0.01355025 0.00893757 0.00142336 0.00035436 +C 8.75913567 7.53466742 6.21094365 -0.00137956 -0.00224484 -0.00455838 0.00382855 0.01905607 -0.05429492 0.00077438 0.00496662 -0.00567605 +H 8.69359339 8.24079429 7.04220485 -0.00985133 -0.00167977 -0.00565616 -0.01964777 -0.06142969 -0.00448612 0.00119284 -0.01239966 0.00507084 +H 9.27923175 6.60481754 6.45904967 -0.00079347 0.00864321 0.00709382 -0.04691471 0.02454697 0.06533121 -0.00972414 0.00169033 0.00337482 +H 9.39653906 8.01608953 5.40390158 0.02404490 0.03919215 -0.00508613 -0.02968936 0.10294235 0.15674483 -0.00197864 0.01121298 0.01002930 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94811953 5.83455944 5.88832795 0.00001416 -0.00180299 -0.00334993 0.00537696 -0.01786022 -0.02094717 0.00341585 -0.00113896 -0.00523316 +C 2.27870546 6.09367848 5.74100276 0.01116492 -0.00155964 0.00219016 0.05932105 -0.02316718 0.02612857 0.00248953 -0.00569548 0.00471051 +H 0.72579347 5.35057914 6.69875205 -0.04511697 -0.02779704 -0.00817122 -0.19273013 -0.06192838 -0.19829635 -0.01818325 -0.01641070 -0.00838745 +C 2.89900416 6.20386075 4.48996081 -0.00287377 0.00491484 0.00541807 -0.00812854 0.02665954 0.00342740 0.00377428 0.00270570 -0.00136491 +H 2.73427867 5.90180622 7.88139645 -0.01929772 0.04685744 0.01624626 -0.09779648 0.35271688 -0.05281963 -0.01383881 0.04021898 -0.00394995 +C 4.29601426 6.48599687 4.34346285 0.00096627 0.00237974 -0.00200077 -0.00351262 0.02304490 0.01051052 -0.00262715 0.00382335 0.00473637 +H 2.23933849 6.02221947 3.61305175 -0.00665791 -0.03072001 -0.00161108 0.06353902 -0.05373948 0.06164300 0.00135294 0.01085987 -0.00937371 +C 5.08167792 6.57460302 5.53128976 0.00022169 0.00112920 0.00123762 0.00021799 0.01388072 0.00459288 -0.00087945 0.00202281 0.00075337 +H 4.76322145 6.74529423 3.40091414 0.01104934 0.01138423 -0.00132818 -0.01824562 -0.05279901 -0.00750164 -0.01343094 -0.02340232 -0.00207297 +C 4.49810496 6.41920345 6.77661843 0.00297546 -0.00064772 0.00008076 0.00333250 -0.01180432 0.03176808 -0.00247860 -0.00215321 0.00669992 +N 6.41822683 6.91730235 5.45851153 -0.00461494 -0.00427274 -0.00050873 -0.01116757 -0.02618891 -0.02420963 0.00340161 -0.00214160 -0.00710005 +C 3.11203828 6.14681153 6.86634332 0.00204832 -0.00049156 0.00040712 0.01998091 0.00070581 0.03499482 0.00382213 0.00210093 0.00729067 +H 5.08133081 6.45174955 7.68756077 0.00449554 0.02042313 0.03680353 -0.09792250 0.11747292 0.02325159 -0.01513080 0.01353044 -0.01176246 +C 7.40972012 7.19111599 6.32958915 -0.00185492 0.00675747 -0.00679120 -0.01519513 0.02626038 -0.02577083 -0.00292224 -0.00030876 0.00125438 +H 6.72278787 6.76529007 4.52628351 0.00983211 -0.00078223 0.00688852 0.08664254 0.09471310 -0.02145280 0.00151225 0.02436848 -0.00226722 +O 7.37143997 6.94941118 7.53090876 -0.00606661 -0.00404881 -0.00016864 -0.04245065 -0.01787197 -0.01051674 -0.00589768 -0.00065699 -0.00371952 +C 8.72256846 7.67644998 5.71431934 0.00214623 0.00254080 -0.00021273 0.01916164 0.00154132 0.01218567 0.00236638 -0.00221317 0.00128074 +H 9.49168067 6.91633768 5.87663927 0.00667647 -0.01048571 -0.00384566 -0.04917093 -0.05192963 -0.12186873 -0.01561604 -0.01100238 -0.02572768 +H 8.58218896 7.94611392 4.67184720 -0.00558290 -0.00708061 0.01836068 0.01516401 -0.00998183 -0.02080358 0.01090506 0.00513644 -0.00947788 +H 9.12740241 8.56139879 6.25475973 0.02851186 -0.02855641 -0.00434736 0.13833947 -0.08410264 0.00786036 0.01231292 0.01160372 0.01158346 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00298930 5.71859840 5.78350935 0.00450362 0.00139236 -0.00200813 0.01641399 0.00331992 -0.00570482 -0.00133416 -0.00068813 -0.00148666 +C 2.32076564 5.96365362 5.97625581 -0.00418172 0.00083232 0.00183004 -0.01088143 0.03032853 0.01952255 0.00262926 0.00649990 0.00030147 +H 0.75970565 5.56354768 4.91928442 -0.01608157 0.02219785 0.00603572 -0.06965395 0.13836039 -0.02802902 0.01020908 0.02153158 0.02013135 +C 2.77711283 6.45415961 7.24572838 -0.00414628 -0.00833557 -0.00030702 0.00713262 -0.05850713 -0.01108164 0.00814694 -0.00736522 -0.00597644 +H 2.95257188 5.60578765 3.90430506 -0.00993523 -0.02461271 0.00373301 -0.13505083 -0.10863028 0.07340966 -0.02041809 -0.00739986 0.00729371 +C 4.15524065 6.87904116 7.32661454 0.00070687 -0.00078561 0.00131948 -0.02952297 -0.01278526 0.01056980 -0.00710575 -0.00208568 -0.00027023 +H 2.15301429 6.44172068 8.23904966 -0.00557274 -0.00623075 -0.00900560 -0.04642658 -0.00900326 -0.21501289 -0.04016184 0.00380502 0.00758579 +C 5.04329060 6.83381686 6.21518670 -0.00215234 0.00549329 -0.00083714 0.01302173 0.04243619 0.01745430 0.00467824 0.00588181 0.00576594 +H 4.43582528 7.16850609 8.36261247 -0.01399397 0.01782418 -0.00994050 0.01595757 0.14919556 -0.10072755 0.01627860 0.02348656 0.00052981 +C 4.57469423 6.32128366 4.98581909 0.00354144 0.00206458 0.00428509 -0.01026880 0.01355329 0.03983971 -0.00671300 -0.00008268 0.00412904 +N 6.39475301 7.23209826 6.43474555 0.00826168 0.00376360 0.00093120 0.02699420 0.00997869 -0.02174630 -0.00103028 0.00059347 -0.00399637 +C 3.20435274 5.97773525 4.89338121 -0.00347269 -0.00289033 -0.00022466 -0.00320483 -0.03510561 -0.01505321 0.00128956 -0.00606135 -0.00047812 +H 5.26384852 6.26527297 4.15858588 -0.01566987 -0.03094405 0.00789944 -0.13544457 -0.20794560 -0.04390212 -0.01388413 -0.01583271 -0.00248367 +C 7.45217040 7.07424007 5.58360833 0.00100877 -0.00000359 -0.01107869 -0.02135549 0.00035881 -0.03092889 -0.00464765 0.00096592 0.00419389 +H 6.57950240 7.59319350 7.31833979 0.00310293 0.00888477 -0.00333054 0.07796304 0.07769291 -0.00068901 0.01057669 -0.00305171 -0.03001245 +O 7.40669620 6.57782408 4.45060849 -0.00006337 0.00397890 0.00351795 0.00743400 0.02538958 0.01177284 0.00144143 0.00247855 -0.00187825 +C 8.70218686 7.50321998 6.21861792 -0.00288878 -0.00601898 0.00072015 0.01112622 -0.03695833 -0.00648277 0.00542325 -0.00162589 -0.00148628 +H 8.57361254 8.53376380 6.40946238 -0.01445885 -0.01564596 0.00279460 0.00253273 0.02058691 0.04598639 0.02020668 -0.00719947 -0.00272462 +H 8.93325134 6.92071412 7.13497219 0.00530943 0.02900512 -0.00618143 -0.02358459 0.12574395 0.08246975 -0.01471903 -0.00032105 0.02856390 +H 9.54253088 7.36291716 5.55402059 0.02006078 -0.02311599 0.02224239 0.08381051 -0.10496564 0.10829688 0.00042732 -0.00553119 0.00642666 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00651257 5.69301043 5.69776787 0.00287713 0.00135545 -0.00161998 0.01246032 0.01713960 -0.00803373 -0.00162961 0.00189215 -0.00123716 +C 2.31384377 6.11381480 5.85543935 -0.01164948 -0.00020906 0.00226213 -0.07334756 0.00109507 0.02146001 -0.00116816 0.00058169 0.00369058 +H 0.93449116 4.79459406 5.35336454 0.01001319 0.02360623 -0.00170332 0.05321431 0.02631065 -0.06757506 0.00486563 -0.00334941 -0.01178563 +C 2.56918702 7.40558677 6.33201383 -0.00491917 -0.00272775 0.00019019 -0.00786210 -0.00065695 0.00216867 -0.00164227 0.00378488 0.00205419 +H 3.15755879 4.21495341 5.30843608 0.00184148 -0.00302349 0.00335740 0.02560132 0.05540775 -0.00453471 0.00922301 0.01560420 -0.00472055 +C 3.94159087 7.83503438 6.49554566 -0.00061057 -0.00176665 0.00142638 -0.01520463 -0.00788508 -0.00077664 -0.00299652 -0.00054010 -0.00224093 +H 1.80224276 8.09573899 6.42524107 -0.01240600 -0.01011465 0.02188807 -0.09780983 -0.05648411 0.21527369 0.01669722 -0.02388108 0.02510228 +C 5.00193588 6.99864937 6.08053928 0.00073432 -0.00066300 -0.00564979 -0.01017601 -0.01536736 -0.01954817 -0.00161271 -0.00251925 0.00064540 +H 4.18798131 8.80480186 6.85975651 0.01324738 0.01560296 -0.00338242 -0.01774662 0.01103770 -0.04302729 -0.01820245 -0.01535450 -0.00585319 +C 4.61960761 5.69620523 5.67925850 -0.00136048 -0.00266769 -0.00301590 0.06018406 -0.00991455 -0.03319658 0.01467251 0.00204168 -0.00534908 +N 6.32859765 7.40795116 6.24462554 0.00180214 -0.00410221 -0.00082687 0.01941413 -0.01436764 -0.00063811 0.00255443 -0.00112263 -0.00033834 +C 3.31398489 5.23439448 5.58536715 0.01418287 0.00867750 0.00367672 0.06737882 0.03510545 0.02015108 0.00027364 0.00181517 0.00196046 +H 5.46156712 5.05626957 5.38929542 0.03286086 0.00511581 -0.02393633 -0.08276554 -0.02792635 -0.08623411 -0.01623984 -0.03204453 -0.01090169 +C 7.50717695 6.86261103 5.86798644 -0.00190797 -0.00906465 0.00042288 -0.01391339 -0.07209461 -0.02221947 -0.00094654 -0.00433469 -0.00318917 +H 6.44953839 8.26005462 6.73577284 0.01654640 0.01818157 -0.00528117 0.05404954 0.03078734 -0.11447700 -0.00129855 -0.00686670 -0.02342586 +O 7.59238597 5.72415863 5.27945707 -0.00412710 0.00274351 0.00507392 -0.02273520 0.02988452 0.04419978 -0.00228495 0.00167014 0.00550375 +C 8.76634690 7.71176398 5.94797076 0.00085246 -0.00073505 -0.00119125 0.00038359 -0.00295459 -0.00305052 -0.00080712 0.00073537 0.00168455 +H 8.93981621 8.09312954 6.90431231 -0.00426795 0.00529507 0.00062260 -0.11652114 0.14152980 0.03295780 -0.02878374 0.01454040 -0.02244404 +H 9.65710441 7.08207423 5.88568695 0.00061675 0.04199279 0.00001872 0.09604891 0.10905866 -0.07820115 0.01507747 -0.00582275 -0.01641596 +H 8.86007614 8.42615107 5.14986386 -0.00791347 0.00439267 -0.01252937 -0.10945240 0.02950470 -0.00215797 -0.02349016 -0.00241147 0.01629187 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.09692170 5.59848981 5.85485650 0.00084048 0.00358709 0.00193667 -0.01048723 0.02714687 0.00430061 -0.00381038 0.00498189 -0.00182747 +C 2.32257667 6.12972554 5.72546127 -0.00237806 0.00491581 -0.00086733 -0.02007182 0.02036983 0.00133017 -0.00283942 0.00095604 0.00160381 +H 1.01698570 5.00150337 6.62673954 0.01846539 -0.00392528 -0.00526636 0.09863357 -0.00682769 -0.05111208 0.00534984 -0.01429649 0.00964377 +C 2.86161399 6.58927497 4.52436023 -0.00635770 -0.00109684 0.00201482 -0.03113927 0.02115825 -0.00454890 -0.00020542 0.00531763 -0.00175892 +H 2.80514422 5.37017442 7.65983994 -0.01044309 -0.02017972 0.00460839 -0.08712832 0.03236138 0.00703659 -0.01272801 0.02285992 0.00415562 +C 4.22772199 6.90061573 4.45718323 0.00511673 -0.00776562 0.00292943 0.02394628 -0.03239043 0.01174091 -0.00117691 -0.00197169 0.00036309 +H 2.26122532 6.98115307 3.68914618 -0.01267171 -0.01523653 -0.01776969 -0.06800898 -0.30401158 -0.02209505 -0.01174645 -0.05466866 -0.00358933 +C 5.06668462 6.78890933 5.60307806 0.00176971 0.00096472 -0.00092863 -0.00991324 -0.01801638 0.00409085 -0.00252431 -0.00538102 0.00241244 +H 4.58480936 7.37991842 3.54904576 0.00932366 -0.00352022 -0.00861819 0.06422198 -0.11878816 0.02083785 0.01307214 -0.02411623 0.00176224 +C 4.49592874 6.19645188 6.76341980 -0.00035608 -0.00528876 -0.00256744 0.00559103 -0.02286181 -0.00514979 0.00199141 -0.00149362 0.00200498 +N 6.38485975 7.05511211 5.45890197 0.00236717 0.00738063 0.00471714 0.01629351 0.04965407 0.01290844 0.00064957 0.00582910 -0.00024361 +C 3.13235661 5.95679435 6.81944612 -0.00483389 -0.00186316 -0.00175583 -0.01758139 -0.04323578 0.00630153 0.00050172 -0.00914964 0.00250378 +H 4.98149398 5.91307179 7.65427784 0.01463948 0.00021411 0.01524607 0.14431923 0.06325697 -0.04598343 0.01127133 0.01543870 -0.03288562 +C 7.39434856 7.11816969 6.30263308 0.00427317 -0.00466278 -0.00594579 0.02078178 -0.04353026 0.02249841 0.00179653 -0.00650136 0.00831393 +H 6.70294971 7.15086982 4.49582361 -0.01263220 0.00213832 0.00408554 -0.07425659 0.06839384 0.00148061 0.00016675 0.01952143 -0.00932916 +O 7.33157854 6.96801564 7.57368248 -0.00513801 0.00222107 -0.00082704 -0.03277352 0.01898038 -0.03961798 -0.00391917 0.00270320 -0.00811755 +C 8.69959102 7.31043118 5.62378737 0.00177144 0.00057166 0.00215444 0.03318147 0.00565955 0.00787566 0.00906482 0.00195758 0.00251106 +H 8.91800982 8.35721866 5.76171551 0.00839382 0.00163231 0.02914931 0.10431973 -0.01503619 0.09932933 0.01545339 -0.01103221 -0.00061136 +H 9.42633176 6.69977788 6.14595698 0.02529797 0.00387849 -0.03201061 0.16546452 0.01899620 -0.17964549 0.01037747 0.00137439 -0.01712550 +H 8.66185445 6.97661951 4.55657217 0.00679523 0.00975115 -0.01340812 0.05552188 0.18418678 0.02539112 0.00369661 0.03576262 -0.00472402 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.06088486 5.66206716 5.78674734 -0.00321759 -0.00594507 -0.00261122 -0.04718409 -0.04433038 -0.02073916 -0.00648936 -0.00656255 -0.00114773 +C 2.32777180 5.93708826 5.90792663 0.00001252 0.00946638 -0.00329929 0.01519891 0.06261520 0.01595923 0.00062021 0.00758863 0.00631798 +H 0.61475982 5.92529201 4.96000702 -0.00206337 -0.00641841 -0.01344403 0.05519420 -0.05815713 -0.03322436 -0.00145433 -0.00114552 -0.02779101 +C 3.00460091 5.66175989 7.13161487 0.00219745 -0.00319283 0.00063347 0.01759563 -0.00748375 -0.01956892 0.00255891 0.00081799 -0.00328911 +H 2.45655887 6.94329316 4.05926223 -0.01118188 -0.02231526 -0.00795686 -0.05385787 -0.12568766 -0.11856507 0.01609917 -0.01242561 0.00279814 +C 4.40285078 5.90406580 7.25752814 0.00596210 0.00342249 0.00174311 0.00029853 0.01630306 0.03018834 -0.00508750 0.00024989 0.00726643 +H 2.34737380 5.34892056 7.90835587 0.00880979 0.01231095 -0.00108342 0.11732265 -0.07656518 0.08649290 0.02982202 -0.02603378 0.00049284 +C 5.05841505 6.58580861 6.23893924 0.00220505 -0.00040985 0.00359619 0.03613367 -0.01074290 0.00215614 0.00745288 -0.00290885 -0.00095202 +H 4.90523304 5.68098105 8.14581617 -0.02036729 -0.03163181 0.01983161 -0.10467553 -0.14652005 0.08216902 -0.01179104 0.00306689 -0.01849642 +C 4.33461007 6.83477146 5.00583385 0.00582126 -0.00027976 0.00217351 0.06654537 0.02460378 0.02230810 0.00893231 0.00586336 0.00527170 +N 6.45105638 6.79035712 6.45684608 0.00094963 -0.00265193 0.00208154 0.01287541 -0.01948870 0.00824635 0.00335217 -0.00275792 0.00010496 +C 2.96959995 6.60439136 4.90076279 -0.00215736 0.01062365 -0.00062040 0.00505290 0.06924813 -0.02031969 0.00401148 0.00863005 -0.00623606 +H 4.83012913 7.33422276 4.15475014 0.03611424 0.00783813 -0.00114070 0.10721863 -0.05426126 0.10115540 0.00576308 -0.00862261 -0.00070036 +C 7.42040404 7.29902079 5.66950088 0.00288304 0.00165357 0.00553253 -0.01239604 0.02801112 0.00593914 -0.00662816 0.00504110 -0.00325058 +H 6.83270329 6.46916960 7.34580250 0.01122542 -0.00936547 -0.01542554 0.02540058 -0.11259133 -0.04003030 -0.00314434 -0.02139351 0.00616395 +O 7.12237828 7.90457374 4.61001357 -0.01229741 -0.00581545 -0.00587471 -0.06358788 -0.05231805 -0.01880085 -0.00518275 -0.00860972 0.00049633 +C 8.89308367 7.19147583 6.14013839 0.00035218 0.00191276 0.00255908 -0.00406187 0.00718164 0.00580397 -0.00309697 0.00357416 -0.00009625 +H 9.15143580 6.18870408 6.59106342 0.01602073 0.00930567 0.00095135 0.04731131 0.06622931 -0.05542443 0.00256141 -0.01629354 -0.00425253 +H 9.61222200 7.41763742 5.31816783 -0.01027714 0.00043382 -0.00700036 -0.10754224 -0.01293368 -0.02346924 -0.00576000 0.00104188 -0.01315322 +H 9.08705138 7.90705721 6.92605550 -0.00108032 -0.01304427 -0.01574785 0.01096812 0.06446933 0.00787037 0.00216343 0.01710143 0.00385821 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97059266 5.65209777 5.87587793 0.00211339 -0.00223311 -0.00281603 0.02147340 -0.01571196 -0.02793277 0.00248396 -0.00175333 -0.00237469 +C 2.29727843 6.04987663 6.02252473 -0.00961822 0.00241900 0.00259954 -0.04835920 0.00495500 -0.01666976 -0.00056268 -0.00025663 -0.00534167 +H 0.85726197 5.38341910 4.94284232 0.00494521 -0.02889213 -0.00937544 -0.01721688 -0.15749067 0.08029669 -0.01207843 -0.03107825 -0.01191023 +C 2.92212318 5.94682916 7.25006956 -0.00144469 0.00288645 0.00535876 -0.02679848 0.03218195 0.02610177 -0.00441964 0.00727994 -0.00154479 +H 2.60155243 6.45475959 3.86220019 -0.01087279 -0.01617192 0.00250139 -0.03627427 -0.11575540 0.04823830 -0.00162659 -0.00972084 -0.00341255 +C 4.25788700 6.33738620 7.30363285 -0.00239355 -0.00416350 -0.00546195 0.00437727 -0.03418828 -0.00070561 0.00510334 -0.00449638 0.00287207 +H 2.28614136 5.62638660 8.13466410 0.00917187 0.01834296 0.00239149 0.11369480 0.13838878 0.06445871 -0.00133217 0.00956076 0.03950120 +C 5.02361733 6.61284877 6.21741245 0.00467294 -0.00153190 0.00016159 0.05854897 0.01669548 -0.04305947 0.00859679 0.00452713 -0.00805492 +H 4.80542999 6.40834337 8.23138158 0.01341093 0.01635592 -0.02284142 -0.00776540 -0.00171167 0.00233514 -0.01452166 -0.01809933 0.02396292 +C 4.43156972 6.78412994 4.94427666 -0.00576731 0.00256383 0.00528549 -0.04308550 -0.00369478 0.03206751 -0.00623969 -0.00319814 0.00624341 +N 6.39617456 6.86727007 6.39869689 0.01104908 0.00233456 -0.00267872 0.05221976 0.00767003 0.00080172 0.00403642 -0.00012575 0.00279566 +C 3.06845391 6.37673245 4.85185541 0.00204466 0.00155475 -0.00091593 -0.01534799 0.02022047 0.00813647 -0.00782982 0.00269823 0.00456366 +H 4.98745888 7.05504409 3.97987324 -0.00298468 0.01644232 0.00787013 -0.06773403 0.09077768 0.18375466 0.00674637 0.02002747 -0.00461902 +C 7.41955698 7.16680131 5.59965089 -0.00081054 -0.00473338 -0.00751858 0.04091163 -0.02337522 -0.03363996 0.01075632 -0.00234528 0.00067033 +H 6.68312838 6.77159974 7.32445599 -0.00129532 0.00060954 0.01465833 0.01635196 0.04309284 0.03920520 0.00398970 0.01254176 -0.01912988 +O 7.42452985 7.21557979 4.36824067 0.00037721 0.00162085 0.00188195 -0.00809834 0.00966843 0.00299010 -0.00236043 0.00115501 -0.00232886 +C 8.79159036 7.47903369 6.29999791 -0.00366195 -0.00005997 0.00388332 -0.03872900 -0.01340915 0.02000274 -0.00533985 -0.00150683 -0.00131573 +H 9.17330922 8.38496184 5.90805982 -0.01888285 -0.00828325 -0.01216600 -0.09793361 0.03923300 -0.07561986 -0.01378704 -0.00629991 0.00660718 +H 8.67027772 7.64500147 7.40206987 -0.00659064 -0.00021690 0.01442507 -0.01814530 -0.04550275 -0.03457110 -0.00627611 -0.00374171 0.00223984 +H 9.55114942 6.74940156 6.03011620 0.02234287 -0.00822246 0.01416416 -0.00689394 0.00563274 0.16919186 -0.01993643 0.00585742 0.02529802 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98751489 5.81138863 5.89681594 -0.00411627 0.00157802 -0.00249557 -0.01421153 0.00353974 -0.01932249 0.00058802 -0.00121500 -0.00331487 +C 2.32466316 6.14098485 5.90046092 0.00125878 0.00796752 -0.00304732 -0.00018706 0.00650391 -0.02859064 -0.00182771 -0.00422054 -0.00379786 +H 0.79445810 4.94725204 5.67057657 0.00639266 -0.01173471 -0.00716305 0.05773777 -0.01315296 -0.03670765 0.00891762 0.01687636 -0.00073667 +C 2.64913383 7.39128976 6.29736177 -0.00397705 0.00319042 0.00598315 -0.00779467 0.02777956 0.04195373 -0.00036477 0.00504944 0.00570931 +H 3.11900811 4.16471630 5.48155957 0.00489191 -0.02774051 0.02613333 0.06836011 0.03261702 0.04159607 0.00706864 0.02182154 -0.01517563 +C 3.99186462 7.75140530 6.34737801 -0.00012292 -0.00019629 0.00031619 -0.00781960 0.00576331 -0.00347784 -0.00023197 0.00381623 -0.00054595 +H 1.84329479 8.00686778 6.62730416 0.02264629 -0.01320486 -0.00382891 -0.00342702 0.14377962 0.04453932 -0.00135149 0.02837443 0.00638143 +C 4.98923238 6.90661135 5.89806303 0.00045523 -0.00591833 -0.00303869 0.02608861 -0.02739998 0.00028625 0.00551253 -0.00172460 0.00340158 +H 4.27322625 8.70605611 6.68515450 -0.00784487 -0.01067615 -0.00854389 -0.05534430 0.08642711 0.00392470 -0.01056532 0.00330860 -0.00151123 +C 4.71068269 5.58436767 5.57352464 0.00744558 -0.00944609 0.00370894 0.02539961 -0.05224242 0.00648955 0.00149996 -0.00593309 -0.00248528 +N 6.24657012 7.44879650 6.07048594 0.00288658 -0.00440835 0.00029673 0.01990820 -0.03085292 0.00054343 0.00084063 -0.00469642 -0.00070887 +C 3.37027120 5.20101456 5.58768764 0.00900155 0.00504461 0.00250686 0.01561704 0.01171577 0.03069057 -0.00411244 -0.00137849 0.00576260 +H 5.39788488 4.89581174 5.15420962 -0.03060432 -0.00174030 -0.01540580 0.03538662 -0.13108044 -0.01544612 0.02032027 -0.01223175 0.02484066 +C 7.46617869 6.90459560 5.81840691 -0.00726023 0.00717047 -0.00475288 -0.04508969 0.03517257 -0.03483427 -0.00128465 0.00093302 -0.00555084 +H 6.21665990 8.36775552 6.57873522 0.00191377 -0.01906286 0.00079694 0.08312234 -0.07383847 -0.00957078 0.01703575 0.02176534 0.01012100 +O 7.60140040 5.81747605 5.29547638 -0.00127412 0.00462686 0.00210048 -0.00666439 0.02500301 0.00791215 -0.00096479 0.00249698 -0.00009955 +C 8.69049942 7.66356716 6.23859056 -0.00372755 -0.00529343 -0.00297304 -0.00161737 -0.01105990 -0.01095256 -0.00069227 0.00148224 0.00192881 +H 8.74366204 7.85936196 7.29658600 -0.01140295 -0.01668849 0.01317906 -0.13442177 -0.10291151 0.00440444 -0.02189128 -0.00999989 -0.01453162 +H 9.63208407 7.07037255 6.01945237 0.01481722 0.02570293 0.01025128 -0.00282554 0.11459704 0.04044433 0.01024558 -0.01232924 -0.00583690 +H 8.83793608 8.62585483 5.68181330 0.00801334 0.00790437 0.00218058 -0.04866415 -0.03585262 0.08172267 -0.01759226 0.01087045 0.00779751 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01744997 5.65940735 5.77745433 -0.00490370 -0.00493921 0.00187877 -0.02384872 -0.01082439 0.00000887 -0.00125692 0.00067574 0.00019643 +C 2.31008872 6.11930662 5.81379784 0.00357363 0.00933571 -0.00838007 -0.00995808 0.04806080 -0.04526750 -0.00553673 -0.00025219 -0.00408796 +H 0.67224337 5.03535596 6.40229692 0.01254853 0.02352533 0.00430452 0.13610817 0.04465153 0.15684335 0.02992813 0.01250661 0.00957764 +C 2.61829806 7.50890090 5.86069236 -0.00961041 -0.00335451 0.00035511 -0.04665767 0.00568943 0.02411754 -0.00201484 0.00557408 0.00538706 +H 3.03868480 4.19328420 5.76346477 -0.00714334 -0.00100176 0.00880839 0.02876300 -0.03159928 0.10530416 0.02354679 0.01157027 0.02206885 +C 3.96195718 7.94765295 6.05518057 -0.00170413 -0.00139728 -0.00014563 -0.03768457 -0.01943761 -0.02489535 -0.00885887 -0.00261693 -0.00537675 +H 1.82861046 8.25520519 5.94633409 -0.00103938 0.01948984 0.01228921 0.00010579 0.01376635 -0.02649400 -0.01165986 -0.00674844 -0.01452941 +C 4.99766011 6.99640994 6.01508665 -0.00287479 0.00652380 -0.00169643 -0.01479074 -0.01000364 -0.00981291 -0.00074857 -0.00800282 -0.00177056 +H 4.20952159 8.99086394 5.95643281 -0.01394873 -0.00651240 0.01762201 -0.10194966 0.01665886 0.22322219 -0.01362591 -0.00387201 0.03664077 +C 4.63817859 5.56989356 5.94303630 0.00045397 -0.00171071 -0.00469624 0.04763637 0.02801856 -0.03332353 0.00928917 0.01158656 -0.00372324 +N 6.31407337 7.46924154 6.11714211 -0.00053089 -0.00574815 0.00046354 -0.01639846 -0.02611917 0.00560346 -0.00270433 0.00059444 0.00183889 +C 3.29950603 5.19845527 5.87795464 0.01237983 0.00392287 0.00614954 0.06679826 0.00720713 0.02856126 0.00282779 -0.00128739 0.00114290 +H 5.40546651 4.73384445 5.82334958 0.01209824 -0.01337322 0.00951706 -0.02163159 0.11043668 0.13485852 0.02217793 0.00390921 0.02145793 +C 7.45414671 6.85512291 5.87444437 0.00147408 0.00672837 -0.00312933 0.04006201 0.02359552 -0.02795858 0.00660298 -0.00147831 -0.00481075 +H 6.44480587 8.40124320 6.35519827 -0.00189163 -0.00326891 0.01422306 -0.05623129 -0.01704287 0.11596473 -0.01522885 -0.02512090 0.00997223 +O 7.62815067 5.75758337 5.37661326 0.00243961 -0.00070183 0.00264986 0.00489131 -0.00829505 0.01718959 -0.00065834 -0.00124376 0.00213595 +C 8.75438057 7.59034209 6.22090903 -0.00135948 -0.00482525 -0.00225993 -0.00231709 -0.03324308 0.00228435 0.00398665 -0.00143390 0.00010750 +H 9.38707636 7.60397182 5.40260566 0.00572913 -0.00322375 0.01537714 0.08783259 -0.00442246 -0.06299791 -0.01149810 -0.00133782 0.00578868 +H 8.60608996 8.58648617 6.54843540 0.00647720 -0.00388664 -0.00131844 0.01509440 0.01460537 0.03023427 -0.00033621 -0.01474734 0.00359021 +H 9.32115227 7.03518517 6.96303944 0.00586114 -0.02373069 0.00532901 -0.07276021 -0.07508054 0.00048410 -0.02142968 -0.00029720 -0.00066528 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95631839 5.93682207 5.80550976 0.00674400 0.00247357 -0.00339253 0.03598389 0.01437433 -0.01557460 0.00080887 0.00095285 -0.00411417 +C 2.30847359 6.05359444 5.95503258 -0.00497388 0.00291289 -0.00788158 -0.04472638 0.03645537 -0.01294363 -0.00191549 0.00733985 0.00314531 +H 0.68366048 5.73015104 4.93965817 0.02640939 0.01641353 0.01015624 0.11721576 0.07496870 -0.08982647 0.01401424 0.01256442 0.00600901 +C 2.83761421 6.44782709 7.19090090 0.00021853 -0.00218122 -0.00386459 -0.01085400 -0.01002123 -0.00965215 -0.00287461 -0.00110269 0.00019836 +H 2.86197009 5.59710582 3.87317644 0.02062411 -0.01104141 0.01239336 -0.03545458 -0.08264770 0.07331365 -0.02577273 -0.01600173 -0.01004063 +C 4.19882995 6.73980702 7.33355312 -0.00124781 -0.00675651 0.00205049 -0.00494954 -0.04213119 0.02906233 -0.00028054 -0.00379004 0.00844392 +H 2.20052225 6.60606784 8.06561768 0.01194913 -0.00555948 0.01156938 0.04028532 -0.06350926 -0.00570014 -0.01175230 -0.00864274 -0.00118568 +C 5.04497698 6.56598216 6.23390190 -0.00134192 0.00446222 0.00905089 0.01898717 0.03903764 0.04996549 0.00652032 0.00530786 0.00265291 +H 4.62602016 7.05196936 8.22966256 -0.00981392 0.00972272 0.02146097 -0.13414530 0.02314801 0.09839345 -0.02780491 -0.01275110 -0.01253771 +C 4.49977962 6.16467874 5.01964524 -0.00235601 -0.00020797 0.00836124 0.00137748 -0.01636833 0.05991428 0.00339065 -0.00384653 0.00828057 +N 6.39505597 6.93112837 6.43154954 0.00409025 0.00156275 -0.01068946 0.03021232 0.01942461 -0.05145623 0.00129376 0.00305048 -0.00443254 +C 3.11211119 5.93215411 4.89464554 0.00066122 -0.00227420 0.00594654 0.04909397 -0.02762468 -0.00667080 0.00915855 -0.00503587 -0.00381456 +H 5.25468403 5.88350933 4.28094993 -0.00501189 -0.01236735 0.01051127 -0.13827660 0.00915710 -0.04386031 -0.01821608 0.01309113 -0.02182735 +C 7.48939097 7.08331033 5.62358695 0.00223128 0.00059057 -0.00792649 -0.01896616 0.00472807 -0.03557399 -0.00620194 0.00139239 -0.00136272 +H 6.65359582 7.26861843 7.37759781 -0.01826890 0.00640974 0.00485066 -0.14119583 -0.00356762 -0.07709837 -0.00157098 0.00755005 0.00632100 +O 7.49278119 6.76391059 4.45542278 -0.00327636 -0.00020120 0.00327169 -0.02050978 -0.00903103 -0.00172837 -0.00251965 -0.00261805 -0.00479683 +C 8.69424699 7.78236328 6.19290947 -0.00451721 0.00078837 -0.00165885 -0.03760728 -0.00507500 0.00381258 -0.00162678 -0.00365193 0.00029240 +H 8.38613775 8.85447439 6.36287887 0.00440823 -0.01314451 0.01289454 0.04401440 -0.07410582 0.18957531 0.00040549 0.01055493 0.03902847 +H 8.99719315 7.23127135 7.05797376 0.01335264 -0.02274897 0.00678320 0.08647397 -0.01486861 -0.04883972 0.00451371 0.01517748 -0.02371566 +H 9.41951208 7.82762277 5.44003916 -0.02057071 0.00629807 0.01124924 0.06336811 0.02691692 -0.03469754 0.00183706 0.00285678 0.00844765 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01804445 5.73658780 5.89091802 0.00094418 0.00181109 -0.00033403 0.00029995 -0.00043614 0.01560920 -0.00018017 -0.00150248 0.00425139 +C 2.33623881 5.96777700 6.01131873 0.00245959 -0.00693510 0.00459089 0.03528502 -0.02317346 -0.01720842 0.00427561 -0.00005976 -0.00941998 +H 0.54231977 6.18221389 5.17756763 0.00565468 -0.01575778 0.00936402 0.04205611 -0.03931521 -0.04519040 0.00934100 -0.00021432 -0.01364765 +C 3.10718389 5.47380198 7.11443156 0.00872493 -0.00202959 -0.00161112 0.02037624 -0.01421236 -0.02822768 -0.00251467 -0.00172794 -0.00546074 +H 2.38972482 7.03078657 4.04666714 0.04192776 0.01207260 0.00073981 0.12217099 0.07045568 -0.09341533 -0.01386191 -0.00198574 -0.01322235 +C 4.45328443 5.79801233 7.17744605 0.00348545 0.00512491 0.00590085 0.01129642 0.02293110 0.02185709 0.00106225 0.00096989 0.00132044 +H 2.64313522 4.80446072 7.81564187 -0.02092200 -0.00215709 -0.00488740 -0.04894704 0.07995777 -0.00379453 0.00926382 0.01912641 0.00447966 +C 5.05660705 6.47426161 6.09794838 -0.00609843 0.00811203 0.00018167 -0.02685143 0.07375236 0.01968483 -0.00106975 0.01169227 0.00609860 +H 4.94194592 5.37932816 8.01553997 -0.00749803 -0.01095717 -0.00789550 0.10480569 -0.00006096 0.02276208 0.01911242 0.02232853 -0.00494857 +C 4.36076161 6.92600203 4.96541496 -0.00481826 0.00016234 0.00110526 -0.04788286 -0.00840686 0.00282464 -0.00880255 -0.00265752 -0.00022520 +N 6.35467629 6.80677574 6.34581380 -0.00145705 0.00005232 -0.00344254 0.00993567 -0.02483535 -0.01096091 0.00243829 -0.00575333 -0.00155765 +C 2.97339869 6.67113571 4.90455672 -0.00902825 0.00116667 -0.00806062 -0.04148095 -0.00675464 -0.00608589 -0.00084541 -0.00194659 0.00447926 +H 4.91182991 7.44096613 4.17653066 0.00061210 -0.02739850 -0.01078457 -0.07519496 -0.13145685 -0.06631258 -0.01598465 -0.00375547 -0.00991457 +C 7.39790629 7.34544265 5.67027230 -0.00337311 0.00140376 -0.00135904 -0.03045265 0.00687197 -0.00232378 -0.00307215 -0.00013246 0.00240435 +H 6.60217541 6.31171365 7.20884668 -0.01965684 -0.02186424 -0.00290713 0.00139017 -0.02445287 -0.05411814 0.02710189 0.00142768 0.00846474 +O 7.22451642 7.92619037 4.61146739 0.00785271 -0.00109039 0.00516969 0.05444990 -0.00007812 0.01978295 0.00686992 0.00163071 -0.00050155 +C 8.79700849 7.25350266 6.26852321 -0.00142403 -0.00064279 0.00083620 -0.02356614 -0.02105221 0.00059032 -0.00527997 -0.00183113 0.00219928 +H 9.41846272 8.08813713 6.00180655 -0.00669956 -0.01836265 -0.00203347 0.01134811 0.00746914 -0.02532089 -0.00368021 0.00282875 -0.00163734 +H 8.58956068 7.21709494 7.30407328 0.01393233 -0.00964340 -0.01509601 0.16251626 -0.02026462 0.10386529 0.02913143 0.00074999 0.00591180 +H 9.35126413 6.29855903 6.03409185 -0.00671249 0.00609196 -0.01429048 -0.09659662 0.05399388 -0.14199397 -0.00689630 -0.01391154 -0.02999288 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92199273 5.85915947 5.86097145 -0.00003744 0.00139361 -0.00238099 0.01982786 -0.00228248 -0.03612769 0.00377075 -0.00028232 -0.00589901 +C 2.31871213 5.95906050 5.72987665 0.00002912 0.00287105 -0.00219894 -0.03386333 0.02286483 -0.00991484 -0.00620790 0.00359675 0.00005961 +H 0.43793976 6.44240560 6.43013495 0.03232841 -0.01313201 0.00219723 0.20453162 -0.00506055 0.12495370 0.03138703 -0.01261573 0.00625303 +C 3.03497309 5.57791814 4.58273800 0.00362619 -0.00351471 0.00886975 0.02249702 -0.01961050 0.04135490 0.00049202 -0.00163056 0.00097539 +H 2.46157274 6.83145231 7.65029224 -0.01544461 -0.03012489 0.01641383 -0.08097089 -0.12206828 0.04937145 0.00074579 0.00073340 -0.00996386 +C 4.41860107 5.82597488 4.51727285 0.00044246 -0.00332055 0.00394518 0.03427880 -0.02419166 0.05684713 0.00911424 -0.00416776 0.00908419 +H 2.63913934 5.10136570 3.73856497 -0.01598528 0.04099585 -0.01303333 -0.16121162 0.21829304 -0.01438291 -0.00745248 0.02176079 0.02751797 +C 5.13160161 6.42374425 5.61929410 0.00738231 -0.00840292 0.00551463 0.01560126 -0.04554822 0.02916635 -0.00121344 -0.00356566 0.00343380 +H 5.00879715 5.42573388 3.72834907 0.01432995 0.02765329 0.00923503 0.02880848 0.19736877 -0.07751881 -0.01814351 0.02789912 -0.01047198 +C 4.37844716 6.82403943 6.74027185 0.00110561 0.00143408 0.00144558 -0.00746957 0.00302378 0.01017822 -0.00236511 0.00048769 0.00373094 +N 6.45707435 6.74296969 5.48581535 0.00258698 0.00440835 -0.00643978 0.03246445 0.01547505 -0.04643927 0.00547887 -0.00026463 -0.00692740 +C 2.98747667 6.56501671 6.76911863 -0.00920342 0.00381567 -0.00168234 -0.03739342 0.03194436 0.01920611 -0.00184038 0.00413577 0.00688564 +H 4.80966244 7.30275477 7.55167895 0.00898496 0.00790627 0.00486128 0.04642052 0.03651660 0.03764306 -0.01199518 -0.01274003 -0.01706928 +C 7.38792157 7.28916550 6.30018159 -0.00151976 -0.00415333 -0.00302154 0.01172867 -0.00292617 -0.00644406 0.00452951 0.00285546 -0.00001488 +H 6.86197721 6.38078925 4.66293776 -0.00413234 0.01655624 -0.02225456 -0.03051367 0.16801408 -0.14959793 -0.00737473 0.03323660 -0.00580527 +O 7.25503174 7.70878184 7.47260658 -0.00706445 -0.00033889 0.00058777 -0.05612377 -0.01526732 -0.01562889 -0.00844698 -0.00394991 -0.00485561 +C 8.77517758 7.51665213 5.65972831 0.00456098 -0.00276910 -0.00331375 0.00863070 -0.00485323 -0.02825369 -0.00129728 0.00257628 -0.00069038 +H 9.33810470 8.26320386 6.14663842 0.00028764 0.00039040 0.00841132 0.03507454 -0.06857721 0.13841897 -0.00261276 -0.03818079 0.01329132 +H 9.35831965 6.58478503 5.53985777 -0.01472805 0.00578576 -0.01305373 -0.04019170 -0.02455905 -0.08248797 0.00431514 -0.01242588 -0.01471262 +H 8.66480677 7.96114221 4.64249699 -0.00540831 0.03326468 0.01127422 -0.04392155 0.13183310 0.10416772 -0.00521952 0.01208981 -0.00167330 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04307231 5.68780977 5.98284058 -0.00298911 -0.00348010 0.00833609 -0.01277505 -0.01950024 0.02803282 -0.00038070 -0.00251156 0.00231593 +C 2.33293345 6.04552221 5.68657449 0.00330211 -0.00546980 0.00061166 0.00575289 -0.02711053 0.01413197 -0.00213065 -0.00109937 -0.00051810 +H 0.89740139 5.42688442 6.87514316 0.00555023 0.02209766 -0.00878135 0.01192414 0.10937654 0.09989425 0.00116684 0.01643206 -0.00422622 +C 2.81511904 6.52744260 4.46704595 0.00007176 0.00008529 -0.01123546 0.02858509 -0.00399532 -0.04661334 0.00416202 -0.00234411 -0.00318782 +H 2.78360501 5.69586515 7.79300613 -0.00261713 -0.00296257 -0.00861412 0.00964760 0.05343303 -0.07639061 -0.00453940 0.01002963 0.01158226 +C 4.20122106 6.88844411 4.42648125 0.00164126 0.00535255 0.00178129 -0.00247770 0.02498740 -0.02203444 -0.00223145 0.00169634 -0.00630213 +H 2.24132535 6.62175803 3.60561764 0.02550873 -0.00227729 -0.01036699 0.01530082 -0.03724170 -0.15452228 0.00325406 -0.01024799 0.00849285 +C 5.07644458 6.77883433 5.52312966 -0.00329639 -0.00451402 0.00143164 -0.02578719 0.00276660 0.00764915 -0.00251082 0.00570726 -0.00030389 +H 4.59620098 7.14931983 3.44380864 -0.01362287 0.00718497 -0.01186929 -0.05713361 0.10131769 0.01366589 0.00597596 0.02370468 0.00249007 +C 4.48729507 6.50969002 6.75805203 0.00661143 -0.00014542 -0.00411084 0.02693380 -0.03230983 -0.00145077 -0.00013885 -0.00886808 0.00480280 +N 6.37235189 7.24285521 5.43759674 -0.00867256 0.00316434 0.00826372 -0.01944826 0.01446187 0.02574613 0.00191610 -0.00085242 0.00295473 +C 3.17169378 6.06944031 6.82199651 -0.00136189 0.00656032 -0.00577933 -0.00819367 0.03529227 -0.02710851 0.00129104 0.00375386 -0.00209106 +H 5.01079657 6.41598977 7.65908929 0.00252951 -0.01257147 0.01887833 0.03099615 0.01771259 0.03060791 -0.00071290 0.01581629 -0.02185881 +C 7.41885406 6.92197071 6.22741114 0.00360175 0.00267365 -0.00150333 0.00636568 0.03467591 0.03121494 -0.00250879 0.00684819 0.00897248 +H 6.68205965 7.68880836 4.55405155 0.00866924 0.00574909 -0.01861916 -0.09534508 -0.01706357 0.08672990 -0.01653783 0.01442943 -0.00563567 +O 7.30360872 6.35738398 7.31432831 -0.00050321 0.00125002 0.00222200 0.00014967 0.00249277 0.00707471 0.00078262 -0.00042399 0.00011363 +C 8.78848045 7.53747869 5.98783827 0.00042085 -0.00486654 -0.00232758 0.02176202 -0.02932158 -0.04375710 0.00408635 -0.00368198 -0.00869375 +H 8.98544771 7.58226278 4.93155850 -0.00548036 -0.00788809 -0.02526887 -0.05182405 -0.04043327 -0.05235035 -0.00390133 0.00213523 0.00928821 +H 8.93602942 8.56783186 6.32179920 0.01765256 -0.00691455 0.03063282 0.02239863 -0.14125421 0.18129309 -0.00793933 -0.02513957 0.01142612 +H 9.60094530 6.91121158 6.38838690 0.00678849 -0.00713250 0.00340046 -0.04615452 -0.03626210 0.00427877 -0.00999620 -0.01269736 -0.00393934 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03320246 5.74771837 5.83789533 0.00756618 -0.00473945 0.00227384 0.05366238 -0.03995872 0.01806763 0.00580906 -0.00606664 0.00289445 +C 2.34541613 6.16963661 5.93744403 0.00310246 -0.00134898 -0.01000185 -0.04136225 0.00054068 -0.05596387 -0.01154267 0.00483759 -0.00497883 +H 0.94828717 4.82380433 5.74742995 0.04061341 -0.02741332 -0.01180706 0.22839157 -0.00457991 -0.06686329 0.01964698 0.00495224 -0.00997192 +C 2.64465290 7.46050906 6.32104215 -0.00346860 0.00038257 -0.00017377 0.00294614 0.00630085 -0.02919316 0.00184700 0.00232070 -0.00724682 +H 3.05518928 4.23421812 5.26750946 -0.01871417 0.00502914 -0.00628913 -0.16122245 0.07465379 0.04685899 -0.01656272 0.01268034 0.01728159 +C 3.98231015 7.87422433 6.15932771 0.00015781 0.00297815 -0.00029584 -0.00953318 0.00678820 0.02394594 -0.00057881 -0.00090566 0.00685783 +H 1.84245190 8.16213044 6.51298594 0.03265073 -0.00469421 -0.00025520 0.05820081 0.07909898 0.09956414 -0.00578086 0.00982264 0.02025632 +C 4.97579678 6.92303580 5.89155911 -0.00223186 -0.00177562 0.00004184 0.00602071 -0.00919377 -0.00638413 0.00241215 0.00089199 -0.00101127 +H 4.22445555 8.87372459 6.44652429 0.00626926 -0.01028198 0.02423401 0.04443525 -0.00019341 0.09459722 -0.00022481 -0.00195359 -0.00162126 +C 4.62622132 5.55373377 5.56304055 -0.00251105 0.00122448 0.00027925 -0.01122899 0.02753281 0.02136492 -0.00224378 0.00663057 0.00543040 +N 6.28146287 7.45105522 5.98706437 -0.00195811 -0.00159049 0.00296189 -0.01194374 -0.02478322 0.02471053 -0.00072093 -0.00703807 0.00355143 +C 3.27697606 5.22192566 5.60491251 -0.01059051 0.01344951 0.00381285 -0.02654264 0.04927597 -0.00369796 0.00296339 -0.00052733 -0.00519207 +H 5.34024116 4.73115813 5.38842948 -0.00185003 -0.01191925 0.01057995 -0.02870862 0.07121771 0.02477578 0.00689317 0.01421654 -0.00615747 +C 7.47623429 6.83934674 5.89480065 0.00216362 -0.00363010 0.00531554 0.01040870 0.00569762 0.03607560 -0.00086518 0.00356348 0.00407390 +H 6.34009336 8.44567357 6.29875418 -0.00952185 -0.00507630 0.00701697 -0.05516509 -0.05672071 -0.01863614 -0.00331635 0.01667868 -0.00335989 +O 7.63558397 5.65384929 5.71017079 0.00262127 0.00329290 0.00041152 0.01889788 0.00618616 0.00034100 0.00273186 -0.00127949 -0.00012798 +C 8.72408512 7.75726269 6.03578215 -0.00406483 -0.00056883 -0.00634698 -0.03148681 -0.03483458 -0.05219970 -0.00426447 -0.00516390 -0.00519264 +H 8.56967379 8.49389899 6.81155626 0.01507501 -0.01464832 -0.04353111 0.07910936 0.06893008 -0.05712989 0.00286219 0.01260109 0.00756011 +H 9.61642997 7.11108112 6.20943710 -0.00047990 0.00163533 -0.00031190 -0.03917811 0.07050648 0.02212536 0.00440435 0.00060466 0.00881551 +H 8.85133988 8.29561204 5.04843954 0.00931592 -0.01520098 0.02438967 0.08926597 -0.04338964 0.00620944 0.01276736 0.00600815 -0.03956096 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01761577 5.65455520 5.83805176 -0.00394478 -0.00129321 -0.00374106 -0.02958585 -0.00351112 -0.02811859 -0.00343581 -0.00017371 -0.00348503 +C 2.33570188 5.91012180 5.97045715 0.00190569 -0.00205990 0.00045340 -0.00474436 -0.02626388 0.00369162 -0.00320857 -0.00450918 -0.00006003 +H 0.67091573 6.09962908 5.10106325 -0.00045486 0.02827344 -0.01277723 0.00288835 0.07977740 0.03397611 -0.00514516 0.00296216 0.01030355 +C 3.05491491 5.59477265 7.11630058 0.00114553 -0.00047191 -0.00178477 -0.00570382 0.00446830 -0.00466384 -0.00243665 0.00112228 0.00018302 +H 2.43394328 6.81868074 4.03159522 0.01771377 0.00248088 0.01387106 0.04644027 -0.02729377 0.01958028 0.00226835 -0.01007844 -0.00032596 +C 4.40424402 5.92001918 7.19969526 -0.00846999 -0.00283943 0.00466023 -0.01758297 -0.01305913 0.00889917 0.00481164 0.00046423 -0.00253905 +H 2.51420998 5.22570032 8.02982568 0.02423883 0.01825502 -0.02052011 0.06830311 -0.05606007 -0.02993173 -0.01538982 -0.03809859 0.02421262 +C 5.09408721 6.56710867 6.14340285 -0.00024319 0.00963957 -0.00116377 -0.01421096 0.06507126 0.02638623 -0.00253499 0.00737954 0.01008287 +H 4.94197791 5.58400159 8.08072472 0.00011868 -0.00694763 -0.01718496 0.00890177 -0.01148077 0.00106001 -0.00107135 0.00330451 0.01539005 +C 4.31698272 6.97895621 5.02689915 0.00498593 -0.00257039 0.00094354 0.03094009 -0.03939488 0.00421786 0.00450184 -0.00556104 -0.00353972 +N 6.43869663 6.87885231 6.37196455 0.00386517 0.00333295 0.00040412 0.01110458 0.01096020 0.01480597 -0.00195744 -0.00082631 0.00414251 +C 2.96299912 6.50529572 4.90884637 0.00341561 -0.00303084 0.01108009 0.05885845 0.02201911 0.05038928 0.01006223 0.00776997 0.00248651 +H 4.87232231 7.50112714 4.31266292 -0.01621891 -0.01419877 -0.01738460 -0.16342096 -0.04252420 -0.20165166 -0.02961645 -0.01582776 -0.00288819 +C 7.41667834 7.42929318 5.67446797 0.00033813 -0.00409569 0.00093444 -0.00997182 -0.03564394 -0.01660458 -0.00263564 -0.00511788 -0.00558644 +H 6.82925738 6.50399741 7.22323247 -0.00076982 -0.00568258 -0.01295150 -0.02630058 -0.06397467 0.00728796 -0.00562844 -0.00710028 0.00884500 +O 7.20678925 7.87570931 4.53552124 0.00138102 0.00089374 -0.00053282 0.02431450 0.00898135 0.00743855 0.00503646 0.00159291 0.00230675 +C 8.79471487 7.10108885 6.29089029 -0.00364306 -0.00042986 -0.00428342 -0.03426890 0.01409150 -0.03563735 -0.00449336 0.00295210 -0.00861157 +H 8.91770824 6.00326975 6.29863839 -0.01075477 0.03382025 -0.00347209 -0.02364214 0.00018233 -0.04295308 0.00363788 -0.02650496 -0.01003436 +H 9.53164902 7.49511570 5.59855259 -0.02663458 -0.00616659 0.01316813 0.01581157 0.04723223 -0.01925770 0.01790346 0.01336938 -0.00935216 +H 9.01200141 7.47134427 7.34181326 0.00647985 -0.02000036 -0.00969219 -0.03913380 -0.06117745 -0.08266663 -0.01361945 0.01330974 0.01536084 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02219801 5.69933804 5.84286537 -0.00107255 0.00226447 -0.00079349 -0.02183388 0.02202154 0.00015108 -0.00446431 0.00172463 -0.00033174 +C 2.29342730 6.06460598 5.95024592 -0.00171846 0.00055036 -0.00348765 0.01942036 0.02436796 -0.03633848 0.00365914 0.00412824 -0.00694467 +H 0.93929546 4.88003912 5.43487537 -0.00182262 0.01634182 0.01085639 -0.05208012 -0.03105600 0.01108312 -0.00784738 0.01837543 0.01286690 +C 2.65261988 7.40262719 6.38572964 0.00523256 -0.00303811 -0.00453558 0.03855879 -0.04883870 -0.02298318 0.00551424 -0.00586261 -0.00027993 +H 3.08392274 4.30079924 4.81845348 -0.01816520 -0.03321732 0.01232098 -0.05324077 -0.03168593 0.22794712 -0.00672855 -0.01101850 0.02616604 +C 3.99279392 7.80997687 6.49677909 0.01045714 -0.00330260 0.00181021 0.03746862 -0.02175497 0.00965388 0.00140138 -0.00040193 0.00072154 +H 1.84859943 8.03977597 6.71428000 0.04221088 -0.00976911 -0.00614712 0.10465495 0.08352876 0.00502280 -0.00108233 0.01169346 -0.00247975 +C 4.99411737 6.97274110 6.08283083 -0.00235197 -0.00208937 0.00031597 0.02843105 -0.02694231 -0.01981037 0.00803013 -0.00441836 -0.00432555 +H 4.19932980 8.75462536 6.88530729 0.01327742 -0.00951484 -0.03245522 0.11327881 0.09690605 -0.11843904 0.00438963 -0.00530879 -0.00847460 +C 4.60853793 5.74054797 5.47303590 0.00241270 0.00321014 0.00698461 0.02549028 -0.01263789 0.02350585 0.00133807 -0.00802000 -0.00129337 +N 6.34765159 7.45633110 6.06165002 -0.00341415 0.00169635 0.00506801 -0.04385216 -0.00966388 0.04174272 -0.00582688 -0.00095890 0.00758709 +C 3.31352937 5.23974033 5.39503564 -0.00802794 -0.00471139 -0.00076880 -0.05368432 -0.01886166 0.00321059 -0.00192853 0.00274343 0.00388616 +H 5.33450141 5.11186035 4.98863336 0.01225543 0.00866572 -0.02425953 0.02943116 0.10332543 -0.04849546 0.00210786 0.00756485 0.00821421 +C 7.51566757 6.83449575 5.81919587 0.00136895 -0.00085450 0.00828695 -0.02397685 0.02194989 0.06335393 -0.00803643 0.00524544 0.00831666 +H 6.36081674 8.36901104 6.44477575 -0.00372668 -0.02282306 -0.00455851 0.07129545 0.06693710 0.00192806 0.01041270 0.00104117 -0.00783503 +O 7.55321470 5.66861888 5.52215755 -0.00168849 0.00384196 -0.00429806 0.00611801 0.01485098 -0.03318812 0.00328618 0.00159078 -0.00458796 +C 8.72746985 7.74551243 5.99171244 -0.00397457 0.00461373 -0.00114160 -0.01476197 0.03048146 -0.02249392 -0.00290312 0.00333221 -0.00476482 +H 8.70473146 8.25141325 6.98751083 0.00831686 0.00695075 -0.00722630 0.08810026 -0.01468341 -0.04565350 0.01624041 -0.00188884 0.00828915 +H 9.71660885 7.23411164 5.83022630 0.00011603 -0.02816161 -0.00972914 -0.18054296 -0.07527369 -0.03047230 -0.01710583 -0.00844829 -0.00450176 +H 8.60411773 8.56442372 5.26961339 -0.00169102 0.01802099 -0.01735254 0.05935544 -0.02652208 -0.03594683 0.01497961 -0.01253951 -0.00377579 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.10133865 5.63831433 5.76188148 -0.00163723 0.00219123 -0.00099711 -0.01131610 0.03032998 0.00979703 -0.00190465 0.00374410 0.00143005 +C 2.37301659 6.09595358 5.99969390 0.00173000 -0.00670227 -0.00374393 -0.02314312 -0.01994756 -0.02492610 -0.00710560 0.00399305 -0.00127036 +H 1.06729327 4.90065888 5.19045993 0.01740022 0.02989598 -0.00156433 0.07275589 0.07775077 -0.10224086 -0.00237285 0.02342304 0.00120563 +C 2.66539360 7.31044921 6.69472673 -0.00369916 0.00872061 0.00342240 -0.03007759 0.01316343 -0.00005120 -0.00598372 -0.00678375 -0.00403115 +H 3.01509665 4.44847000 4.67717096 0.01808243 -0.01230413 -0.01313357 0.12844837 0.06842009 0.01021723 0.00452090 0.00279509 -0.00042329 +C 4.00118151 7.72826174 6.79668068 -0.00266642 0.00314581 0.00171619 -0.02292714 -0.00637712 -0.00766682 -0.00164554 -0.00173708 -0.00152890 +H 1.88288067 7.91865109 7.13133071 -0.01034844 -0.01348832 -0.00294169 -0.09102378 -0.07619023 0.04581719 -0.00526985 -0.00732806 0.01102248 +C 4.97287581 7.00096944 6.05474241 0.00408478 -0.01072682 0.00143989 0.01572803 -0.05124188 0.02348745 0.00057396 -0.00257387 0.00546455 +H 4.14733823 8.53578313 7.41543648 -0.01597524 -0.00519908 0.00080023 0.05183162 0.08611094 0.02276126 0.01787683 -0.01324351 -0.02402523 +C 4.60446173 5.88839047 5.23341327 0.00335361 0.00020268 -0.00241237 0.01533956 -0.02286898 -0.00790602 0.00001570 -0.00709138 0.00049327 +N 6.27098514 7.43709890 6.15465872 -0.00077172 0.00158040 0.00483737 0.03374434 -0.01255950 0.01577225 0.00789559 -0.00352551 0.00018247 +C 3.29629551 5.36236249 5.24929956 -0.00494843 0.00000802 0.00408771 0.00905455 0.00661065 0.01963760 0.00868443 0.00348466 0.00196090 +H 5.35709321 5.35311777 4.69557329 -0.00466263 -0.03184475 -0.01022383 -0.09385552 -0.11246191 -0.05499886 -0.01268429 0.00574527 -0.00202721 +C 7.45601253 6.79850456 5.81349135 -0.00040310 -0.00156049 -0.00900153 -0.01398893 0.05369405 -0.05297065 -0.00083142 0.01320290 -0.00635634 +H 6.43531132 8.38724984 6.46082708 0.01072036 -0.01500861 -0.00078713 0.00206793 -0.00769574 0.07725068 -0.01031643 0.00009886 0.01742486 +O 7.52758822 5.68873008 5.33823551 -0.00096372 0.00005507 0.00350566 0.00094755 -0.01207869 0.02105330 0.00089959 -0.00213985 0.00266641 +C 8.71626600 7.72574562 5.96758285 0.00424393 0.00375679 -0.00172080 0.02145059 0.00430508 -0.01431113 -0.00036323 -0.00286673 -0.00121051 +H 8.62684001 8.20032270 6.95665347 -0.01219840 -0.02117202 0.00802726 -0.01143251 -0.06271723 -0.00721394 0.00848142 0.00685244 -0.00364848 +H 9.59587914 7.03656398 6.02539916 0.01052759 0.02594642 -0.00595539 0.06796786 0.13898192 -0.01739923 0.02057301 -0.00072112 -0.00064704 +H 9.01392781 8.44772838 5.16289409 0.01825997 0.02316201 -0.00723155 -0.09073896 0.04267833 0.08800546 -0.03526870 0.01034010 0.01075958 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99709396 5.80859211 5.92984439 0.00115095 -0.00131285 0.00378179 0.00455772 -0.02538567 0.01474291 0.00055244 -0.00347383 0.00212460 +C 2.32835169 6.07695405 5.94178414 0.00199325 0.00143774 -0.00700377 -0.02028628 0.02647827 -0.02555987 -0.00634373 0.00669441 0.00063011 +H 0.74828394 5.02630664 5.42317589 0.00858608 -0.01814584 -0.00991781 0.08983802 0.00976156 0.00810538 0.00461396 -0.01625205 -0.01199574 +C 2.66894992 7.08634778 6.82380931 0.00882789 0.00449198 -0.00007603 0.06904293 0.03002180 -0.00076458 0.01119962 0.00235113 -0.00175188 +H 2.87391077 4.64632883 4.40481182 -0.01010303 -0.01400593 0.03216900 -0.01986082 -0.11210958 0.16489038 -0.00477800 -0.03595162 -0.00342244 +C 4.02184179 7.44005704 6.90751106 0.00779071 -0.00234015 0.00129090 0.05628405 0.01225964 0.02626492 0.00720095 0.00243838 0.00243363 +H 1.88829875 7.59453452 7.43443069 0.02139600 0.01064580 0.01849713 0.19709340 0.02350620 0.05288303 0.01135843 0.00792786 0.00959409 +C 5.01498238 6.81555506 6.13530887 -0.00497085 0.00008808 -0.00641757 -0.02793693 -0.02538596 -0.06650767 -0.00131174 -0.00372143 -0.00930990 +H 4.28689981 8.24828638 7.59258523 0.00750855 0.02998669 0.01327930 0.03735678 -0.00990450 -0.03894815 0.01397630 -0.01029141 -0.00261189 +C 4.58117437 5.75757034 5.23607397 0.00199017 -0.00107497 -0.01198340 0.02292009 0.02755183 -0.06779698 0.00075487 0.00523467 -0.00891317 +N 6.35863189 7.16861862 6.32240620 -0.00728379 0.00070851 -0.00216733 -0.05360639 0.01760073 0.01957311 -0.00530551 0.00353354 0.00600445 +C 3.24576133 5.42735793 5.12252857 -0.00752123 -0.00552983 0.00157679 -0.04016063 -0.04659389 0.00629345 -0.00011507 -0.00473762 0.00187758 +H 5.34759424 5.36550984 4.57942971 0.00096374 0.01188261 0.00445402 0.01406179 -0.08828229 -0.03690842 -0.00197640 -0.02727321 -0.00833801 +C 7.49821252 6.99644349 5.69669911 0.00376754 0.00480151 0.00564141 0.00609544 0.00984843 0.00118644 -0.00494744 -0.00140688 -0.00263649 +H 6.45715250 7.61316242 7.19058498 -0.00240685 -0.00243581 0.01665942 -0.01098200 -0.00118412 0.03378541 -0.00686202 -0.00019915 -0.01091943 +O 7.53305475 6.45490977 4.57896387 -0.00594555 -0.00077947 0.00208562 -0.03099201 0.00063382 0.02609836 -0.00244209 0.00072830 0.00464838 +C 8.77977311 7.52417449 6.33404488 0.00072402 0.00124526 0.00875157 -0.00409474 0.00092256 0.04422154 0.00054955 0.00023199 0.00313227 +H 9.58210908 6.85184513 6.12743652 -0.00132790 0.01618294 -0.00011185 0.07958647 0.07061570 -0.07451244 0.00200210 0.01234232 -0.01186026 +H 8.92609011 8.50089349 6.00091710 -0.00916988 -0.01646565 -0.02879602 0.02749781 0.00114822 -0.17490694 0.00744321 -0.01442777 0.01039386 +H 8.74397999 7.61669322 7.39216960 0.01171200 -0.03145328 -0.01129621 0.01272603 -0.16353790 0.13037465 -0.00531598 -0.00581790 0.01145049 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95396178 5.81450977 5.79625570 -0.00482391 -0.00089219 0.00557941 -0.00934690 -0.01165853 0.03176980 0.00173359 -0.00108313 0.00325124 +C 2.33811361 5.96339769 5.75982816 0.00151466 -0.00108230 -0.00184693 -0.02151310 -0.00859077 0.00063471 -0.00588544 -0.00258642 0.00168590 +H 0.43879989 6.61415555 5.95674337 0.02608499 0.00070891 -0.02753403 0.12750698 0.09034453 -0.15385827 0.01081434 0.00730130 -0.01601737 +C 3.13871074 5.01869395 5.06932941 0.00141486 -0.00056524 0.00069848 0.01675494 -0.02168844 0.00812113 0.00169409 -0.00436843 0.00067376 +H 2.36428588 7.93222575 6.85333418 -0.02214298 0.01660793 -0.02291931 -0.09798254 -0.12098861 -0.06292117 -0.01910312 -0.02069961 0.01767113 +C 4.53321603 5.19645438 5.02062047 0.00265560 -0.00514577 0.00372649 0.02249961 -0.01498601 0.02878874 0.00323868 0.00163743 0.00472122 +H 2.83801649 4.05457983 4.72740747 -0.00121561 -0.00860759 -0.04647724 -0.11310928 0.17987665 -0.27495740 -0.02088818 0.05495152 -0.01994172 +C 5.11807128 6.31116060 5.70470532 -0.00133006 0.00320526 0.00007080 -0.00872137 0.01208079 0.00167522 -0.00034690 0.00033050 0.00086251 +H 5.08816515 4.45942292 4.43838223 0.00780144 0.00856299 -0.01533223 0.07912530 0.09461589 -0.00955456 0.01556818 0.00979489 0.00755462 +C 4.28443941 7.17306180 6.40763003 0.00074591 0.00175364 -0.00203531 0.02086219 0.03593184 0.00513950 0.00234494 0.00666251 0.00239848 +N 6.48439649 6.55446553 5.66047994 -0.00271907 0.00700930 0.00160362 -0.00435372 0.02146193 -0.00779890 0.00219286 0.00005978 -0.00338446 +C 2.92242536 7.05094791 6.46945713 -0.00133703 -0.00020091 0.00049775 -0.02870699 0.00240344 -0.02774699 -0.00376988 -0.00103033 -0.00882107 +H 4.73447380 8.01614795 6.93033377 0.02464099 -0.00187408 -0.00295996 0.06302629 0.00360656 -0.04681372 -0.00437637 0.01653633 -0.00141574 +C 7.36309190 7.43802912 6.19238361 0.00696290 -0.00097538 -0.00249434 0.03204552 0.01440261 -0.00081722 -0.00011602 0.00351978 0.00183755 +H 6.87100686 5.82071753 5.11416519 -0.00636123 -0.01375801 -0.00545599 0.03699827 0.06558033 -0.01184911 0.01642379 0.02441684 -0.00281211 +O 7.15531160 8.28193469 7.08587238 -0.00058298 -0.00075423 0.00089875 -0.01163916 -0.01679765 -0.00512140 -0.00228536 -0.00348145 -0.00196957 +C 8.78106655 7.43816515 5.64387096 0.00069091 -0.00503591 0.00066790 0.00102892 -0.03074927 0.00804345 -0.00171092 -0.00518534 0.00177375 +H 9.41985525 7.90466116 6.45204708 -0.01442943 -0.00754374 0.00978706 -0.02828029 -0.12400497 -0.01201585 0.02550713 -0.02145206 0.01010805 +H 9.07801110 6.37356328 5.52685694 -0.02551786 0.01224198 -0.02610542 -0.06245950 0.01228496 -0.21542922 0.01008284 -0.01281227 -0.03267856 +H 8.89202497 8.01614051 4.66708656 -0.00011715 0.01827443 0.02041339 -0.01934708 0.08551680 0.18875391 -0.00150933 0.02573917 0.00306634 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.07032403 5.70707379 5.85393272 -0.00513395 0.00214510 0.00040455 -0.04546356 0.01259014 0.00079716 -0.00835439 0.00193253 0.00044663 +C 2.35524739 6.13093589 5.84202702 -0.00779804 -0.00916091 0.00618258 -0.04299683 -0.04910604 0.05388659 -0.00137290 -0.00318770 0.00837954 +H 0.97761300 4.85549981 5.38548675 -0.01353232 0.00570471 0.01421560 -0.11699388 -0.00669919 0.09121761 -0.01896012 -0.01952943 0.00478966 +C 2.62873866 7.39370165 6.42487755 0.00091200 0.00331746 -0.00294747 0.01837640 -0.00377690 -0.03161635 0.00205012 -0.00599212 -0.00470771 +H 3.24424217 4.25535287 4.98775505 0.00405533 -0.01308896 -0.01640374 -0.07177065 0.05556433 -0.03574833 -0.01779944 0.02364141 0.00542781 +C 3.99340200 7.83693887 6.47515789 0.00067594 -0.00052942 -0.00306423 -0.01035592 -0.01696813 -0.02352816 -0.00038929 -0.00321007 -0.00427548 +H 1.78782062 8.01293901 6.75634096 0.00225129 -0.02640476 0.01978371 0.05051006 -0.09928943 0.15150743 0.01138471 0.00364478 0.01714683 +C 5.01889504 6.98174891 6.00586995 0.00122993 -0.00229175 -0.01388812 0.00430563 0.01453704 -0.08679008 -0.00115294 0.00669486 -0.00897947 +H 4.14013838 8.79725754 6.91973511 0.01688516 -0.00405653 0.00352393 0.15116729 -0.03342669 -0.01683605 0.01323472 -0.01474784 -0.01006029 +C 4.66005766 5.69738770 5.46868739 0.00551183 0.00311367 0.00157787 0.04128706 0.02337926 0.00504418 0.00506115 0.00138426 -0.00202631 +N 6.31467599 7.55278851 5.96637057 0.00428953 -0.00700471 0.00472200 -0.00571684 -0.05484063 0.02553828 -0.00478196 -0.00853457 0.00231472 +C 3.35029107 5.24421509 5.38749476 0.00234050 0.00116335 0.00154911 0.01800085 0.01109185 0.01152439 0.00172612 0.00230918 0.00211871 +H 5.40929710 5.02883976 5.08747111 -0.00066622 0.01975327 -0.00505310 0.04720847 0.05268406 -0.07624100 0.00532483 -0.00096256 -0.01109674 +C 7.42293859 6.82353214 5.91778280 0.00043805 -0.00000073 0.00106918 0.03506483 0.02343270 -0.00327175 0.00786563 0.00523193 -0.00173086 +H 6.37106195 8.56218821 5.84345543 -0.01846962 0.01144327 -0.00328324 -0.04381127 -0.09115734 0.09319951 0.00877427 -0.01007121 0.02721287 +O 7.53166445 5.61918780 5.77732815 -0.00888144 0.00325367 -0.00078773 -0.05647642 0.01248449 -0.00014031 -0.00608144 0.00065884 0.00068706 +C 8.67826566 7.67846786 5.87670012 0.00731517 0.00520332 0.00522646 0.04459483 0.02258500 0.03401221 0.00727033 0.00208545 -0.00036615 +H 8.61657681 8.32970460 6.79919964 0.00382153 -0.00546316 -0.00980195 0.06466850 0.07065090 -0.05267507 0.01279911 0.03388135 0.01231660 +H 9.53843364 7.05569289 6.01187474 0.02002120 -0.00165816 0.01200160 0.08951384 0.04810986 0.00264679 -0.00484479 0.01723426 -0.00522562 +H 8.60645572 8.21049987 5.00635942 0.02187091 0.01570634 -0.02334403 0.23674670 0.06766037 -0.03694126 0.03473846 -0.01896722 0.04740555 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92781930 5.77622478 5.89280099 -0.00138152 -0.00605427 0.00660713 0.00739010 -0.03606235 0.03386752 0.00549540 -0.00451056 0.00577374 +C 2.28893177 6.00564044 5.99067969 0.00390068 -0.00130272 -0.00476583 0.04477182 -0.01548855 -0.02210306 0.00447648 -0.00212511 -0.00272803 +H 0.62154998 5.88342175 4.98266149 -0.02762358 -0.00048782 -0.00502191 -0.13703322 -0.00307816 0.14891628 -0.02504541 0.00679183 0.00459829 +C 3.07715106 5.39714202 7.07274759 0.00131680 0.00604136 -0.00452218 -0.01857340 0.06104631 -0.04953570 -0.00302061 0.00985624 -0.00730689 +H 2.50889840 7.37760788 4.30761441 0.02556568 -0.01046337 0.02478506 -0.03983171 0.03145961 -0.08758760 -0.01440325 -0.00490536 -0.01099352 +C 4.44127154 5.75503053 7.12654271 0.00321871 0.00284566 0.00085776 0.00599288 0.00498867 0.00245929 -0.00097112 -0.00025450 -0.00153952 +H 2.56282377 4.82677899 7.81954725 -0.01671408 -0.00940958 0.01327271 0.03817367 0.04821675 -0.05336030 0.01794055 0.01918648 -0.02295286 +C 5.09013016 6.44161137 6.10123654 0.00271043 0.00397209 -0.00914882 0.06193448 0.00764556 -0.01441427 0.00952992 -0.00262587 0.00508776 +H 4.98715018 5.40325710 8.00023374 -0.01262043 0.00615245 -0.00370385 -0.01003594 0.00877436 0.02151101 0.00710873 -0.00357251 0.00820544 +C 4.40134663 6.96061669 5.04363836 0.00668729 -0.00345786 -0.00394640 0.01949827 -0.01078208 -0.03826885 -0.00096712 -0.00023057 -0.00581585 +N 6.48414176 6.64169916 6.35341726 -0.00295463 0.00079400 0.00507611 -0.03708844 0.02634757 0.00817454 -0.00397798 0.00605848 -0.00109766 +C 3.02083832 6.81151287 5.02998248 0.00136897 0.00918427 0.00192876 -0.00694601 0.03781248 0.03294875 -0.00359734 0.00385111 0.00279504 +H 4.85949938 7.62268165 4.29666251 -0.01219227 -0.02133682 -0.00369024 0.01804816 -0.10636375 -0.10925159 0.01672402 -0.00491580 -0.02741962 +C 7.39819579 7.33185244 5.61398693 -0.00008558 -0.00236787 -0.00342462 -0.01787370 -0.04508893 0.00146117 -0.00446307 -0.00922310 0.00275050 +H 6.68310557 6.43170886 7.30466637 -0.00241514 -0.00695617 -0.00028370 0.08575155 -0.05461424 -0.01742315 0.01411043 -0.00355398 -0.02063410 +O 7.31404557 7.64730616 4.42774883 -0.00507439 0.00079283 -0.00014645 -0.03696671 0.00716359 0.00184291 -0.00527412 0.00097952 0.00119977 +C 8.63957088 7.57827326 6.40913045 -0.00416738 -0.00619830 0.00377107 -0.00368281 -0.03689241 0.01493583 0.00324338 -0.00235239 0.00337183 +H 8.49020308 7.67725338 7.44693164 0.00147876 -0.00228321 -0.00239414 -0.06195194 0.00219535 0.07748983 -0.01370389 -0.00685457 -0.00870533 +H 9.29824645 6.73518286 6.27841486 0.02182202 -0.00336654 0.01020153 0.11201094 0.05152226 0.03430102 0.00510916 0.01865740 -0.00081697 +H 9.07506890 8.45758991 6.00100808 -0.01191436 0.01676279 0.02313359 -0.03459953 0.07582907 0.16910141 -0.00648520 -0.01198799 0.02362415 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.83614896 5.89711750 5.78398498 -0.00045141 0.00066620 0.00151952 0.01838267 0.00590123 0.00701037 0.00349690 0.00022390 0.00246722 +C 2.23238005 6.10183339 5.74793604 -0.00041812 -0.00508367 0.00038628 -0.02832048 -0.02313743 -0.04114260 -0.00555902 -0.00163442 -0.00975781 +H 0.45340865 5.71879612 6.59070180 0.00994943 -0.00385012 -0.00001060 0.08232440 -0.05217459 0.05778865 0.02590755 -0.00272925 -0.01760081 +C 2.81319101 6.73429259 4.60863381 0.00063817 0.00007649 0.00334569 -0.02240175 -0.00131221 0.03634678 -0.00759076 0.00015747 0.00426552 +H 2.70096147 5.27135896 7.64820683 -0.02096211 -0.00769379 0.00548303 -0.06963333 -0.02005998 -0.10024194 0.00069228 -0.00040871 -0.02056697 +C 4.15167221 7.14932745 4.65121605 -0.01208910 -0.00382285 0.00670188 -0.04161903 -0.00691903 0.02817597 0.00232916 0.00107050 0.00330135 +H 2.20299077 7.04567798 3.78459329 0.01254189 -0.00284170 -0.00291194 0.02721820 -0.02884647 -0.02452123 -0.00324301 -0.00641343 0.00425900 +C 5.02953220 6.82768549 5.69005191 0.00279467 -0.00092496 0.00011796 0.02406171 -0.02693449 0.02671567 0.00105569 -0.00503840 0.00317404 +H 4.50003217 7.76943826 3.84426889 -0.00011973 0.00236881 0.00162945 -0.03283743 -0.04578364 0.02374123 -0.00804623 -0.01008421 -0.00133365 +C 4.45494106 6.03711298 6.74914045 0.00481258 0.00384436 -0.00249738 0.03203085 0.03022085 -0.00247856 0.00058542 0.00431774 0.00036620 +N 6.39631357 7.30279600 5.71988744 -0.00126035 -0.00557674 -0.00926895 -0.03301157 -0.02545494 -0.07981767 -0.00452287 -0.00224449 -0.01055205 +C 3.08930555 5.71652016 6.75654720 -0.00350369 0.00705715 -0.00970906 -0.01539110 0.03311486 -0.01567704 0.00038979 0.00257717 0.00402193 +H 4.98116072 5.75163077 7.70128185 -0.00242470 0.00830660 0.01633545 0.04472001 0.09428848 -0.09456827 0.03278271 0.00538105 -0.00495442 +C 7.56851017 6.97121632 6.25144573 0.00148791 0.00112331 0.00337184 -0.01485453 -0.01641136 0.01521547 -0.00541504 -0.00304734 -0.00218769 +H 6.45304968 8.04810482 5.03009270 -0.01064802 0.01509300 0.01367923 0.00550357 0.09479936 0.10210577 0.00633517 0.01391846 0.00548742 +O 7.74384236 6.00262398 6.99443489 0.00084869 0.00351333 -0.00314126 0.00106723 0.02004923 -0.01368155 -0.00067111 0.00086404 0.00028208 +C 8.72826685 7.74654698 5.79787931 0.00740768 -0.00412679 0.00618028 0.06824243 -0.00649236 0.03729710 0.00911657 0.00228948 0.00464366 +H 9.57139461 7.06756903 5.66548815 0.03358853 0.00023001 0.00439517 0.13925365 0.11026629 0.08074773 0.00814702 0.02358770 0.01165140 +H 8.61939795 8.25780768 4.85617379 -0.01671836 0.02035557 0.01237632 -0.11201516 0.05838663 0.09820169 -0.00351283 -0.00739105 0.01859786 +H 8.88812289 8.53708078 6.54095068 -0.00746524 0.00131460 0.00945974 0.04464726 -0.05609741 0.06545134 0.01956422 -0.01018727 0.01418625 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.93671105 5.87099801 5.97037845 0.00548569 0.00476458 0.00228423 0.02843398 0.01944575 0.01322186 0.00183057 0.00269007 0.00164696 +C 2.27687939 6.10083454 5.90101624 -0.00322843 -0.00268922 -0.00180918 -0.01438043 0.02155652 0.00378831 0.00221667 0.00567805 0.00204871 +H 0.71126437 4.91757846 5.97281229 0.00467656 0.00466324 -0.00975365 0.02768567 0.05477016 -0.08537835 -0.00368020 -0.01911790 -0.01541142 +C 2.65728193 7.44424828 6.19543558 0.01153435 -0.00780185 -0.00053434 0.03905392 -0.04450203 -0.01851205 0.00108202 -0.00696759 -0.00467733 +H 2.95656347 4.14071856 5.36522763 -0.02404143 -0.00168145 0.00366322 -0.07617239 0.00566468 0.02437840 0.00730415 -0.00035607 0.00439061 +C 4.01271139 7.82744949 6.21686273 -0.00108535 -0.00518643 -0.00134025 -0.01585817 -0.01879959 -0.00870742 -0.00077285 0.00156915 -0.00069183 +H 1.86414454 8.25352724 6.28407817 -0.01673519 -0.00021632 -0.01438845 0.08990678 -0.18145169 -0.02374851 -0.00190346 -0.00157606 0.01320370 +C 4.98535735 6.85889996 5.97602165 -0.00558177 -0.00254810 0.00025803 0.00327313 0.01085297 0.00866859 0.00530135 0.00528761 0.00147297 +H 4.19020947 8.84533525 6.34502367 0.00047123 0.01983942 -0.00465392 0.05538329 -0.00954402 0.02560060 0.00610790 -0.03560133 0.00895657 +C 4.61899156 5.58561561 5.57936994 0.00625124 0.01529787 -0.00370321 0.00086693 0.02592442 -0.02931672 -0.00663945 -0.00651805 -0.00302381 +N 6.30879342 7.24592019 6.20803114 -0.00182007 0.00148490 -0.00192146 -0.00770491 0.01229088 -0.02331017 -0.00005733 0.00107482 -0.00460967 +C 3.23908013 5.16140651 5.59528440 -0.00590419 -0.00434535 0.00446941 0.00069711 -0.02025787 0.02151776 0.00505158 0.00022913 0.00140238 +H 5.33776797 4.79544637 5.29113910 0.02099647 0.00710970 0.01765944 0.11008706 0.17038025 0.14802902 0.01954470 0.01539503 0.01118939 +C 7.54267467 6.85321725 5.81516351 -0.00038693 -0.00683893 -0.00025722 -0.01850969 -0.03525038 0.00848951 -0.00490277 -0.00057709 0.00369150 +H 6.38064844 8.13890757 6.71486560 0.00935282 -0.01267932 0.00329753 0.01785076 -0.04982324 0.04157401 -0.00392682 0.00880466 0.01233551 +O 7.82208644 5.81089240 5.20844230 -0.00173591 0.00385259 0.00014675 -0.01446629 0.02119966 -0.00380340 -0.00219491 0.00087049 -0.00191416 +C 8.62316032 7.83184706 6.24305262 -0.00233063 -0.00203567 0.00267370 -0.01661064 -0.02637816 0.01935827 -0.00244483 -0.00185141 0.00061253 +H 9.06940634 7.42283987 7.18682351 -0.01566473 0.01479170 -0.00239358 -0.09984944 0.12149043 0.07138994 -0.00134169 0.00972368 0.03083414 +H 9.47298315 7.92049025 5.61690548 -0.00788226 0.00809029 0.00146035 -0.04776445 0.02456507 -0.10281834 -0.02083076 -0.00904939 -0.00786143 +H 8.13381928 8.76026718 6.38174225 0.00331954 -0.00491253 -0.00387908 0.06404400 0.08295749 0.01240664 0.01851130 -0.00213446 0.00070808 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00087088 5.78295122 5.74050174 0.00137368 -0.00536482 0.00244047 -0.00807281 -0.03586140 0.01645136 -0.00453074 -0.00669305 0.00190734 +C 2.30135984 6.11313007 5.82054416 -0.00476648 0.00656349 0.00391111 -0.01812326 0.00551659 0.02214860 0.00125727 -0.00567691 0.00225700 +H 0.79186773 4.91466650 5.55230000 -0.01969815 0.00651972 0.00212551 -0.05692079 -0.05402541 -0.00405849 0.01537063 0.01128734 0.00414364 +C 2.57501534 7.41719252 6.10049043 -0.00496925 -0.00271587 -0.00011143 -0.01340215 0.03074340 0.02215062 0.00226862 0.01025966 0.00595999 +H 3.15097487 4.19544671 5.55687491 0.00198773 -0.00368959 -0.00677570 0.01958420 -0.10545079 -0.04963915 0.00923911 0.01538978 -0.00060122 +C 3.87886534 7.85632849 6.32762505 0.00052665 0.01276889 -0.00564499 0.03387721 0.05066702 -0.04969528 0.00535383 0.00220909 -0.00791821 +H 1.80874410 8.16233574 6.29034127 0.00540499 -0.00457916 0.01275368 -0.07759069 -0.04436565 0.02650343 -0.02426903 -0.00255909 -0.00411175 +C 5.00718432 6.95200572 6.12243067 0.00230261 0.00204991 0.00387498 -0.00691376 0.04367641 0.02205297 -0.00210739 0.00688729 0.00108727 +H 4.05841835 8.90401009 6.63888157 -0.01794624 -0.01308886 -0.01155295 -0.06586276 0.07210280 -0.07673871 0.00637119 0.03210769 -0.01037372 +C 4.68182462 5.66794556 5.86074068 0.00051611 0.00079624 -0.00668197 -0.01402233 -0.04015501 -0.04536085 0.00020091 -0.01012717 -0.00523044 +N 6.33523615 7.33602655 6.16567403 0.00700872 0.00095108 0.00193391 0.04375092 0.03923487 0.02811350 0.00443274 0.00794246 0.00532218 +C 3.34840254 5.19401723 5.73856396 0.00257085 -0.00693004 -0.00426486 0.00673223 -0.02071845 -0.03267822 -0.00322578 -0.00194367 -0.00555079 +H 5.37201502 4.90371244 5.80872498 -0.00927950 0.00065719 0.00036315 0.10756024 -0.04025427 -0.06022438 0.00384060 0.01458061 -0.01520656 +C 7.51454369 6.84064317 5.80501967 0.00257810 -0.00847658 0.00535720 0.01292973 -0.06008612 0.03296125 0.00021438 -0.00485317 0.00494459 +H 6.44662771 8.28907074 6.49730063 0.02788581 0.00658176 -0.01805978 0.14176119 0.04022748 -0.08415841 0.00996555 0.01511007 -0.00106884 +O 7.60969800 5.74346318 5.22739438 -0.00205098 0.00183538 -0.00037799 -0.00588695 0.01086804 -0.00094799 0.00047021 -0.00037498 -0.00056279 +C 8.75221294 7.71894162 6.10280720 -0.00397576 -0.00064063 -0.00006253 -0.03549699 0.00067574 -0.01681242 -0.00473117 -0.00036398 0.00139483 +H 8.81201773 8.10068309 7.05353015 0.01576334 -0.02058316 -0.00841614 0.01138502 -0.11408727 0.15190681 -0.01658038 -0.02470562 -0.00673252 +H 9.69321606 7.16553596 5.96966998 -0.02024903 0.00578229 0.01115900 -0.04239993 -0.01465179 -0.04350717 0.00658621 -0.00692450 -0.02484851 +H 8.71647986 8.62576754 5.47601417 -0.00834519 0.02450646 0.00195848 -0.01377590 -0.01096534 0.04216967 0.00149502 -0.00946734 -0.00008608 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.08883074 5.71693088 5.87987672 -0.00478431 -0.00000158 0.00398836 -0.05004264 -0.00790081 0.02836187 -0.00811819 -0.00239798 0.00392896 +C 2.35671272 6.08778371 5.96913343 -0.00839985 0.00340711 0.00005159 -0.01645335 0.05551946 -0.00529274 0.00144707 0.00621002 -0.00271366 +H 1.00092149 4.84217432 5.63755628 0.00485826 -0.00883094 -0.00868070 0.00623617 -0.00288132 -0.03722842 -0.00318121 0.01878097 0.00155363 +C 2.69162440 7.50519806 6.27410427 -0.00177695 0.00269868 -0.00234561 -0.06444675 -0.02935284 -0.01837996 -0.01064764 -0.00538482 -0.00187031 +H 3.15731949 4.13678604 5.33959135 0.03002577 -0.00391210 -0.00282362 0.12109296 -0.00427812 -0.00105253 -0.00201537 0.00318739 0.00182760 +C 3.97306905 7.93085281 6.27414828 -0.00144646 0.00150833 -0.00112019 0.02483708 -0.00915004 -0.00578177 0.00273572 -0.00608879 -0.00036837 +H 1.84161325 8.12657370 6.49906662 -0.00409559 0.01433394 0.01135593 0.06713694 0.09297879 0.04038848 0.01251641 0.00494056 -0.00167228 +C 4.99980134 6.97960250 5.99698600 -0.00015905 -0.00371507 0.00159032 -0.03163130 -0.02204588 -0.00196484 -0.00521058 -0.00016676 -0.00168418 +H 4.27441215 8.95917331 6.51598206 0.00950409 -0.00616990 0.01128919 -0.03594398 -0.03000678 0.05228288 -0.01151612 0.00758816 0.00416137 +C 4.67716954 5.59988121 5.66092816 0.00324614 0.00007186 0.00105027 0.03007119 0.02837529 0.01202266 0.00398841 0.00668450 0.00111228 +N 6.24551809 7.50321314 6.02401015 -0.00595278 0.00141780 -0.00280982 -0.00268002 -0.01184510 -0.01240594 0.00389334 -0.00650814 -0.00154096 +C 3.36050621 5.16389227 5.62497052 0.00409411 -0.00100284 -0.00045503 0.01774449 0.00961599 0.00553809 0.00126061 0.00527752 0.00246174 +H 5.42896964 4.83253162 5.45842504 0.01812217 0.04528198 -0.02116155 0.11506250 0.20789033 -0.15450139 0.00354739 0.00258203 -0.01725070 +C 7.41518141 6.83116778 5.76811303 -0.00039960 -0.00275751 -0.00017731 0.00621710 0.01243708 0.00204087 0.00374587 0.00332111 -0.00056717 +H 6.30276717 8.41606708 6.49226243 -0.00879284 0.00736367 0.00652889 -0.00772459 -0.04023674 -0.04096237 0.00757937 0.00411087 -0.00638331 +O 7.54566111 5.79349832 5.13574423 0.00851373 -0.00825250 -0.00498805 0.05895333 -0.04672963 -0.02674820 0.00806655 -0.00274985 -0.00136688 +C 8.64929417 7.55703931 6.35313480 0.00229902 0.00670467 0.00704908 0.01822757 0.01930807 0.03328851 -0.00011641 0.00006049 0.00119207 +H 8.61764886 7.35202524 7.44728724 0.00416275 -0.01679970 -0.00192618 0.03672816 0.01268882 0.00035624 0.00794143 0.01344942 0.01544657 +H 9.63730547 7.17597756 6.06530964 0.01797293 -0.01312059 -0.01334295 -0.09935897 -0.03364219 -0.09650741 -0.02564679 0.00468902 -0.01625535 +H 8.68103231 8.60067444 6.07747407 -0.01793537 0.01076160 0.00643091 -0.12351592 0.05815180 0.12816271 -0.00917945 -0.00530899 0.02836541 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04078075 5.64410105 5.93161740 0.00246363 -0.00563237 -0.00208294 0.02875040 -0.03153719 -0.01037136 0.00316576 -0.00600388 -0.00125715 +C 2.36477882 6.06684588 5.91013836 0.00057918 0.00324859 0.00106709 -0.04791998 0.04632294 0.02484829 -0.00965335 0.00826944 0.00424486 +H 1.03228773 4.76202213 5.67287124 -0.02219087 0.00898648 0.00654033 -0.16712296 -0.05888060 0.00076913 -0.00976917 0.01898591 0.00500369 +C 2.63649825 7.34972901 6.45871942 -0.00806845 0.00304026 0.00246540 -0.04329170 0.02986662 0.01879841 -0.00094718 0.00126167 0.00067942 +H 3.12773430 4.29653883 5.01770509 0.01968695 0.03923674 0.01437783 0.05528818 0.00662595 -0.03564171 -0.00067273 -0.00615482 -0.01347163 +C 3.96839211 7.83688856 6.43134185 0.00393207 -0.00854529 -0.00790282 -0.01305396 -0.04623626 -0.03425058 -0.00864001 -0.00259369 -0.00134249 +H 1.87388997 8.04532439 6.93134535 -0.03291452 0.00668879 0.03438717 -0.02871017 -0.20307668 0.05352253 -0.01217108 -0.01958949 0.00678245 +C 4.98970209 7.06008636 5.83628652 0.00018518 0.00388019 0.00235510 -0.00345410 0.01194578 0.01096729 0.00008078 -0.00285581 -0.00060674 +H 4.11303959 8.75907771 7.00086699 -0.00420011 -0.00432076 -0.01291802 0.07635119 -0.02383484 -0.16365021 0.02272628 0.00609709 -0.02273883 +C 4.62603250 5.83697534 5.24332069 0.00250408 -0.00445405 -0.00048561 0.03419969 -0.02701683 0.01290053 0.00747349 -0.00041397 0.00497990 +N 6.28290937 7.54264626 5.92966707 -0.00294007 0.00108101 0.00603006 0.00909034 0.01272608 0.03025975 0.00556139 0.00029481 0.00215054 +C 3.33479696 5.28527466 5.36554177 0.00103991 0.00879323 -0.00037713 0.02968932 0.07065077 -0.00993740 0.00412445 0.00807012 -0.00272784 +H 5.40886001 5.19915912 4.82549516 0.00306500 0.00099784 0.01313104 0.01894456 -0.03158958 0.01711224 0.00584340 -0.01401781 -0.00977940 +C 7.46426436 6.87461060 5.92368506 -0.00389645 -0.00849681 -0.00531252 -0.02840417 -0.07302702 -0.02352692 -0.00193269 -0.00478991 -0.00087835 +H 6.35417799 8.54777724 5.97301084 0.02747033 0.00894577 -0.00891431 0.13223006 -0.01798542 -0.01947105 0.00573685 -0.00300788 0.00471357 +O 7.50893314 5.60548460 5.93138327 -0.00143693 -0.00089757 0.00157066 -0.00980949 0.00510088 0.00932005 -0.00145527 -0.00060482 0.00101399 +C 8.78613760 7.59730912 5.93409590 0.00684063 0.00805216 -0.00077648 0.02380816 0.04250095 -0.00477568 -0.00237357 0.00203447 -0.00615824 +H 9.25030420 7.38101976 5.02489411 -0.00586503 -0.00273332 0.00927559 0.08927002 -0.05186632 -0.05265103 0.01008827 0.00157189 0.01120166 +H 8.59420931 8.65891793 5.91020686 -0.00213852 -0.01153672 -0.01829889 0.02170883 0.08423731 -0.05498608 0.01411126 0.01760891 0.00772481 +H 9.47879822 7.37451485 6.80186244 0.00451435 -0.02339692 -0.00639533 -0.04787352 -0.11631602 -0.08951016 0.00109360 -0.00772722 0.00610059 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.90507455 5.78215270 5.85397607 -0.00638811 0.00421813 -0.00800589 -0.01065975 0.03682556 -0.05026106 0.00192803 0.00644083 -0.00713780 +C 2.29537465 6.04665592 5.95746006 0.00054131 0.00229863 0.00204757 -0.02762609 -0.01649586 0.02257876 -0.00547751 -0.00619652 0.00392552 +H 0.52947641 6.25069548 5.16807894 -0.00076219 -0.00425088 -0.02020420 -0.01728878 -0.04482925 -0.12713778 0.00928075 -0.01951566 0.00394870 +C 3.05188326 5.51122526 7.00502830 0.00911920 -0.00606659 0.00266987 0.04303036 -0.04234398 0.03052368 0.00142777 -0.00471038 0.00320705 +H 2.40794703 7.08868159 4.17680310 0.00944129 0.00343414 -0.00103702 0.04336726 0.02199959 -0.12423545 0.01606113 -0.01234577 -0.00209928 +C 4.46020005 5.71259243 7.17334299 -0.00084341 0.00106371 0.00490455 -0.00137815 0.00584718 0.01816484 0.00031059 0.00203184 -0.00192117 +H 2.47034557 4.94086752 7.75416501 0.01826230 -0.01780577 -0.00305033 0.17306881 -0.12957135 -0.00962051 0.01670991 -0.02740252 0.01370558 +C 5.15394489 6.47681943 6.18385596 0.00848122 -0.00071370 0.00677964 0.02494646 -0.01677835 0.04439116 -0.00410122 -0.00192440 0.00226796 +H 4.97862382 5.19619032 8.04378757 0.00025857 -0.00972068 -0.00090386 -0.02936365 0.03998135 -0.06705030 0.01268089 -0.00075234 0.01805837 +C 4.37315158 6.94444105 5.10113521 -0.00545511 0.00277873 -0.00170286 -0.02981411 0.01387287 -0.01644614 -0.00160010 -0.00205787 0.00244469 +N 6.53749691 6.63446547 6.39474229 0.00404184 0.00222195 0.00397147 0.00784450 0.01343377 0.04151065 -0.00252270 0.00098845 0.00790339 +C 2.97092505 6.68426493 4.95320050 -0.00510221 -0.00258781 -0.00143117 -0.00786836 0.00783987 -0.00415141 0.00024325 0.00527860 -0.00141804 +H 4.81931046 7.54925924 4.25111358 -0.02340503 -0.01272628 -0.01272118 -0.08677321 -0.08891321 -0.01593224 0.01656724 0.00926730 -0.01971682 +C 7.43608641 7.26919043 5.62275439 -0.00321245 -0.00183405 0.00867722 -0.02052127 -0.01019324 0.05624870 -0.00185315 0.00161747 0.00108533 +H 6.80991441 6.37090172 7.33664657 -0.01065931 -0.00738429 0.01351625 0.02673074 -0.02254246 -0.00286812 0.02212453 -0.00255903 0.00136149 +O 7.18568915 7.64283548 4.52454821 -0.00140619 0.00142670 -0.00432623 -0.00694352 0.01067700 -0.03592837 -0.00042295 0.00042882 -0.00273392 +C 8.74711806 7.62189138 6.29281559 0.00191315 0.00170415 -0.00614735 0.01146485 0.00364503 -0.03872686 0.00004974 0.00099695 -0.00511181 +H 8.86504657 7.33014452 7.37268967 0.01209029 -0.01305959 -0.02246796 0.02282385 -0.10444438 -0.12983264 -0.00301331 -0.01567732 0.00979274 +H 9.62835626 7.23181362 5.69828657 -0.00213380 -0.00296051 0.01899903 -0.00485465 0.00935413 0.04701398 0.01735186 -0.00686395 -0.02341840 +H 8.67117891 8.70818712 6.31398069 -0.00038771 -0.01599682 -0.01981956 0.13522057 0.02900392 -0.12066189 0.03448299 0.01223184 -0.00814938 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96267427 5.75027425 5.79294732 0.00751082 -0.00235568 -0.00818754 0.03354793 -0.02542675 -0.04981523 0.00239846 -0.00444147 -0.00619089 +C 2.26556712 6.10239095 5.81359750 -0.00280437 -0.00126216 0.00637091 0.03092383 0.01191656 0.00385146 0.01056594 0.00281631 -0.00323892 +H 0.71027920 5.05523293 6.34781678 -0.02229149 0.00681553 0.01694159 -0.05751083 0.14656517 0.06777916 0.00468330 0.03102082 0.00745569 +C 2.85937017 6.72559440 4.64585976 -0.00465947 0.00222428 0.00129086 -0.00922448 0.00946017 0.03973122 0.00160859 0.00179734 0.00649993 +H 2.75450442 5.15898224 7.68224705 0.00002238 0.02906717 0.03624600 0.07911998 0.27633739 0.12944665 0.00930826 0.02669878 0.01939272 +C 4.25557530 7.06403647 4.58760589 0.00365778 0.00293586 -0.00236901 -0.02114884 0.01629516 -0.00991879 -0.01096210 0.00134414 -0.00078407 +H 2.23153698 6.93352731 3.79293603 0.01750502 -0.00034821 0.02578893 -0.03213030 0.04874450 0.00411817 -0.01364633 0.00749617 -0.00311095 +C 5.08259381 6.79728223 5.69358095 -0.00129732 -0.00527182 -0.00103192 -0.03392384 -0.02684851 -0.03335039 -0.00585605 -0.00215613 -0.00726827 +H 4.69500787 7.56421704 3.73456705 -0.01611819 0.01436725 -0.01596623 -0.16183882 0.03198872 -0.05348047 -0.02045018 -0.00418550 0.00267149 +C 4.53778199 6.12457947 6.81012457 0.00214401 0.00290221 0.00162578 -0.00453918 0.00871373 -0.00481824 -0.00135670 -0.00109715 -0.00093281 +N 6.33916047 7.24265503 5.45572811 -0.00533821 -0.00042152 0.00475571 -0.00547602 -0.00907995 0.03471139 0.00220562 -0.00074408 0.00189129 +C 3.14481180 5.79259810 6.85859609 0.00582064 -0.00143289 -0.00046709 0.03503387 -0.01896788 0.01934368 0.00372619 -0.00127131 0.00365762 +H 5.18982698 5.68849532 7.53496521 -0.01263211 0.01661824 -0.01668382 0.00437039 0.13547637 0.12785767 -0.00382101 0.03020348 0.02925925 +C 7.43652992 6.97448701 6.17225005 -0.00012809 -0.00247747 -0.00220496 0.00695529 0.01126930 -0.02161641 0.00213816 0.00335691 -0.00035669 +H 6.52462961 7.72638919 4.62267678 -0.00992804 -0.00640457 0.00230373 -0.08646222 0.02080586 -0.00189693 -0.01263989 0.00095942 0.01865405 +O 7.41822986 6.30010881 7.14786229 -0.00714059 0.00066800 0.00178202 -0.04090268 -0.00943408 0.02834989 -0.00394267 -0.00215852 0.00458455 +C 8.74411249 7.71483333 5.80972939 0.00734473 -0.00159514 -0.00421785 0.02355834 -0.00970634 -0.01010647 -0.00004519 -0.00312338 -0.00010261 +H 8.69247577 8.72280956 6.27564717 0.00102716 0.00742358 0.01767810 0.04842817 -0.08110814 0.00378733 0.01441427 -0.00905830 0.00146723 +H 9.50051930 7.18520343 6.39670430 -0.00101535 -0.01654245 -0.02291930 0.10945411 -0.10464375 -0.23332309 0.02355799 -0.00784414 -0.04013662 +H 8.95509035 7.74186513 4.72155309 -0.00835244 0.02903815 0.00414976 -0.03989454 0.17991329 0.01524848 -0.00538761 0.01994371 -0.00634139 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98655177 5.50482934 5.98967134 -0.00136997 -0.00296399 -0.00079752 0.02615789 -0.00322247 -0.00590152 0.00835630 0.00119106 -0.00317031 +C 2.28438955 6.03262834 5.95630857 0.01426736 -0.00095198 -0.00118241 0.05277851 -0.01651089 0.01633099 -0.00024357 -0.00426218 0.00342966 +H 0.71831586 5.22783334 5.15345288 0.00814537 -0.00718717 0.01556263 -0.00502196 -0.09786593 -0.00909153 0.00608771 -0.00414119 0.02245752 +C 2.81446805 6.48064535 7.21042704 0.00384712 0.00664885 0.00411879 0.01216011 0.03548811 -0.00526187 -0.00089767 0.00298973 -0.00583178 +H 2.65214154 5.70538518 3.78813761 -0.02460271 0.00864676 -0.00002158 -0.09931943 0.11499084 0.06749013 -0.01027245 0.01030440 -0.01737867 +C 4.17884273 6.81839831 7.29539966 -0.00955518 0.00198063 0.00262280 -0.02572117 0.01081485 0.01542740 0.00326605 0.00098358 -0.00138856 +H 2.15176363 6.51307789 8.09906810 0.00112837 0.01349284 -0.01860703 0.00760980 0.05673592 -0.03957685 -0.00601576 0.00285635 0.01669553 +C 5.00932742 6.76165630 6.15655320 -0.00202542 -0.00154447 -0.00149009 -0.00673125 0.01341845 -0.01428182 -0.00094719 0.00525293 0.00148721 +H 4.67978358 7.04792082 8.24212967 0.01625576 -0.00203272 0.01559306 -0.10729962 -0.01192250 -0.00138548 -0.03112114 0.00508113 0.00686090 +C 4.43513413 6.53146472 4.81544636 -0.00378653 0.00616089 0.00319599 -0.03183980 0.02240368 0.06139238 -0.00392915 0.00016206 0.01015431 +N 6.38398785 7.09977909 6.43736165 -0.00448697 -0.00220961 0.00357978 -0.01562784 -0.02759981 -0.00547857 -0.00061310 -0.00504991 -0.00402712 +C 3.05684470 6.08511961 4.77440857 0.00100422 -0.00403009 -0.00590195 0.02639405 -0.01959966 -0.03547061 0.00535210 -0.00024354 0.00171379 +H 5.07423102 6.52270601 3.92791588 -0.00678568 0.00676697 0.01875164 -0.04336483 0.07682948 0.05706800 -0.00489500 0.01536753 -0.00151581 +C 7.53060584 7.06723151 5.62166555 0.00080130 -0.00010764 -0.00090063 -0.04364708 0.00474799 0.02231348 -0.01072255 0.00060846 0.00246776 +H 6.56536114 7.28125792 7.39607479 -0.00072543 -0.00269274 0.01427083 -0.01373072 -0.00822897 -0.00287336 -0.00483409 -0.00156611 -0.01925202 +O 7.48434471 6.79652416 4.43671059 0.00284897 -0.00141741 -0.00620453 0.02454792 -0.00825061 -0.03763116 0.00354924 -0.00043654 -0.00229854 +C 8.84216706 7.43032108 6.35411897 -0.00310308 -0.00245061 0.00223720 -0.01459860 -0.01340959 -0.02296716 -0.00340866 0.00138534 -0.00460140 +H 9.69507465 7.01094391 5.73924955 0.01994569 0.01028173 -0.01739010 -0.03878255 0.05348469 0.08710395 0.00154966 -0.01086229 0.01267698 +H 8.98532619 8.48066104 6.28524049 0.02207232 0.01031045 0.02022293 0.06094704 0.00025842 0.20278018 -0.01137859 -0.02543434 0.02882983 +H 8.77012538 7.04034249 7.38580824 -0.01383394 -0.00532594 -0.01915852 0.02314861 -0.06374373 -0.04106807 0.01782917 -0.01534509 0.00484227 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96256133 5.72993414 5.89870931 0.00187185 0.00044915 0.00125290 0.01413039 0.01935565 0.01849656 0.00054058 0.00282533 0.00360846 +C 2.27230844 6.15268746 5.98303554 -0.00496449 0.00327070 0.00413315 -0.01040988 -0.01948170 0.00168272 0.00338413 -0.00637390 -0.00267209 +H 0.97441021 4.81361852 5.64195634 -0.01605230 0.01688895 0.02990938 -0.16091237 -0.02614439 0.16344651 -0.02061769 0.00699341 0.02150106 +C 2.69410754 7.33817129 6.50077924 -0.00324192 -0.00467356 0.00047674 -0.02186862 0.02584820 0.01143450 0.00015140 0.00829337 0.00044422 +H 2.89029905 4.40881025 5.01778580 -0.03600378 0.00399451 0.00683865 -0.04525517 -0.00773757 0.01822361 0.02489136 -0.00297651 -0.00244233 +C 4.03596935 7.73341343 6.40362940 0.00281885 -0.00191431 -0.00149284 0.01283034 -0.01114485 0.00555373 -0.00025496 -0.00049997 0.00296705 +H 1.98600701 8.07804168 6.92111461 -0.00016987 0.03426679 -0.01710328 0.03242728 0.03542682 -0.11633299 -0.01484568 -0.00017992 -0.00089528 +C 5.03816053 6.94095225 5.86361599 -0.00004009 -0.00743844 -0.00413597 -0.01314677 -0.05422427 -0.03745341 -0.00106159 -0.00475019 -0.00524122 +H 4.37092957 8.62206329 6.87329586 0.00320375 -0.00142029 -0.00819033 -0.04477008 0.08784362 -0.06812299 -0.01520912 0.00592360 -0.01793730 +C 4.63053257 5.69323505 5.32156968 0.00727162 -0.00504685 -0.00814026 0.03666390 -0.03872460 -0.03857907 -0.00088844 -0.00715177 -0.00278906 +N 6.28776635 7.46402746 5.85947964 0.00246968 0.00279195 0.00208858 0.01585564 0.00644964 0.01380768 0.00120634 -0.00001002 0.00238894 +C 3.27350033 5.31954342 5.42358843 0.00135735 0.00148537 -0.00305295 -0.01438264 0.00486138 -0.02617293 -0.00395313 -0.00067905 -0.00443145 +H 5.41281539 5.01728759 4.92996471 -0.01798026 -0.01980455 0.00756225 -0.09613117 -0.14644763 -0.04090631 0.00432540 -0.01964034 -0.02051000 +C 7.46897100 6.84003461 5.82269462 -0.00361890 -0.00921999 0.00125489 0.00528950 0.00931001 0.03318449 0.00542056 0.01174853 0.00780290 +H 6.26465496 8.43406947 6.00157088 0.00595437 0.00136649 0.02442539 0.11799518 0.01033276 0.16003083 0.01876729 -0.02226281 0.01343237 +O 7.68885807 5.67194472 5.68812407 -0.00467053 0.00463270 0.00018206 -0.03537690 -0.00281883 -0.00603416 -0.00519141 -0.00503692 -0.00179962 +C 8.65544065 7.75804973 6.15283152 0.00719772 0.00904516 0.00521710 0.02861410 0.03841031 0.01062166 0.00040546 0.00269110 0.00042157 +H 8.78048163 7.90116258 7.19785690 0.00187037 0.01814145 -0.02456370 0.00477472 0.13277101 0.08671078 0.00274684 0.00571618 0.01029631 +H 9.60087846 7.27555046 5.88048636 -0.01255918 -0.00820058 -0.01883839 -0.05412645 0.02019181 -0.17355883 0.00138819 0.01482988 -0.02097276 +H 8.48862861 8.71668010 5.66353581 0.00104905 0.00799266 0.01655911 0.08180273 0.07960719 0.05422527 0.01743699 0.00777726 -0.00269654 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01739333 5.54719959 5.82168098 -0.00154358 0.00688587 0.00206316 0.00067905 0.05337815 0.00017200 0.00200090 0.00861138 0.00085585 +C 2.30022593 6.06006577 5.94651131 -0.00038594 -0.01099521 0.00375947 0.03036472 -0.07276790 0.00316584 0.00825295 -0.00840565 -0.00483717 +H 0.86177695 5.34631476 4.89849697 0.01582397 -0.00056966 -0.02297714 0.04951101 0.02917419 0.04379341 -0.00930902 -0.00135996 -0.00870365 +C 2.99101798 6.00887830 7.19166656 0.00035121 0.00394637 -0.00419659 -0.02573409 0.01536088 0.01025915 -0.00535077 -0.00014255 0.00488971 +H 2.73286447 6.42745609 3.81262443 -0.00254670 0.01198295 0.00732360 -0.10960734 0.09900796 -0.02839167 -0.02294142 0.01293292 -0.01004363 +C 4.33862257 6.26754001 7.42161028 0.00350661 -0.00038549 0.00175258 0.02480895 -0.00873991 -0.03576340 0.00136940 -0.00251496 -0.00834418 +H 2.48627123 5.76076644 8.13054159 -0.02133509 -0.01612920 -0.01071737 -0.15826928 -0.10090468 -0.16609409 -0.02386035 -0.01073371 -0.01169915 +C 5.09144073 6.53621234 6.22159370 -0.00161599 -0.00138981 -0.00131930 0.00715198 -0.00643827 0.01106640 0.00451083 -0.00027488 0.00424321 +H 4.76765921 6.11282731 8.38230527 0.00674661 -0.00278947 0.00447922 0.04413851 0.04668429 -0.00421137 -0.00055859 0.01525089 -0.02047459 +C 4.46135963 6.63289761 4.94074858 0.00393507 -0.00233650 0.00507390 0.03641781 0.00485549 0.03109612 0.00266547 0.00295537 0.00296212 +N 6.47591019 6.66837487 6.34706570 0.00107111 0.00308051 0.00666260 -0.01009991 0.02557004 0.05534029 -0.00332816 0.00305786 0.01122248 +C 3.11569953 6.40842016 4.83157596 -0.00162902 -0.00017466 -0.01039351 -0.03651557 -0.01658238 -0.04885490 -0.00547641 -0.00403864 -0.00184893 +H 4.96794875 6.96630306 4.05255192 0.03403385 0.03473531 0.00909747 0.12852033 0.05343207 0.15262372 -0.00141629 -0.01718542 0.01758650 +C 7.37247038 7.32497529 5.62847391 -0.00451385 -0.00252222 0.00069283 -0.02403232 -0.03333028 0.01395310 -0.00054414 -0.00514365 0.00139804 +H 6.88365380 6.41938761 7.20799006 -0.00253810 0.01604737 -0.00115096 -0.02642031 -0.01106091 0.10439586 -0.01495894 -0.00919019 0.00314997 +O 7.10336370 7.97653456 4.66215712 -0.00637677 -0.00351399 -0.00027653 -0.03940457 -0.01284217 -0.01585483 -0.00443813 -0.00091858 -0.00306486 +C 8.77137706 7.07941548 6.10957776 0.00640141 -0.00039482 -0.00188892 0.04395065 0.01241596 -0.03512294 0.00521359 0.00466550 -0.00619267 +H 8.85923576 6.90951870 7.17939374 -0.00296870 -0.00847952 -0.03012276 0.00036552 -0.06568979 -0.00518677 0.00482699 -0.00849302 0.00929922 +H 9.14795129 6.16656423 5.59789864 0.01315259 0.02830693 -0.00655205 0.14177888 0.11492078 -0.09567602 0.02762154 -0.00132762 -0.02363001 +H 9.39038533 7.90948454 5.81197837 -0.00162471 0.01039700 0.00736468 0.01279038 0.08957502 0.07683873 -0.00126683 0.00922021 0.01573732 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96885352 5.67427080 5.66879074 -0.00017204 0.00092769 0.00129716 0.00938868 0.01473579 0.02073942 0.00332838 0.00241123 0.00324915 +C 2.32707140 5.96219803 5.79107715 0.00609323 -0.00551351 0.00033048 0.01682671 -0.04035033 0.00579047 -0.00238858 -0.00341537 0.00236608 +H 0.44636501 5.95629069 6.38502088 -0.02616828 -0.01445701 0.01475447 -0.04294578 -0.08927605 -0.00733790 0.00714838 -0.00537136 -0.00108573 +C 3.18509649 4.96244998 5.25016531 0.00567334 0.00423077 -0.00386306 0.03023778 0.03125464 0.00275752 0.00126916 0.00113208 0.00317797 +H 2.14824079 7.93195778 6.69855918 0.00639993 0.03811938 -0.01093785 0.16408967 0.03338070 -0.01746883 0.01109471 -0.01089049 0.01282750 +C 4.57101027 5.22302645 5.34361463 -0.00728278 -0.00248217 0.00148864 -0.03196789 -0.01665939 -0.01618636 0.00204352 -0.00059675 -0.00549837 +H 2.79493454 4.01922640 4.96545942 0.02540736 -0.01908477 0.00916203 0.14899260 -0.01464720 -0.04326166 0.01258822 0.02647485 -0.01655114 +C 5.11728403 6.42760217 5.77078399 -0.00010235 0.00377694 -0.00105840 -0.01935742 0.01227891 0.01670423 -0.00589061 -0.00131173 0.00509548 +H 5.19869477 4.49507475 4.89809700 -0.01017049 0.00205756 -0.00803974 -0.02615083 -0.06010288 -0.00761898 -0.00598814 -0.00753210 0.01085539 +C 4.26103079 7.35648391 6.39337115 -0.00521178 0.00355865 0.00287336 -0.02674112 0.03774979 0.00944749 -0.00197716 0.00495342 -0.00040020 +N 6.49575081 6.47887108 5.69769152 -0.00417614 0.00073369 0.00055899 -0.01588880 -0.00081746 -0.01331588 -0.00018696 -0.00001863 -0.00376258 +C 2.85818309 7.13669346 6.42585688 0.00250999 -0.00225139 -0.00048143 -0.00339420 -0.00993930 -0.02719989 -0.00133122 -0.00197425 -0.00754433 +H 4.65805947 8.32807402 6.67090946 0.00043830 0.00976361 0.01749718 -0.06624942 -0.02553727 0.15809828 -0.01265100 -0.00551261 0.02542714 +C 7.38863146 7.44045288 6.03292564 -0.00107755 -0.00203241 -0.00088047 -0.00712805 -0.02136746 0.00648138 -0.00070471 -0.00382073 0.00243992 +H 6.77148471 5.59844035 5.28651233 -0.02075495 -0.00890249 -0.01427206 0.05246323 0.07617134 -0.06828098 0.03326746 0.01694790 -0.01009836 +O 7.02277088 8.38691865 6.70003935 0.00079977 -0.00366415 -0.00606096 0.00463696 -0.00836456 -0.03860790 0.00014265 0.00164148 -0.00456152 +C 8.90683897 7.31071202 5.77435877 0.00288168 0.00439494 0.00352971 0.00070127 0.01084402 0.03600718 0.00057237 -0.00271440 0.00640929 +H 9.12393612 6.40102952 5.25442830 0.00367178 0.01669567 0.01965852 0.04148439 0.02895461 -0.07732995 0.00005795 0.01098587 -0.02865737 +H 9.30686335 8.18926869 5.29692341 0.01521273 -0.00145739 0.02259886 0.12439492 0.03531086 0.10803006 0.00639243 -0.00113462 0.01578181 +H 9.36474174 7.14516372 6.71178211 0.01251928 -0.03336795 -0.00568044 0.08852361 -0.11942786 0.02103890 -0.00422703 0.00428611 -0.00742580 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.90467930 5.78282975 5.91439003 -0.00426600 -0.00873909 0.00476596 -0.01597938 -0.05141524 0.02570477 -0.00000177 -0.00684299 0.00382800 +C 2.23048231 6.11539874 5.80319953 -0.00319417 -0.00353980 0.00500516 -0.00724748 0.00159984 0.01845623 -0.00269316 0.00550651 -0.00103532 +H 0.78353614 5.08949720 6.55726543 0.00452749 0.01851045 -0.00061838 -0.02845058 -0.01275845 0.10284589 -0.00774709 -0.00163929 0.00837578 +C 2.61830611 7.35002485 5.13599189 -0.01004089 0.00272195 -0.00260718 -0.02017477 0.00010573 -0.01126091 0.00447698 -0.00263503 -0.00030761 +H 2.92553078 4.38671542 7.02735823 0.01535210 0.00203410 0.00962368 0.16945066 0.06750544 -0.07530423 0.00465877 -0.02301656 -0.00306440 +C 4.01724260 7.76774186 5.11225809 0.00353721 0.00576304 -0.00677850 -0.00156333 -0.00454306 -0.02055360 -0.00538087 -0.00434592 -0.00079595 +H 1.92075442 7.95932162 4.58489024 -0.00000151 0.00789489 -0.01205017 -0.05889727 0.01561802 0.02687711 -0.01027749 -0.00817896 0.02117174 +C 5.02850185 6.91597549 5.75213175 0.00199290 0.00725146 -0.00365585 -0.01306650 0.05932123 -0.03843200 -0.00357225 0.00513856 -0.00450601 +H 4.30613435 8.70678808 4.66886066 0.00829316 -0.00578978 0.00228983 0.03190977 0.00207636 -0.05474299 -0.00578380 -0.00613690 -0.01064533 +C 4.56501467 5.73064413 6.34720036 -0.00001874 -0.00270172 -0.00432295 0.03016784 -0.02072768 -0.01676944 0.00379485 0.00004782 -0.00297417 +N 6.36177502 7.38198106 5.77464832 0.00088141 0.00259594 -0.00017424 0.01203980 0.03217911 -0.00587240 0.00218650 0.00427446 -0.00132725 +C 3.27695680 5.27807731 6.39340705 -0.00559094 0.00372353 -0.00179603 -0.07857307 0.04587724 -0.01122876 -0.00767645 0.01095882 -0.00218401 +H 5.24813835 5.11266692 6.93865005 -0.00736855 -0.01501616 0.00147549 0.01430283 -0.04984508 -0.07914012 0.02145962 -0.00702186 -0.01551768 +C 7.55510648 6.84266604 6.06024518 0.00692781 0.00072085 0.00287358 0.01695539 -0.01073430 0.02361021 -0.00232131 -0.00304739 0.00344829 +H 6.49733084 8.37549444 5.55712612 0.01174701 0.00821833 -0.01437623 -0.00389551 -0.03640334 -0.10752544 -0.00563555 0.00763982 -0.02062577 +O 7.71650775 5.69070442 6.43277485 0.00181608 -0.00542251 0.00228184 0.01065918 -0.03679380 0.01314765 0.00111137 -0.00436954 0.00133358 +C 8.73214856 7.75499935 6.01256025 0.00449362 0.00379117 0.00430034 0.03727282 0.01753866 0.02208948 0.00625595 0.00191202 0.00342951 +H 9.61836132 7.14025144 5.85018415 -0.00885875 -0.00193662 -0.02147455 0.00325516 0.00471755 -0.09241864 0.00791370 0.00210062 -0.00288157 +H 8.68080774 8.51139386 5.26765587 0.02483999 0.00099471 -0.00073807 0.10092116 0.05048199 -0.01613651 0.00020485 0.00288172 0.01638125 +H 8.74164685 8.23746627 6.95507370 0.00066467 -0.03748006 0.00961519 0.12023417 -0.14228587 0.16667003 0.03200693 -0.00934359 0.00201249 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01113318 5.67669379 5.90757350 0.00479382 -0.00300218 -0.00197307 0.01867598 -0.02566726 -0.01235783 -0.00022295 -0.00215079 -0.00130521 +C 2.29355345 6.13042854 5.85721121 -0.00588833 -0.00522447 0.00946483 -0.02573122 -0.00107476 0.06927102 0.00075772 0.00588399 0.00964570 +H 0.91968086 4.70139906 5.89071869 0.00082473 -0.00878810 -0.00755196 0.03437638 0.01354783 -0.07285377 0.00601042 -0.02671806 -0.01482359 +C 2.62910160 7.45207131 6.24729021 -0.00375378 0.00237601 -0.00165227 -0.03827479 0.01087662 -0.00155601 -0.00206484 -0.00255610 0.00030049 +H 3.16561455 4.21163135 5.34421085 -0.00124634 -0.01207694 0.00886250 -0.03951934 0.11357709 0.05416712 -0.00801850 0.03222363 0.00006891 +C 3.97647019 7.83471108 6.34041932 0.00175783 0.00014566 0.00161246 -0.01410390 -0.00058565 -0.00022845 -0.00812258 0.00139071 -0.00153974 +H 1.78416613 8.16832101 6.57116793 -0.00001809 0.01042217 0.00491147 0.10165868 -0.01092620 -0.03268961 -0.01921335 0.02464966 0.00171802 +C 4.99172927 6.95080824 5.95831225 -0.00979342 -0.00472209 -0.00301096 -0.01888458 0.01171667 0.00213892 0.00444332 0.00585356 0.00307229 +H 4.29974962 8.79449062 6.72280678 -0.02372793 -0.00320078 -0.01670061 -0.17314200 0.09324485 -0.08819317 -0.01723312 0.01471208 -0.00989050 +C 4.67719789 5.66460184 5.62185071 0.00931483 -0.00036115 -0.00457193 0.03782199 -0.02948474 -0.03167712 0.00088834 -0.00436867 -0.00447060 +N 6.30846371 7.43978051 6.15064529 -0.00766487 0.00678358 0.00132719 -0.05910843 0.01973053 -0.00479005 -0.00557893 -0.00139471 -0.00268720 +C 3.31941678 5.24453107 5.55191552 0.00013873 0.01949614 0.00131879 0.02917281 0.08248915 0.00445307 0.00648574 0.00270223 0.00042539 +H 5.46881778 4.91603850 5.62083592 0.01575329 -0.00201282 -0.01909674 0.01401793 -0.00189310 -0.24703804 -0.00577757 -0.00474369 -0.04546090 +C 7.45791756 6.88063331 5.76816781 0.00221305 -0.00800623 -0.00239995 0.01293848 -0.01853955 0.01821871 -0.00098513 0.00306578 0.00730291 +H 6.34974111 8.29805270 6.66402920 -0.01253257 -0.00064880 0.01728519 -0.03033581 -0.00641554 0.05589712 0.00028503 -0.00675903 -0.00678935 +O 7.62061026 5.79293900 5.25910900 0.00653333 -0.00166446 0.00267458 0.03875641 -0.02596799 0.00569007 0.00439325 -0.00528252 -0.00074686 +C 8.70525412 7.62515579 6.20405928 0.00109125 -0.00210749 -0.00092753 0.01276622 -0.02329148 -0.00882475 0.00224702 -0.00344852 -0.00371961 +H 8.81652986 7.62057048 7.32837274 -0.00853191 -0.00439537 -0.00613677 -0.03706174 -0.08217683 -0.06655629 0.00218970 -0.01517635 0.01440870 +H 9.51295534 7.06040044 5.74567779 0.01206736 -0.01502896 -0.01255834 0.06195148 0.06909278 0.01260777 0.00675904 0.02575547 0.01316264 +H 8.69074903 8.67679116 5.93722051 0.00275924 -0.00348672 0.00339291 0.02902184 -0.02523466 -0.06012697 0.00284339 -0.00813835 -0.01375599 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03014328 5.76723896 5.77690378 0.00422911 -0.00274093 -0.00239922 0.01461594 -0.02220358 -0.01587166 0.00135350 -0.00402575 -0.00007948 +C 2.34376981 5.98625321 5.97360306 0.00344458 -0.00078292 -0.00229344 0.02105712 0.00102280 -0.03320432 0.00141975 -0.00029093 -0.00360609 +H 0.64595530 5.93627830 4.89443768 -0.00583286 0.00346063 -0.00648335 0.05733585 0.03911416 0.02216204 0.00470173 0.01484410 -0.02236505 +C 2.96107997 5.51565898 7.11663754 0.00100020 0.01069185 0.00279108 0.02781095 0.07241197 0.02823621 0.00577050 0.00964668 0.00408197 +H 2.58022143 7.05136149 4.11330553 0.02086710 -0.02283095 0.02330141 -0.03424771 -0.10355463 -0.12701475 -0.01212161 -0.02028398 -0.02054173 +C 4.36315964 5.76966826 7.19796960 0.00476210 -0.00097873 0.00250956 0.01751588 -0.00265304 0.02799949 0.00189953 0.00193505 0.00276607 +H 2.41942202 5.03533218 7.89348007 -0.00900684 -0.00240291 0.02960340 0.04413020 0.05189892 0.01532104 0.01822171 0.01698240 -0.02212027 +C 5.08773069 6.53633349 6.27698410 0.00575036 0.00383191 -0.00289193 0.01915932 0.01159588 -0.05670776 -0.00015924 -0.00199146 -0.00931740 +H 4.83618268 5.37245214 8.09774238 -0.00909593 -0.01632123 -0.01498483 0.03869135 -0.08625185 -0.01955877 0.01893140 -0.00525261 0.00984338 +C 4.46313291 6.86203939 5.02677585 -0.00363684 0.00900255 -0.00906636 -0.03217179 0.05759393 -0.01897669 -0.00493735 0.00737337 0.00217922 +N 6.41723074 6.75405413 6.47195669 0.00486286 -0.00535035 0.00473977 0.04705235 -0.03707066 0.04198848 0.00560254 -0.00567713 0.00705759 +C 3.09110217 6.64322517 4.94369629 -0.00424854 -0.00323859 -0.00066070 -0.02628912 -0.02653816 0.00607824 -0.00317015 -0.00175080 -0.00313115 +H 4.92337529 7.38107193 4.21088032 -0.02085209 -0.00305513 -0.01439183 -0.05780750 0.01095632 -0.10469533 -0.00161965 0.00042427 0.00057177 +C 7.36150772 7.34869818 5.70775793 -0.00301305 -0.00784233 0.01030649 -0.02874085 -0.03518994 0.00218968 -0.00284908 -0.00131251 -0.00960067 +H 6.82396815 6.33390483 7.28610126 -0.02085533 0.00538176 0.01084662 -0.10437878 0.01985653 0.15305349 -0.00422035 0.00646493 0.01660742 +O 7.16700594 7.83711629 4.58211426 -0.00598401 0.00373203 -0.00086113 -0.04909962 0.01766336 0.01921895 -0.00807404 0.00092316 0.00659525 +C 8.78909838 7.34634836 6.07955479 -0.00284430 -0.00259688 -0.00396134 -0.01201365 -0.01829374 -0.00542973 -0.00091576 -0.00208683 0.00006798 +H 8.99641181 6.62143421 6.91520809 -0.00853217 -0.00541682 0.00155866 -0.01360247 0.00114986 -0.08450012 0.01011171 -0.01595106 -0.00213804 +H 9.30504188 7.11865217 5.15187039 0.00332442 0.00621322 -0.01490550 0.07828352 0.02804870 0.03823088 0.01327289 0.00203520 0.02455304 +H 8.96638682 8.39208294 6.39102969 -0.00420821 -0.00277203 0.01026482 0.04799945 -0.08836854 0.06398503 0.01659171 -0.00842979 0.01142410 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00502217 5.66818489 5.82085862 -0.00231141 -0.00142282 -0.00021086 0.00140496 -0.00643339 -0.00084484 0.00188515 0.00001686 0.00082513 +C 2.29864360 6.11982066 5.90793376 0.00432784 0.00131462 0.00723211 0.02108744 -0.00125311 0.04142695 -0.00034546 -0.00249995 0.00416461 +H 0.51172120 5.96193769 6.58773192 -0.01981851 -0.00587149 -0.03783888 -0.22300028 0.02643742 -0.17906139 -0.02004437 0.00860913 -0.02789615 +C 2.63699934 7.42825751 6.33651710 -0.00249019 -0.00227573 -0.00356119 -0.00059348 0.00938085 -0.01714196 0.00534932 0.00454679 -0.00135383 +H 3.06435046 4.31631821 5.10869611 0.00131974 0.00844382 0.00258464 0.00686716 -0.04086350 -0.05371113 -0.00019838 -0.00792855 -0.01132114 +C 3.98420666 7.84177107 6.23019120 0.00414678 0.00821704 0.00520474 0.03810252 0.01990676 0.03380763 0.00431200 -0.00057419 0.00398306 +H 1.91614097 8.16489676 6.70228650 -0.00104017 0.01973770 0.00490836 0.00507051 -0.02255551 -0.07556515 -0.01214988 -0.01036356 -0.01986769 +C 5.05752354 6.94752687 5.90309033 -0.00078949 -0.00675973 0.00305732 -0.03296836 -0.01443888 0.01528159 -0.00659025 0.00245251 0.00083833 +H 4.31313496 8.83397397 6.45816550 0.01690824 -0.01259565 -0.03457120 0.01854482 0.11001880 -0.11751184 -0.01697611 0.01445118 0.00244602 +C 4.73308578 5.66307758 5.48642436 -0.00171377 0.00146521 -0.00354562 -0.04860003 -0.01182309 -0.04856895 -0.01135603 -0.00383914 -0.00914058 +N 6.31413715 7.46681907 5.76638022 -0.00288366 -0.00482264 0.00199068 -0.01232395 -0.00782131 0.01467436 0.00074559 -0.00125063 0.00222435 +C 3.35592667 5.28995267 5.46636503 -0.00556238 -0.00334521 -0.00246810 -0.02682373 -0.02066564 -0.00885408 -0.00202010 -0.00330114 -0.00050984 +H 5.41421555 5.03986039 4.93472836 -0.00806542 -0.00927539 -0.02824255 -0.03610327 -0.02734053 0.00443254 -0.00014166 0.00013543 0.02456031 +C 7.44192652 6.82625760 5.88457425 0.00261251 -0.00489311 -0.00233869 0.03498905 -0.03042587 -0.00734165 0.00432407 0.00114625 -0.00046483 +H 6.39264055 8.46018166 5.74601088 0.02526423 0.03326142 0.00061208 0.06698702 -0.06570122 0.00450761 -0.00800800 -0.01939356 0.00053030 +O 7.57261407 5.60114495 6.05979929 0.00309821 0.00808820 0.00300560 0.02305732 0.04600554 0.01839100 0.00382567 0.00237843 0.00259070 +C 8.65338231 7.71738076 6.00167933 0.00159141 -0.00122923 -0.00105281 0.00519212 0.00609612 -0.01287400 0.00244108 0.00453261 -0.00209380 +H 8.77872406 7.94694303 7.03020889 -0.00371437 -0.01958376 -0.01485907 -0.01257566 -0.06501760 0.07743017 -0.00011780 -0.00392253 0.00405210 +H 9.59632147 7.31293668 5.72885363 -0.00813260 0.01642418 0.00370042 0.04454382 -0.02919547 -0.09769386 -0.00664632 -0.01090005 -0.01946657 +H 8.48555327 8.60421337 5.50072311 -0.00043228 0.02012140 0.00156588 0.02721167 0.10984110 0.00558017 0.00957613 -0.02068397 0.01637384 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99045895 5.84656397 5.89729303 -0.00196838 -0.00333736 -0.00522853 -0.02712147 -0.03617396 -0.04655793 -0.00369450 -0.00386444 -0.00606982 +C 2.27515225 6.18201582 5.85958935 -0.00386973 0.00457961 0.00169460 0.02472112 0.00536075 0.01426202 0.00712976 -0.00305937 0.00195891 +H 0.80978150 5.09131247 5.31598313 -0.00747495 -0.02882366 0.00053479 -0.02985825 -0.08448923 0.10960161 -0.00717031 -0.03322609 0.00475969 +C 2.63265388 7.36411430 6.53502661 0.00128092 0.00385481 -0.00000385 0.00887297 0.02519197 -0.01554398 0.00160835 0.00401247 -0.00314215 +H 3.00538558 4.33634016 5.03554210 -0.01281744 -0.00530276 0.03993462 -0.03674669 -0.10858586 0.16997940 0.01438360 0.01830321 0.01113039 +C 4.02832333 7.65884157 6.54409048 -0.00169480 0.00295658 0.00369879 0.00486138 0.02284504 0.01756076 0.00347402 0.00242933 0.00049568 +H 1.83837901 7.96997152 6.86157265 -0.02682876 0.02076091 0.02037861 0.08819173 0.04178167 0.12351621 0.04828561 -0.01358448 0.00685033 +C 5.04489170 6.85230167 5.91237996 0.00518743 0.00191388 0.00110841 -0.00651652 0.02358147 0.01024863 -0.00688136 0.00290819 0.00137041 +H 4.31462536 8.59743627 7.02348260 0.02756054 -0.00565839 0.00369701 0.11269984 -0.04239948 0.02090142 0.00022891 0.00390693 0.00853151 +C 4.65755317 5.63043518 5.30218696 0.00140864 -0.00572863 -0.00249213 0.02726358 -0.02861157 0.01412256 0.00592485 -0.00161827 0.00556133 +N 6.30420708 7.44460275 5.88786520 0.00099607 0.00379498 0.00573185 -0.00678677 0.00013559 0.04187825 -0.00239983 0.00051727 0.00639079 +C 3.31128397 5.25782232 5.38262245 0.00586253 -0.00052902 -0.00169195 -0.01561922 0.02448024 -0.00099577 -0.00890003 0.00266937 0.00114891 +H 5.37083056 4.89151777 5.07267728 0.00649944 -0.01447377 -0.01341443 0.02559162 0.00056854 -0.18784098 -0.01148890 0.02567347 -0.02492470 +C 7.49032919 6.84786348 5.86402246 -0.00073222 0.00308887 0.00138483 -0.00242645 0.02510219 0.00840224 -0.00023154 0.00042969 0.00055154 +H 6.25966370 8.41020900 6.06975792 -0.00559865 -0.01942659 -0.00704559 0.04584493 0.08260770 -0.03008830 0.01546170 -0.00402839 -0.00629082 +O 7.66624481 5.65244006 5.80604960 -0.00129692 -0.00328638 -0.00139924 -0.00474514 -0.02262268 -0.01008111 -0.00020295 -0.00136856 -0.00135192 +C 8.63814262 7.84791108 5.94295831 -0.00250041 0.00030288 -0.00500128 -0.01369938 -0.00318767 -0.03090205 -0.00049820 -0.00161721 -0.00250519 +H 8.97963901 8.01097085 6.96557689 0.00588655 -0.01501251 -0.02269040 0.01963780 -0.12406537 -0.01355773 -0.00370430 -0.01545939 0.01136963 +H 9.52008209 7.44646277 5.41627719 0.00739303 -0.00752866 0.01189076 -0.01942025 0.05733541 -0.02862886 -0.00563508 0.01544780 -0.02588962 +H 8.24578227 8.84758976 5.65799293 -0.01552619 0.00347582 0.00778288 0.06697725 -0.02057382 -0.05124768 0.02547339 0.00550566 -0.02135864 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.11401785 5.71899919 6.05915600 -0.00456363 0.00177151 -0.00086951 -0.05784915 0.00898451 -0.00313324 -0.01002591 -0.00058665 -0.00239903 +C 2.32044422 6.13365623 5.91741446 -0.00062276 0.00317912 0.00034274 0.03365235 0.01989803 -0.00465049 0.00623465 0.00124096 -0.00073547 +H 0.93523595 5.03103629 5.45970216 0.00289461 0.02264461 0.00860172 -0.06569327 0.00208534 -0.06070689 -0.01351656 0.01154539 0.00529860 +C 2.80166532 7.04944146 6.81687152 0.00289656 0.00125542 0.00013238 -0.02879596 0.03686285 0.03351782 -0.00651697 0.00669188 0.00541027 +H 2.97038898 4.78950180 4.32804868 0.00849476 0.00199897 0.01576024 -0.04630490 -0.02879040 -0.02718306 -0.01342907 -0.00222574 -0.01400771 +C 4.09299148 7.49560510 6.91650588 0.00124046 -0.00244194 -0.00040847 0.02924324 -0.03336346 -0.01676829 0.00374063 -0.00744309 -0.00341686 +H 2.04991695 7.48752331 7.49762759 -0.02797759 -0.00225928 0.00543589 -0.01039699 -0.05552467 -0.01229895 -0.00029978 0.00476446 0.01675714 +C 5.01337809 6.86513573 6.03301822 0.00551506 -0.00880040 -0.00736201 0.01332436 -0.01657583 -0.02034220 -0.00217518 0.00476267 0.00231106 +H 4.39381325 8.26367937 7.63718105 -0.02178926 -0.00234120 0.02326628 -0.11217280 -0.11857751 0.06464964 0.00517574 -0.01938463 0.00090287 +C 4.55164490 6.00521689 5.00365449 -0.00609546 0.00503349 -0.00076347 -0.01535869 0.03153702 -0.00326998 0.00471657 0.00193148 -0.00294180 +N 6.30263386 7.31933759 6.21077700 -0.00374694 -0.00060657 -0.00243736 -0.00922505 -0.01614178 -0.02353659 0.00088463 -0.00414464 -0.00383241 +C 3.20346162 5.61317026 4.98261533 0.00513308 -0.00736297 0.00150295 0.03489938 -0.05484047 0.01500601 0.00298684 -0.00779421 0.00264454 +H 5.24591727 5.63743152 4.31598723 0.01025415 0.02364376 0.01456613 0.05248627 0.03967710 -0.02010837 -0.01760244 -0.00279000 -0.00390240 +C 7.47769287 6.83875020 5.74209114 0.00088969 -0.00447524 0.00319945 -0.03581933 -0.00607119 0.03534350 -0.00765858 0.00306408 0.00566557 +H 6.34473372 8.12399660 6.83822376 0.00825130 -0.01414965 0.01629413 0.07725341 -0.12291325 0.05541391 0.00849864 -0.00938014 0.00622404 +O 7.57599147 5.81776421 5.04983276 0.00058372 0.00388206 0.00343233 0.01710511 0.02755325 0.02336825 0.00385200 0.00343196 0.00306618 +C 8.56055381 7.75977889 6.21811668 0.00343725 0.00061730 -0.00408829 0.03367889 0.01107039 -0.04738988 0.00583819 0.00162730 -0.00509218 +H 8.30973720 8.81523195 6.17536022 0.01092689 0.01432209 0.02465940 0.01049033 -0.00316410 0.14181430 -0.00813707 -0.01510688 0.00952065 +H 8.86329941 7.51112160 7.19097275 -0.00918285 0.01131685 -0.01265199 0.06897400 -0.01109386 0.03137370 0.01934064 -0.00815621 -0.01811788 +H 9.36468251 7.66432452 5.48320456 -0.01431778 0.01836588 -0.01403117 0.02781654 0.07950072 -0.06514483 0.02027984 0.00453749 -0.00582741 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.06318341 5.65918685 5.93558444 0.00162090 0.00299804 -0.00248704 0.00446750 0.01222607 -0.02461750 0.00225875 0.00211487 -0.00256889 +C 2.33709753 6.01317809 5.97954012 0.01385017 -0.00509483 0.00398160 0.07990399 -0.02091044 0.02407971 0.00213706 -0.00193310 0.00338796 +H 0.80001102 5.15664180 5.14065253 0.00281732 -0.00462146 -0.00446166 0.05518374 -0.01199609 0.01518432 0.00328556 -0.01702778 -0.01886841 +C 2.66398717 6.97461376 6.98040549 0.00041232 -0.00052953 0.00192117 0.01274818 -0.02543266 0.00588377 0.00564534 -0.00541902 0.00058103 +H 3.02710814 4.92725405 4.14996794 -0.00338685 -0.00460091 -0.03179680 -0.02203991 0.09020514 0.00478609 -0.01337834 0.01079472 0.01397244 +C 4.00600221 7.29138955 7.08630607 -0.00071007 0.00105032 0.00552330 0.02760180 0.00715711 0.00834573 0.00857459 0.00338031 -0.00106504 +H 1.93248892 7.35117679 7.66679518 0.00094727 0.01931826 0.01259229 0.04407572 0.05208291 -0.00290018 0.00859523 -0.00961517 -0.01571193 +C 5.00318139 6.85947927 6.16505105 0.00578413 -0.00121712 -0.00486748 0.04181012 0.01337152 -0.01901608 0.00215148 0.00405132 -0.00066941 +H 4.36685454 7.95637077 7.81817971 -0.01919505 -0.00082133 -0.02620637 -0.11047593 0.12881124 0.07165560 -0.01490063 0.00611164 0.01357258 +C 4.64564792 6.08758414 5.02804297 -0.00286335 0.00241226 -0.00250438 -0.05800974 -0.00087646 -0.00426418 -0.01183211 -0.00216889 0.00248712 +N 6.35526609 7.31808273 6.39867621 -0.00269945 0.00300864 -0.00340546 -0.01387949 0.00727538 -0.05158587 0.00016880 0.00170107 -0.00844818 +C 3.30900355 5.59098536 4.97464998 -0.00813960 -0.00277407 0.00270524 -0.04176917 -0.01107438 0.01386535 -0.00054697 0.00099989 0.00156868 +H 5.28051815 5.78927683 4.18876913 -0.00366289 -0.00855060 0.00491799 -0.02673243 -0.04589154 0.06456140 -0.00185686 -0.00559050 0.00278382 +C 7.45718567 7.00348013 5.65957733 0.00335593 0.00123627 -0.00020325 -0.01283887 0.01005898 0.00317760 -0.00629420 0.00111760 0.00014433 +H 6.56146008 7.97194801 7.10834155 0.00769297 0.00351862 -0.02707853 -0.03544383 0.05493857 -0.02130876 -0.02330574 -0.01081931 -0.00358435 +O 7.37916193 6.38200949 4.59975366 -0.00318450 -0.00040410 -0.00011044 -0.00110200 0.00127099 0.00264064 0.00281600 0.00083785 0.00097966 +C 8.78781808 7.41823941 6.26696091 -0.00200206 -0.00096885 0.00299875 -0.01150359 -0.02467349 0.03745128 0.00084186 -0.00607297 0.00441963 +H 9.52938591 6.78239799 5.95077867 -0.01055072 -0.00947494 -0.01316145 -0.01718789 -0.12520162 -0.09371441 -0.02047397 0.00852018 0.00959452 +H 9.18986366 8.37689103 5.97029785 -0.00511003 -0.00993515 0.03440829 -0.09053519 0.08735244 0.19760347 -0.02252551 0.01204048 0.01787253 +H 8.76299812 7.23882999 7.35295499 -0.02265677 0.00231932 0.02548161 -0.10951059 0.07851675 0.00136138 -0.00639984 0.00711096 -0.00634874 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02260576 5.82527082 5.77134333 -0.00207038 -0.00125377 0.00304681 -0.00085339 0.00144219 0.00925625 0.00103032 -0.00031418 0.00190014 +C 2.36823624 6.12475402 5.70687240 -0.00069567 0.00524922 -0.00223013 -0.00830688 0.00954645 0.01707209 -0.00038766 -0.00298244 0.00786015 +H 0.84346206 5.25702329 6.47033174 0.00782040 0.00359993 -0.01246879 -0.00553336 -0.06801692 0.00883770 -0.00050267 0.00799110 -0.02071108 +C 2.83374195 7.16699533 4.86236002 -0.00086675 -0.00084271 -0.00150815 -0.00153400 -0.00988607 0.00814629 0.00078470 -0.00089558 0.00277860 +H 2.90047949 4.55279111 7.16641206 -0.02810691 -0.00696491 -0.00300049 -0.10737048 0.06596853 0.02349363 0.00652379 0.02381040 0.01131365 +C 4.18952811 7.50496471 4.90064737 0.00511008 -0.00106202 -0.00788797 0.02732690 0.00200387 -0.03631077 -0.00003986 0.00032045 -0.00204682 +H 2.12415155 7.79250377 4.34116928 -0.00727872 -0.00302841 0.02232804 -0.04845650 -0.05000046 -0.00190228 0.00038378 -0.01333589 -0.01963183 +C 5.06354960 6.96566406 5.89176042 -0.00239217 -0.00149703 -0.00125612 -0.06128378 -0.03693784 -0.01660637 -0.00867002 -0.00640601 -0.00341292 +H 4.51895922 8.34175619 4.28644497 0.01040844 0.00240613 -0.00285470 0.06435518 -0.02525653 -0.03129732 0.00943362 -0.00426156 -0.00969010 +C 4.59404591 5.89549284 6.72825444 -0.00499142 -0.00201292 -0.00345802 -0.03513160 -0.02714214 -0.01717642 -0.00585999 -0.00475607 -0.00280179 +N 6.26391813 7.45460841 5.92993467 0.00536061 0.00161150 0.00040861 0.04812400 0.00342111 -0.00552813 0.00464014 -0.00103787 -0.00198773 +C 3.22388469 5.42249316 6.61349057 0.00295967 -0.00223559 0.00983032 0.01846202 0.01289821 0.02979745 -0.00194572 0.00582556 -0.00254713 +H 5.31187100 5.43001879 7.43560470 -0.00359985 -0.03363705 0.00802370 -0.17021003 -0.11263433 -0.07222684 -0.01307645 -0.00908462 -0.00537435 +C 7.40879713 6.78721781 6.09926095 0.00309304 0.00227694 -0.00414431 0.01740786 0.04111394 -0.00970119 0.00207204 0.00619495 0.00217729 +H 6.30101722 8.35133000 5.43920798 0.02217022 -0.00763816 0.01151408 0.20109528 0.03589943 0.09715977 0.02397494 0.01708327 0.01317758 +O 7.55838431 5.65637601 6.56159390 -0.00062309 0.00335989 -0.00136776 0.00162342 0.02629319 -0.01555878 0.00099743 0.00455138 -0.00324676 +C 8.52812705 7.77539866 5.76223047 -0.00516166 -0.00057641 0.00245638 -0.00205579 -0.01853999 0.02021598 0.00442632 -0.00356461 0.00237451 +H 8.19891338 8.81429773 5.60639708 0.00308801 0.00260575 0.03425921 0.01851901 -0.00506805 0.18502823 0.00279249 -0.00203850 0.01647451 +H 9.34859365 7.81008078 6.49388909 0.00184095 -0.00485361 0.01445009 -0.08867643 -0.10414437 0.05749802 -0.01177962 -0.02552712 0.00967561 +H 8.95416332 7.37292663 4.85647052 -0.00299192 0.00003588 -0.00689458 -0.00709220 0.09654796 -0.03536995 0.00021765 0.02716912 0.00154737 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00884229 5.89362294 5.66496895 0.00684215 0.00356768 0.00301737 0.03890333 0.01731400 0.01226960 0.00378397 0.00161473 0.00095727 +C 2.31821427 6.17361737 5.92513334 -0.00011327 -0.00145841 -0.00167947 0.01117541 -0.03610994 -0.01520214 0.00303610 -0.00566563 0.00008436 +H 0.86182456 5.38986019 4.89298576 0.02748700 -0.02134329 -0.01061432 0.17977672 -0.05941004 0.08288027 0.01570465 -0.00915719 0.01626798 +C 2.66883271 7.21365072 6.77220261 0.00064143 -0.00064054 0.00004618 -0.00046149 -0.01383990 -0.01306394 -0.00193011 -0.00283919 -0.00391934 +H 3.03348055 4.37263420 4.80366563 -0.01250297 -0.01015358 -0.00610605 -0.03447745 0.11064720 0.03389584 -0.00495798 0.00913918 -0.00299757 +C 4.01241722 7.54346572 6.79565795 0.00053627 -0.00726644 -0.00298642 0.00736872 -0.02560482 -0.00401409 0.00318755 0.00264424 0.00328280 +H 1.96611085 7.76337505 7.35471532 -0.00911326 0.00139004 -0.01180911 -0.07480370 0.04657268 -0.12922228 0.00075363 0.00389229 -0.02668975 +C 5.02451701 6.80137537 6.16082665 -0.00708347 -0.00486258 -0.00594258 -0.02484444 -0.03787667 -0.03645158 0.00177918 -0.00284408 -0.00258204 +H 4.15957613 8.40061361 7.32440061 0.01830072 0.00665185 -0.00618841 0.20622458 0.02373748 -0.01633535 0.01954087 -0.03314357 -0.01719098 +C 4.68932696 5.57347111 5.47880412 -0.00756472 -0.00107130 -0.00102184 -0.04651291 0.01600899 -0.00102965 -0.00608030 0.00503631 -0.00006776 +N 6.31892553 7.27494895 6.34216645 0.00219464 0.00322893 -0.00669303 0.00056046 0.03161714 -0.02708460 -0.00132515 0.00381730 -0.00255515 +C 3.31748359 5.29267916 5.34647426 0.00153651 0.00322287 0.00702882 -0.01901893 0.00937418 0.03829343 -0.00581402 0.00006401 0.00396819 +H 5.44764703 4.88763335 5.04808236 -0.00966395 0.01548918 -0.02081982 -0.10576071 0.10989571 -0.11699512 -0.00531008 0.00158981 -0.01811751 +C 7.42070744 6.96666785 5.72038043 0.00536677 0.00876252 0.00790040 0.06835156 0.00467255 -0.00748634 0.00875510 -0.00645120 -0.00780893 +H 6.47338665 7.97468628 7.04018880 0.01481783 -0.00345082 0.01747354 -0.00988166 -0.05730433 0.03814768 -0.01650693 -0.00512260 -0.00154550 +O 7.48231882 6.06168280 4.81963530 -0.00671459 -0.00311131 -0.00076154 -0.03788446 0.01325818 0.02454663 -0.00307623 0.00617292 0.00688603 +C 8.75044048 7.74604575 6.10693482 0.00040606 -0.00296247 0.00294653 -0.00216060 -0.00508699 0.01449436 -0.00161109 0.00101120 0.00257264 +H 8.53472803 8.48893293 6.87298171 0.00779350 0.00679103 0.02635762 0.09416969 -0.09653074 0.08301232 0.01029564 -0.02544824 0.00138841 +H 9.60174039 7.06594581 6.36797234 0.00724318 0.00928106 0.00388607 -0.04859374 0.03715682 0.06354099 -0.00259942 -0.01208169 0.01073654 +H 9.19649330 8.31165970 5.25522833 -0.00211949 0.01801946 -0.00994792 -0.15789879 0.01473852 0.04454622 -0.02549741 0.00145100 0.00242909 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.90396607 5.78003239 5.92620019 0.00009620 -0.00100551 -0.00013337 0.01297824 -0.00887901 -0.00803727 0.00305718 0.00139327 -0.00129896 +C 2.24442759 6.16738207 5.87208297 -0.00532636 0.00598257 0.00366872 -0.01098736 -0.00076617 0.02783223 0.00315347 -0.00394684 0.00414340 +H 0.81192663 4.83681435 5.69881426 -0.01557833 -0.01467774 -0.00071270 -0.09906076 0.04448785 0.03602984 -0.01418259 -0.01807131 0.00002401 +C 2.61106542 7.48482124 6.16714046 -0.00061732 0.00319402 0.00123091 0.00890821 0.02608971 0.00789511 0.00011180 0.00409573 0.00079418 +H 2.99774581 4.20644185 5.29259494 -0.00838479 0.01036986 -0.01066178 -0.00186685 0.02936574 0.02343981 0.01055989 0.01061810 0.01555253 +C 4.00496930 7.82244958 6.30010830 0.00370670 -0.00967510 -0.00683303 -0.00560194 -0.06194818 -0.04794904 -0.00570375 -0.00390837 -0.00556087 +H 1.85070760 8.17453785 6.29013812 -0.00358097 0.02337628 -0.00582253 0.04041507 0.14033102 0.01447884 0.03360477 -0.00736733 0.00632560 +C 5.01020176 6.82789607 6.03957319 -0.01213514 -0.00416380 -0.00124203 -0.02434118 0.00519351 0.00072751 0.00878673 0.00173341 0.00110037 +H 4.30355034 8.80908523 6.56543550 -0.00344448 0.00309993 -0.00666555 -0.04358567 -0.03940219 -0.06581248 -0.00635459 -0.02027173 -0.01365108 +C 4.63864399 5.54196643 5.63522978 0.00561105 -0.00413979 0.00380809 0.03014595 -0.03405119 0.03525496 0.00351827 -0.00479776 0.00420458 +N 6.32798339 7.33395160 6.20587242 0.00941823 -0.00609629 0.00704417 0.01833820 -0.05060676 0.03715919 -0.00479173 -0.00617861 0.00378918 +C 3.28278619 5.16543984 5.65167796 0.00867445 0.00588180 -0.00216167 0.00895126 0.06682891 -0.02973531 -0.00622016 0.00952195 -0.00588785 +H 5.36546794 4.77403652 5.51676659 -0.00826213 0.00367610 -0.03378100 0.04214422 0.00355540 -0.25697990 0.00319724 0.01238478 -0.02064804 +C 7.50722771 6.86911382 5.79638998 0.00115354 0.00382910 -0.00469772 0.03225937 0.04359518 -0.01350548 0.00517555 0.00614035 0.00054084 +H 6.37906257 8.25905461 6.56970312 0.00389971 -0.00184361 0.00056574 0.03663743 -0.04672107 0.05962801 0.00441094 -0.02046128 0.01363113 +O 7.75536719 5.87846677 5.14097980 -0.00319528 0.00476698 0.00620129 -0.02981553 0.01587795 0.03323851 -0.00463571 -0.00028889 0.00290296 +C 8.71501102 7.74578565 6.22890538 -0.00442630 0.00054811 -0.00576292 -0.03130757 -0.00536824 -0.03932563 -0.00358681 -0.00215749 -0.00363597 +H 8.95860971 7.55466370 7.27111331 0.01083563 -0.01059587 -0.00497513 0.00121550 -0.02975214 -0.05833021 -0.01313612 0.00317049 -0.00878328 +H 9.58145777 7.35616000 5.64290192 0.01136271 -0.01578846 0.00842504 -0.00631206 0.09148285 0.05022280 0.00286658 0.03160827 -0.01042242 +H 8.48575715 8.83315653 6.10005371 -0.02850393 0.01003455 0.00229773 -0.05281693 -0.07275659 -0.01832147 0.00829309 -0.00289026 -0.00888801 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01834752 5.88954913 5.79865563 -0.00057549 -0.00120926 0.00021491 0.00617365 -0.01349793 0.01470917 0.00176135 -0.00197484 0.00147621 +C 2.36334602 6.01349206 5.98504089 0.00331450 -0.00550273 -0.00245490 0.01701540 -0.02304099 -0.02039923 0.00040986 -0.00074794 -0.00348118 +H 0.82267361 6.25835756 4.96500552 0.01059562 -0.02924626 0.00930352 -0.04517163 -0.16049449 -0.06839645 -0.01175564 -0.02908340 0.01217515 +C 2.99816497 5.61094217 7.18684549 0.00474204 0.00880337 -0.00392851 0.04418302 0.04297957 -0.03920450 0.00701616 0.00284798 -0.00693510 +H 2.49153375 7.03755742 4.09327046 -0.01968178 0.02098963 -0.00226959 0.06519038 0.02988148 0.06987267 0.01024708 0.00350901 -0.01009664 +C 4.40802572 5.79083449 7.21286139 0.00253793 0.00526095 -0.00439313 0.02263914 0.02725521 -0.00673749 0.00232496 0.00367169 0.00113177 +H 2.51627158 5.07682502 7.99532630 -0.00377408 -0.01480647 -0.00388965 -0.01308571 0.05293067 -0.10289730 -0.00087367 0.02494038 -0.01356050 +C 5.16615218 6.33904233 6.14565904 -0.00386849 0.00576416 0.00548320 -0.04333878 0.03899057 0.00262895 -0.00327083 0.00499723 -0.00414245 +H 4.97575718 5.42156165 8.08488080 0.02053282 0.01770719 0.00052009 0.01360362 0.14947576 -0.02480203 -0.00352763 0.01281653 0.01427318 +C 4.50281939 6.69842386 4.91750433 -0.00832452 -0.00343463 -0.00262215 -0.05634633 -0.00779290 0.01038314 -0.00610547 0.00249948 0.00476229 +N 6.47404322 6.51482227 6.34853892 0.00957705 -0.00599659 0.00067730 0.07130070 -0.03681615 0.00747579 0.00608002 -0.00425631 -0.00036595 +C 3.10134230 6.62329167 4.92824117 0.00064009 0.00180589 0.00328615 -0.03287373 0.00832143 0.00926236 -0.00767601 -0.00057880 0.00119788 +H 4.90084095 7.16175014 4.05003566 -0.01298184 0.02638017 -0.00699624 -0.00192618 0.06262724 0.06192610 0.00486407 -0.01497860 0.02766744 +C 7.30921199 7.32011477 5.70011696 -0.00225231 0.00123434 -0.00103604 -0.00036883 0.01574452 -0.01973727 0.00352895 0.00181452 -0.00180411 +H 6.88904239 6.14680958 7.20458559 0.00584488 -0.02063292 -0.01010890 0.04493653 -0.19569914 -0.06846072 0.01307189 -0.03162189 -0.00665059 +O 7.00274059 8.05786261 4.76488161 0.00117502 -0.00296143 0.00151720 -0.00074269 -0.01749215 0.00305984 -0.00178442 -0.00114630 -0.00162286 +C 8.73866414 7.41224478 6.10948725 -0.00358073 0.00045943 0.00396703 -0.01911162 -0.00076012 0.04147466 -0.00324437 0.00048266 0.00846275 +H 9.07673689 8.41163823 5.86585250 0.00711559 -0.01223084 0.00392835 0.08873419 -0.00809348 0.06893866 0.01212023 -0.00011146 0.01980147 +H 8.83789279 7.28022383 7.15928904 -0.03520645 -0.01905242 0.00589445 -0.16678666 -0.11056970 0.07307274 -0.00362055 -0.01002148 -0.00533820 +H 9.48069423 6.70783739 5.64173463 -0.03411688 0.00894112 -0.01304896 -0.24981100 -0.02838339 -0.12909797 -0.02103753 -0.02534356 -0.02122907 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98053540 5.76831473 5.93109760 -0.00055335 0.00391556 0.00048045 -0.00772537 0.02018502 -0.00103092 0.00097150 0.00372113 -0.00074933 +C 2.28333066 6.12312384 5.83747102 0.00930797 -0.00206242 -0.00821021 0.04339071 -0.04828503 -0.03349576 -0.00209362 -0.00870693 -0.00203902 +H 0.66216016 4.85901544 5.91345308 0.00982992 -0.02175829 -0.01179407 0.20975094 0.01579718 -0.05582596 0.02968389 -0.01392410 -0.00536551 +C 2.65587913 7.35866058 5.39255944 -0.00277671 -0.00423534 0.00412538 -0.05657506 0.00251917 -0.00728226 -0.00693427 0.00254054 -0.00419252 +H 3.03701058 4.23240398 6.56018182 -0.00878475 -0.00499164 0.00071256 -0.01847073 -0.01746733 -0.00255794 0.00207629 -0.00170436 0.00150202 +C 3.96275340 7.74985248 5.26334409 -0.00437924 -0.00074348 0.00187832 -0.00613463 0.00009354 0.02369906 0.00142798 0.00098308 0.00465456 +H 1.80977133 7.93270265 4.96465577 -0.02520340 0.01072893 -0.00015826 0.03502558 0.06147353 0.12859881 -0.00069599 0.02510749 0.01939846 +C 4.99097328 6.92804547 5.73558265 0.00199475 -0.00033670 0.00718507 0.02043908 0.01064774 0.03058602 0.00321380 0.00376176 0.00044402 +H 4.20349137 8.70365298 4.82256217 0.00589325 -0.01347153 0.00392008 0.00263026 0.01363878 0.02156309 -0.00689251 0.01142711 0.00639878 +C 4.62347344 5.60625559 6.09515095 -0.00559208 -0.00046245 -0.00310754 0.00685720 0.00072299 -0.00720653 0.00439228 0.00273632 0.00149679 +N 6.30941946 7.46387733 5.68106612 0.00498906 0.00441877 -0.00441013 0.02904047 0.02078143 -0.03071836 0.00251914 0.00027485 -0.00320659 +C 3.30177952 5.21704969 6.21135125 -0.00126755 -0.00128320 0.00145468 -0.02145343 -0.01969092 0.00483549 -0.00135886 -0.00494748 -0.00033482 +H 5.43626737 4.85456954 6.28081713 0.01142883 0.02702988 0.01435747 -0.01761394 0.14365411 0.14297868 0.00754423 -0.01394227 0.02914894 +C 7.48765885 6.96024963 6.12718002 0.00224318 0.00519532 -0.00469869 0.00735874 -0.01354948 -0.02162923 -0.00031271 -0.00885649 -0.00107510 +H 6.40092668 8.34697149 5.15558405 0.00015203 0.00449477 0.01269868 0.00360433 0.06659755 0.08781821 0.00309790 0.02265235 0.00455534 +O 7.57338357 5.88738008 6.70900639 -0.00177427 0.00012287 0.00515053 -0.02013148 0.00691744 0.03490838 -0.00383013 0.00208629 0.00454220 +C 8.83825111 7.57723095 5.86496178 -0.00370852 -0.00638791 0.00033702 -0.01403341 -0.00893949 -0.02977409 -0.00194109 0.00454154 -0.00889018 +H 8.69708759 8.64988421 5.72787867 0.00940318 -0.00628798 0.02409566 0.04903506 0.00212552 0.20030272 0.00364111 0.00672566 0.02385704 +H 9.52373664 7.39274648 6.78735858 -0.00459853 0.00159510 -0.03702674 0.03825307 -0.03828929 -0.19478431 0.03420684 -0.02378347 0.01400056 +H 9.32303978 7.31804986 4.91496315 0.01928199 0.00008461 -0.02255410 -0.02350444 -0.05514732 0.04087080 -0.01932187 -0.01385124 0.00925939 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98369665 5.90680716 5.96513614 -0.00466766 0.00327993 0.00128668 -0.00942159 0.01485166 0.00657911 0.00076130 0.00164599 -0.00138392 +C 2.38105945 5.93866099 5.88480946 -0.00328208 -0.00604155 -0.00404456 -0.03518919 -0.01358647 -0.02125445 -0.00529262 0.00205166 -0.00179081 +H 0.49720784 6.17600910 5.19280022 0.02351853 0.00293718 0.01137120 0.09374520 0.08013836 -0.05587495 0.01097202 0.00987281 -0.00078593 +C 3.06144223 5.52218674 7.04742202 0.00178599 -0.00313514 -0.00430731 -0.01083344 -0.02763180 -0.03402191 -0.00431363 -0.00471926 -0.00432865 +H 2.44892656 6.90357228 3.98320378 0.02636948 -0.00400733 0.00775445 0.15125861 0.10192904 -0.09485462 0.01748259 0.02420386 -0.01524287 +C 4.42054756 5.74265488 7.26092238 -0.00460678 -0.00084560 0.00708980 -0.01057344 0.02201844 0.01847998 -0.00137688 0.00584286 -0.00386590 +H 2.38313106 5.08535845 7.77319873 0.00368941 -0.00133093 -0.02190177 0.07252333 -0.07708163 0.01909238 0.01432096 -0.01788969 0.01990765 +C 5.10652618 6.44644057 6.20324686 0.00634900 -0.00320813 0.00742224 -0.01740788 -0.03390668 0.02272744 -0.00781474 -0.00487364 -0.00011627 +H 4.95130849 5.55045317 8.22920078 0.00017099 -0.00683530 0.00506048 -0.10264912 -0.09653791 -0.03299684 -0.01117457 -0.02108018 0.01080893 +C 4.44215393 6.77802204 4.94797372 -0.00118784 -0.00078205 0.00555515 0.00390022 -0.00142183 0.06299771 0.00125421 0.00082174 0.01087124 +N 6.36521675 6.76548197 6.42761600 -0.00067709 0.00321647 -0.00065054 0.02772094 0.02582160 0.00813007 0.00792817 0.00250514 0.00481062 +C 3.04907731 6.64517846 4.84843124 0.00210011 0.00450595 -0.00476552 0.00622751 -0.01172011 -0.00390746 -0.00038878 -0.00697319 0.00232098 +H 4.97182215 7.19381971 4.11178671 0.00064608 0.01274496 0.00899021 -0.02010859 0.09473555 0.09456587 -0.00597878 0.01029193 0.02070148 +C 7.30557948 7.37746373 5.69878092 -0.00519401 0.00086089 0.00244954 0.01439893 0.01923332 -0.01949655 0.00909949 0.00426249 -0.00709930 +H 6.66600831 6.43401593 7.30593067 0.00024147 -0.00531228 -0.02528917 0.10844953 -0.04455685 0.00762190 0.01730573 0.00649862 -0.00119201 +O 7.23020922 7.72663948 4.51462039 0.00231479 -0.00300749 -0.00410694 0.00123834 -0.02052832 -0.01790059 -0.00188014 -0.00269071 -0.00141144 +C 8.74784512 7.47470518 6.24815194 0.00190616 0.00634312 -0.00269731 0.00462451 0.02360377 -0.00075612 -0.00094737 -0.00186895 -0.00073217 +H 8.97160068 6.44442700 6.42148261 -0.00532139 -0.00640688 -0.01441404 0.03365856 -0.00133114 -0.07280774 0.01068119 0.01594351 -0.00297786 +H 9.51740064 7.85390300 5.56959048 0.01526096 -0.01088205 -0.00177490 -0.00361037 -0.04024165 -0.03588447 -0.01455480 0.00467858 -0.00586312 +H 8.91092156 7.96796493 7.25174844 0.00755136 -0.00249089 0.00414706 -0.05414014 -0.00680394 -0.05727712 -0.01492603 0.01426664 0.00865481 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99503309 5.78970204 5.83516028 -0.00157924 0.00378145 0.00654265 -0.01440423 0.03318499 0.04216536 -0.00369518 0.00251805 0.00588643 +C 2.31826557 6.11170090 5.81994566 -0.00032730 -0.00414598 0.00688398 -0.01541068 -0.01750461 0.05195571 -0.00285722 -0.00112359 0.00691358 +H 0.76623741 4.91209621 6.05035663 -0.01578937 0.02427246 -0.02123503 -0.08015817 -0.01604773 -0.13078600 0.00628126 0.01345479 -0.02155974 +C 2.63929751 7.46363905 6.11383835 -0.00196830 -0.00378967 -0.01068037 -0.03444661 -0.03194328 -0.07258894 -0.00958509 -0.00242231 -0.00800776 +H 3.10325036 4.11989031 5.44164681 0.02338793 0.01137454 -0.01085279 0.08705481 0.00618686 -0.08138402 0.00403837 0.01729725 -0.00598907 +C 3.96046944 7.87300218 6.18819251 -0.01215156 -0.00141480 -0.00073144 -0.05092600 0.00124529 -0.00206975 -0.00006664 -0.00257863 -0.00212729 +H 1.89674890 8.18598454 6.25026723 -0.01122048 -0.00626192 -0.00282254 -0.10668340 -0.05934822 -0.00805795 -0.00026016 -0.02330380 -0.00837748 +C 5.00202430 7.00623078 5.93057284 0.00001606 -0.00640182 0.00351405 0.00090725 -0.05926407 0.01379388 0.00067597 -0.00343957 0.00185310 +H 4.15124793 8.90704933 6.54515916 0.00728934 0.00150093 -0.02055993 0.00840828 -0.00747844 -0.20913584 -0.00557413 0.01794522 -0.02616704 +C 4.65352042 5.62601490 5.62791691 0.00863145 0.00420901 -0.00232839 0.04037253 0.01933375 -0.00739282 0.00039877 -0.00088011 -0.00040011 +N 6.30901908 7.45777223 5.89584423 0.00596461 0.00228489 0.00364027 0.02217215 0.02498396 0.03093095 -0.00022003 0.00339021 0.00474714 +C 3.30732500 5.14038796 5.62218104 0.00148352 0.00500380 -0.00290851 0.04562162 0.05581446 -0.02118603 0.00994055 0.00750511 -0.00340129 +H 5.49423887 4.90728105 5.47137639 -0.02621466 -0.00817527 -0.00340559 -0.11671652 -0.07344622 -0.07333124 0.01463251 -0.01608936 -0.01774273 +C 7.48905587 6.87182712 5.95789369 -0.00196959 -0.00152236 -0.00566902 -0.01325820 -0.07596402 -0.04966370 0.00010183 -0.01277370 -0.00716738 +H 6.39138697 8.44267554 5.85964992 0.02729227 -0.00382067 0.01049158 0.12182131 0.04702785 0.08430519 -0.00078792 -0.00299425 0.01386709 +O 7.67597072 5.61750797 5.95920320 0.00137131 -0.00315121 -0.00021102 0.00017601 -0.00308275 -0.00055047 -0.00130572 -0.00043745 -0.00021758 +C 8.65216186 7.69513774 5.93914129 -0.00102305 0.00082200 0.00226862 0.02860323 0.03454792 0.02573941 0.00585105 0.00527163 0.00722697 +H 9.39520323 7.49503930 5.10502685 0.00094424 0.00362385 -0.00818113 -0.11581421 0.04095148 0.01916224 -0.00488234 0.00363165 -0.01303693 +H 8.40020985 8.78124621 5.99952641 -0.00581876 0.01260185 0.00393765 0.01717941 -0.03117523 0.00099336 0.00253749 0.00615717 -0.00444625 +H 9.12596483 7.37671286 6.84845541 0.00763501 0.00939791 0.01654649 0.08520129 0.14697081 0.03967739 0.01331149 0.02818200 -0.01159844 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95500106 5.73467415 5.82717845 0.00092443 -0.00035119 -0.00352427 0.02043444 0.01385065 -0.01948020 0.00410586 0.00165746 -0.00322917 +C 2.28691617 6.11312924 5.90561965 0.00578675 0.00291809 0.00867561 -0.00332796 0.02412599 0.05466840 -0.00714962 0.00385800 0.00640802 +H 0.77724202 4.92931149 5.43090878 0.00819966 0.01227942 -0.00280352 0.07134712 -0.02581862 -0.05647890 0.01848623 0.02079259 0.00715576 +C 2.62725431 7.46935510 6.16007914 0.00143320 0.00456385 -0.00020459 -0.03835539 0.02825379 0.00997211 -0.00791379 0.00108004 0.00217833 +H 2.98642192 4.10164836 5.41264823 0.01012246 0.00681753 -0.01646840 0.07773285 0.08704665 -0.01255665 -0.00306325 -0.01240376 0.00532800 +C 3.93790699 7.84182716 6.26221955 -0.01200243 -0.00431155 -0.00204074 0.00368345 -0.01744080 -0.01999262 0.00943353 -0.00193421 -0.00261905 +H 1.87222569 8.24051290 6.36628169 -0.01612521 0.03573634 0.00427526 0.02431586 -0.00121777 -0.07247349 -0.00495102 -0.00856435 -0.01493029 +C 5.03105493 6.91798609 6.06074479 0.00196035 -0.00278542 -0.00045879 -0.03447050 -0.02564081 0.00192960 -0.00687702 -0.00501337 0.00040267 +H 4.23975488 8.89229880 6.36428331 0.00854971 -0.00152660 0.02031609 -0.07429622 -0.08194769 0.18006174 -0.01769642 -0.00077059 0.02664571 +C 4.61175038 5.57414841 5.81607771 0.01116419 -0.00632313 -0.00747819 0.07312257 -0.04511930 -0.05165097 0.00399259 -0.00429884 -0.00623812 +N 6.34145775 7.32738641 6.23673954 -0.00103907 -0.00009193 0.00102084 0.01326447 0.00134844 0.00586930 0.00179616 0.00118611 0.00117212 +C 3.27906492 5.14695129 5.70662723 -0.00727141 0.00305978 0.00487954 -0.01232468 0.02652381 0.02465814 0.00809257 0.00645075 0.00245062 +H 5.39801034 4.79417027 5.67578857 0.00151895 -0.00208519 -0.00139866 0.04567197 -0.02384741 -0.03948365 0.02600473 -0.01821436 -0.01405553 +C 7.53245007 6.87892001 5.80869574 0.00094192 0.00029403 0.00118534 -0.00683120 -0.02140462 -0.02265818 -0.00221914 -0.00419085 -0.00515223 +H 6.61363683 8.18560112 6.68190574 0.00297206 -0.01554031 -0.00745994 -0.16984768 0.04169827 0.07521923 -0.04099676 0.00628302 0.01599491 +O 7.63359992 5.96256790 4.96970856 0.00008188 -0.00027131 0.00165640 0.00318985 0.00057421 0.02057807 0.00086822 -0.00077810 0.00305897 +C 8.76292167 7.64693243 6.26511194 -0.00378694 -0.00010724 -0.00257689 -0.02121190 -0.00290076 -0.00238466 -0.00182651 0.00171133 0.00055492 +H 8.61038383 7.71055036 7.34501108 -0.00095538 -0.00090387 -0.01206501 0.01678959 0.06437644 0.00269231 0.00141711 0.02024268 0.00966037 +H 9.73881553 7.20871475 6.13480849 0.02292726 0.02974954 0.02394238 0.03594661 0.09835426 0.05288183 -0.01882734 -0.00347708 -0.01168040 +H 8.77393267 8.64219905 5.89126180 -0.01760068 -0.02129697 -0.01648545 -0.11371101 -0.00593404 -0.16381024 -0.01104956 -0.00647872 -0.01369680 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03516481 5.66768127 5.71719454 -0.00394193 0.00007871 0.00592331 -0.02556190 -0.00638266 0.03841644 -0.00162095 -0.00074464 0.00530062 +C 2.29986816 6.09923914 5.89237569 0.00389877 -0.00191279 -0.01061040 0.03130860 0.02575721 -0.03704270 0.00132466 0.00547450 -0.00161869 +H 0.98125540 4.80283508 5.39801999 0.00184142 -0.01006666 -0.02352313 -0.00380567 0.06983716 -0.10446399 -0.00510152 0.02111121 -0.01030756 +C 2.63547265 7.31769074 6.63570214 0.00182057 -0.00127833 -0.00382664 0.02230259 -0.04599487 -0.06553205 0.00434218 -0.00676221 -0.01091921 +H 3.18906569 4.47020034 4.75694830 -0.00359128 0.01371202 -0.01446746 -0.02829743 0.04377912 -0.03426567 -0.00929055 -0.02540307 -0.00938800 +C 3.97286424 7.74004285 6.62162052 0.00053193 -0.00133128 0.00609013 0.02763548 -0.00415879 0.03477125 0.00611364 0.00045849 0.00349554 +H 1.88480508 8.00022320 7.02554332 0.04158797 -0.02320007 -0.01229021 0.00965766 -0.05884706 0.05979967 -0.02238777 -0.01057855 0.01414114 +C 5.02661817 6.99758913 5.99730798 0.00188843 0.00158886 -0.00592758 -0.02738075 0.04308357 -0.00855672 -0.00801121 0.00775132 0.00248481 +H 4.18732007 8.69204909 7.06622775 0.02824490 -0.00348885 0.00132391 0.13370571 -0.03198150 0.05398621 0.00084494 -0.00909059 0.01479116 +C 4.69847629 5.84006987 5.38949900 -0.00995188 0.00324390 0.00720440 -0.06005451 -0.02211729 0.02986635 -0.00710539 -0.00673237 0.00202558 +N 6.27810561 7.51195222 5.97503442 -0.00135161 0.00255655 0.00093048 0.00449653 0.01463832 0.00854113 0.00270738 0.00377032 0.00158816 +C 3.37779910 5.38865779 5.35928917 -0.00077801 -0.00241429 -0.00006349 -0.01892242 -0.03181829 -0.02429650 -0.00495493 -0.00391888 -0.00518452 +H 5.49384600 5.20516635 4.93827290 -0.02403426 -0.00825831 0.00242469 -0.18842322 -0.02583739 -0.02671502 0.00027048 -0.01254836 -0.01802269 +C 7.41562248 6.80728208 5.83343038 -0.00121535 0.00587297 0.00331003 0.02909678 0.05670614 0.02442246 0.00855836 0.00338666 0.00345388 +H 6.33093379 8.46391588 6.24779032 -0.00363182 0.00055250 -0.00710758 0.03884781 0.06274489 -0.09174067 0.01019510 -0.00073316 -0.02092159 +O 7.56076549 5.62829508 5.86354994 -0.00051209 -0.00664493 0.00128904 -0.00905074 -0.04997385 0.00655036 -0.00217015 -0.00374146 0.00054734 +C 8.70217515 7.66497907 5.74238871 0.00509694 0.00093126 -0.00218329 0.02311535 0.02770227 -0.00660732 0.00278004 0.00497627 0.00115984 +H 8.76549620 8.22641295 6.67625826 0.00479092 0.01625386 0.01952866 0.07724583 0.01021158 -0.04453647 0.01452416 -0.00125457 -0.02002492 +H 9.58741651 7.04314325 5.58781631 0.02021655 0.02557358 -0.00418581 0.09316447 0.13405643 0.00477843 0.00039581 0.00645100 0.00563186 +H 8.64557516 8.43196392 4.92118396 0.00866323 0.00160828 -0.01753205 0.03186307 -0.09865664 -0.01800858 -0.00321124 -0.00435651 -0.00998442 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97238270 5.64761455 5.83201261 0.00015110 0.00187742 -0.00561146 0.01566049 0.01517985 -0.02158721 0.00218378 0.00160481 -0.00307386 +C 2.32047338 5.99317141 5.96306698 -0.00092791 0.00090512 0.00726292 -0.02160471 -0.00298342 -0.00619424 -0.00367762 -0.00105685 -0.00634448 +H 0.67229330 5.46418128 4.97476926 -0.00095210 -0.00514554 0.01650580 0.00330874 -0.05754328 -0.04412696 0.01722378 -0.00061778 0.01143492 +C 2.81865722 6.41356728 7.15224616 -0.00037531 -0.00072961 0.00541214 -0.01468556 -0.00307904 0.07569525 -0.00132516 0.00029745 0.01141167 +H 2.91389123 5.37365188 3.95687362 -0.00258942 -0.00287291 -0.01121644 -0.03577389 0.13659898 -0.08081241 -0.01859345 0.02735039 -0.02719046 +C 4.12562511 6.83832170 7.32136055 0.00123377 0.00252947 0.00379797 0.03051855 0.03853932 0.04692356 0.00571734 0.00694856 0.00744422 +H 2.15719699 6.32190146 8.02942098 -0.00752994 0.00355616 0.00283463 -0.02832993 0.09523689 0.02021418 -0.01229068 0.01940132 0.02083039 +C 4.99849192 6.89863638 6.23547848 0.00248754 -0.00001145 0.00255710 0.04606754 -0.00947077 0.00896109 0.00632763 -0.00401703 -0.00030957 +H 4.48824748 7.16102694 8.26982287 0.01792193 0.01982862 0.02687958 0.00519593 0.03686178 0.03475724 -0.01091949 -0.00417033 -0.00835873 +C 4.48111281 6.40117177 5.04113459 0.00046643 -0.00620531 -0.00297840 0.03019298 -0.04136463 -0.03647711 0.00512250 -0.00516017 -0.00509106 +N 6.42003804 7.21506389 6.41421105 0.00140781 -0.00146061 0.00250682 -0.02923874 -0.01849165 0.03299312 -0.00549258 -0.00369842 0.00572303 +C 3.21016703 5.95065381 4.85944848 -0.00638251 -0.00049756 -0.00908786 -0.07006830 -0.01949145 -0.03561412 -0.00836926 -0.00254416 0.00073732 +H 5.13382383 6.20961904 4.19215165 0.00155548 0.00590337 0.00574879 0.03739030 0.06716454 -0.03877448 0.00889964 0.00843160 -0.02167741 +C 7.47836994 7.09075422 5.65489712 0.00062568 -0.00125325 0.00017785 -0.00674867 -0.01525548 -0.05435471 -0.00343632 -0.00196459 -0.01124982 +H 6.66684874 7.48160886 7.35161845 -0.00071472 -0.02234599 -0.00906406 0.00378282 -0.08983707 0.07077386 -0.00372631 -0.00583019 0.01246039 +O 7.35957144 6.77759386 4.45379902 0.00085454 -0.00260838 -0.00865479 0.01636702 -0.01432222 -0.04222218 0.00383619 -0.00157017 -0.00400457 +C 8.85262587 7.36710520 6.19057723 -0.00049438 0.01073973 0.00634791 -0.01457394 0.04698312 0.04564399 -0.00330451 0.00516415 0.00161743 +H 9.29663278 8.04465800 5.51275470 0.00136106 -0.00482931 0.00805965 0.12066691 0.05713406 0.04057753 0.01062180 0.00706252 0.02789929 +H 8.72051097 7.86528111 7.20420595 -0.01837918 -0.02637542 -0.00431080 -0.03453306 -0.11073310 0.05595455 0.00605468 0.00705820 0.03938070 +H 9.35333067 6.36797513 6.29141264 0.01391852 -0.00108453 -0.00457556 0.07530711 0.18141411 -0.03549256 0.01860092 0.01995206 -0.00069562 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97366510 5.79177972 5.82120909 -0.00203574 -0.00405517 0.00750015 -0.00435055 -0.02620922 0.05148240 0.00244938 -0.00356067 0.00740571 +C 2.30637920 6.01420741 5.98186769 0.00204384 0.00152272 -0.00357170 0.02262132 -0.00026914 -0.05203952 0.00128894 0.00021228 -0.00596120 +H 0.69824751 5.87702457 4.88121711 0.03145818 0.00339695 0.00685609 0.14570497 -0.01860761 0.04309933 -0.00320304 -0.00821267 -0.01394132 +C 2.84173645 6.60252244 7.11966217 -0.00540969 0.00230014 -0.00144936 -0.03304978 0.01620169 -0.01805243 -0.00558456 0.00292188 -0.00199211 +H 2.86947399 5.24908246 3.95232818 0.02021214 -0.00751780 0.02398059 0.08469203 -0.08522054 0.08957451 0.00278550 -0.00885161 0.00834128 +C 4.18677791 6.97695901 7.25429689 -0.00394771 -0.00343455 0.00012587 -0.05035454 -0.01878771 0.00397783 -0.00575997 -0.00053553 0.00170549 +H 2.11801875 6.83551905 7.88847147 0.03934431 0.00498972 -0.03219976 0.02529151 0.09585197 0.09455912 -0.01818043 0.00921096 0.02922283 +C 5.03683669 6.80660982 6.20636517 -0.00055703 -0.00173828 -0.00433256 0.00897809 -0.01701934 -0.03130752 0.00014246 -0.00257576 -0.00317809 +H 4.40554450 7.47575022 8.13882813 0.00231369 -0.01072026 -0.00241308 0.10323880 -0.05079347 0.06100385 0.00743128 -0.01969206 -0.01136223 +C 4.54697418 6.14964852 5.04836488 -0.00438785 0.00428943 -0.00824338 -0.00895215 0.02351464 -0.06990782 0.00218512 0.00431523 -0.00567216 +N 6.36020723 7.21651326 6.45153774 -0.00227905 0.00213976 0.00598893 -0.01314236 0.00395307 0.01784531 0.00078108 -0.00087254 0.00029590 +C 3.20226072 5.70205168 4.88127628 0.00454556 0.00770451 0.00103396 0.02102238 0.06931094 0.03707060 0.00125428 0.00891157 0.00434140 +H 5.18262807 5.95028647 4.12623093 0.01491385 -0.02132871 0.01266466 0.05870703 -0.10821453 0.15293271 0.02224562 -0.01874412 -0.01194843 +C 7.43276242 7.08115932 5.62815544 0.00173002 -0.00383877 0.00230167 0.01180867 -0.02380734 0.02764880 -0.00016901 -0.00324562 0.00303731 +H 6.43773118 7.63866363 7.32420955 0.00891320 -0.00919432 0.02006948 0.12957114 -0.07313147 0.07183862 0.01369619 -0.02076881 -0.02290158 +O 7.39252226 6.60605505 4.49654144 0.00108174 -0.00302380 -0.00503172 0.01185445 -0.01548969 -0.02373770 0.00244543 -0.00085526 -0.00017135 +C 8.79930969 7.52155878 6.23581688 -0.00016636 0.00203451 0.00322525 -0.02604476 0.00589066 0.00345734 -0.00651128 0.00316422 -0.00119060 +H 9.44964081 7.77354636 5.38854696 0.00428182 0.00795478 -0.00407729 0.05311262 -0.01046372 0.09582803 0.01211820 -0.01524038 0.01834845 +H 8.55848009 8.35152891 6.87066263 0.01895248 0.00245896 -0.02253825 0.15096322 0.16877840 -0.09047748 0.01844483 0.01668184 -0.01238393 +H 9.17645336 6.72729109 6.93480211 -0.02030659 0.00725345 0.00526008 -0.04466445 0.03294427 -0.02522858 0.01285603 -0.00907724 0.00385725 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97313471 5.67019469 6.07023792 0.00047384 -0.00069772 -0.00338086 0.00980731 0.01016611 -0.02335507 0.00334852 0.00188505 -0.00382472 +C 2.26215273 6.12463728 5.90414757 0.00136029 -0.00759401 -0.00053486 0.03306867 -0.01760824 0.00106320 0.00469739 0.00528001 0.00235736 +H 0.74851267 4.75705456 5.87270798 0.03304714 0.01293285 -0.00197783 0.23319167 -0.02890289 -0.05020123 0.02516435 -0.00093859 -0.00575452 +C 2.67803896 7.46429482 6.30600436 0.00067229 0.00794752 0.00232870 -0.01264474 0.00535125 0.00238835 -0.00507438 -0.00724887 -0.00196313 +H 2.97192217 4.25711399 4.99061295 -0.01150640 0.00227031 0.02359166 -0.03489042 -0.04312241 0.11382015 0.00354379 -0.00494169 0.00918260 +C 4.03297205 7.88854157 6.27883448 0.00008040 -0.00051655 -0.00281303 -0.01704183 -0.03482962 -0.01907347 -0.00566966 -0.00405011 -0.00011093 +H 1.95910008 8.16906503 6.66014280 -0.00833870 0.00263136 -0.00188995 -0.06059066 -0.00623136 0.00871982 0.00248269 -0.01159753 0.00060785 +C 5.02502240 6.92346245 5.84416649 -0.00569513 -0.00038328 -0.00124789 -0.03637702 0.03771361 -0.01784650 -0.00185464 0.00713804 -0.00505360 +H 4.23787607 8.85949112 6.60085879 -0.02307665 -0.00527934 0.02458134 -0.03417062 -0.01495964 0.11013211 0.00982608 -0.02815953 -0.00891732 +C 4.63124050 5.66074715 5.35242629 -0.00060105 0.00421210 0.00052778 -0.01817284 -0.01095337 -0.00955519 -0.00719676 -0.00313370 -0.00155481 +N 6.29097833 7.48474414 5.76031967 0.00330279 -0.00050090 0.00227227 0.02078501 -0.01817103 0.03824573 0.00251555 -0.00387040 0.00819941 +C 3.26520224 5.23979419 5.33630342 -0.00540561 -0.00531327 0.00322205 -0.02823304 -0.00525171 0.04659554 -0.00026733 0.00121726 0.00871039 +H 5.35008560 4.90827964 4.98106292 0.00324844 -0.02580907 -0.02030532 -0.05887805 0.08057471 -0.03873116 0.00564108 0.01977025 -0.00242912 +C 7.46490407 6.84272695 5.93561262 0.00588801 0.00217743 -0.00324419 0.06388422 0.02773094 -0.03239968 0.00898607 0.00414510 -0.00556271 +H 6.27636871 8.47450598 6.00786729 -0.00414926 -0.01058940 0.01638585 0.06337460 -0.02331711 0.01941460 0.01944999 0.00911389 -0.00859761 +O 7.63003761 5.61149579 5.92659124 -0.00614248 0.00430000 0.00067528 -0.04466027 0.03509859 0.00463705 -0.00570717 0.00524594 0.00052417 +C 8.76550712 7.75477892 6.11875087 0.00783580 -0.00233264 -0.00514594 0.02183717 -0.02022445 -0.00401705 0.00262888 -0.00557478 0.00123627 +H 9.34383163 7.87292014 5.24045397 0.00528359 0.00040434 0.02012567 0.12506846 -0.04967850 -0.04447919 0.00245525 -0.00932345 -0.00092361 +H 8.60387774 8.82041398 6.43365378 -0.01989513 0.00026086 0.01958834 -0.16520996 -0.16763692 0.07227854 -0.02352738 -0.01557922 0.00612327 +H 9.30890170 7.30647790 6.91374107 0.02019297 -0.00555643 0.01357418 0.12114981 0.00266877 -0.03395057 0.00213353 0.00879191 -0.02771271 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98594545 5.65572998 5.62758122 -0.00209991 -0.00797527 -0.00025284 -0.00370622 -0.05342025 0.01692628 0.00179070 -0.00631712 0.00142990 +C 2.29203676 6.06749993 5.72647513 0.00234411 0.00123802 -0.00345675 -0.01423592 0.01323468 -0.05109001 -0.00467662 0.00073566 -0.00398052 +H 0.71454425 5.40190899 6.52307764 -0.01443004 -0.00830241 0.01492885 -0.10801722 -0.04921922 -0.06768629 -0.02535457 -0.01628260 0.01009553 +C 2.79652987 6.77811748 4.58745023 -0.00814335 0.00437548 -0.00275431 -0.02021682 0.02298949 0.01151502 0.00284391 0.00339156 0.00284962 +H 2.64942601 5.43720404 7.73068035 -0.01960689 -0.00897895 0.01409603 -0.07747124 -0.06355146 -0.00535136 0.00872624 -0.00447271 -0.01856810 +C 4.15068751 7.17688887 4.68630072 0.00059803 0.00418556 0.00360753 0.00177533 0.04106588 0.02452821 -0.00094682 0.00564681 0.00484522 +H 2.20734077 7.04793285 3.74420701 -0.00154427 -0.00623093 -0.01483791 -0.01710091 -0.09003592 -0.05887986 0.00681938 -0.01892398 0.01314164 +C 4.98604975 6.94846874 5.84604883 0.00565289 0.00352725 0.00358407 0.03943489 0.03178512 -0.01506284 0.00251995 0.00416032 -0.00595798 +H 4.47850667 7.80119986 3.82390363 0.01202061 -0.00825961 -0.00792862 0.11941405 -0.13215890 0.04078284 0.02445384 -0.01059248 -0.00459193 +C 4.46823414 6.23087147 6.92625880 -0.00226673 0.00006965 0.00149593 -0.03517425 0.01473671 0.01016595 -0.00566620 0.00466895 -0.00114643 +N 6.32235136 7.47574724 5.76448942 0.00281458 -0.00047474 -0.00954873 0.02260960 -0.01053891 -0.06079834 0.00343103 -0.00275787 -0.00679647 +C 3.05734251 5.85062730 6.84772780 -0.00165551 0.00241547 0.00606307 0.01864303 0.01412843 0.06268052 0.00156901 0.00181346 0.00687158 +H 5.10677355 6.21655653 7.85279049 0.00164620 -0.02107129 -0.00265741 -0.08779459 -0.25406923 -0.07160330 -0.00643165 -0.04432568 0.00611053 +C 7.51398187 6.94529146 6.21686608 0.00019298 0.00079451 -0.00149552 -0.02288545 0.00491448 -0.02332114 -0.00383701 -0.00068371 -0.00461186 +H 6.43186141 8.23028956 5.09541362 0.00494941 0.02419757 -0.00134980 0.02384590 0.05771709 0.07302995 0.00313162 0.00398266 0.00861118 +O 7.62247806 5.94737147 6.90363789 -0.00098174 0.00249353 -0.00186877 -0.01796650 0.01175788 -0.00429046 -0.00455669 0.00102745 0.00049294 +C 8.79267023 7.52327856 5.70877044 0.00502771 -0.00831954 0.00616027 0.05188011 -0.04067124 0.03595794 0.00777989 -0.00261273 0.00363562 +H 9.25338123 6.72277185 5.13248359 0.00571498 0.01270739 -0.02296264 0.07990015 0.07095814 -0.08675975 0.01747053 0.00669951 0.00513728 +H 8.77377451 8.37552083 5.02989008 -0.00198678 -0.00476974 0.00249298 -0.09806015 -0.01924071 0.09852438 -0.02044984 0.00200311 0.02365856 +H 9.45363441 7.72091001 6.54120437 0.00218351 0.01557335 0.02724201 -0.03393868 0.06972784 0.06241514 -0.00720944 0.00019247 -0.00952338 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92666159 5.83423452 5.89533568 0.00681166 -0.00159796 0.00170338 0.04178319 -0.01810573 0.00648107 0.00325297 -0.00112717 0.00032043 +C 2.25587394 6.09499249 5.78268766 -0.00756727 0.00362636 -0.00070580 0.00087140 0.02631165 0.00393609 0.00858443 0.00070557 0.00126250 +H 0.46606717 6.61984188 5.85228990 0.02940892 0.00432094 0.01642850 0.07239504 0.03488555 0.12335567 0.00594157 -0.02809364 0.01845330 +C 2.66860236 7.44933802 5.89380323 0.00599824 -0.00496347 -0.00059072 0.00294213 -0.02211459 -0.00247057 -0.00294692 0.00128290 0.00048871 +H 3.05582012 4.13025698 5.51610549 -0.00981267 -0.04753003 -0.01555335 -0.01604254 -0.00716638 0.02512923 0.00360149 0.03984583 0.01830524 +C 3.98451127 7.83608306 6.02837237 0.00488217 0.00630219 -0.00151187 0.02187654 0.03453952 -0.00816231 -0.00024257 0.00152830 -0.00151349 +H 1.87825082 8.19081233 5.91242530 -0.00004056 -0.00716568 0.00063143 0.04831544 -0.00595125 0.03940786 0.00440514 0.00968485 0.00917455 +C 4.98223940 6.87334724 5.97677342 -0.00505777 -0.00397864 -0.00189824 -0.00875606 -0.01484417 -0.02596685 0.00302197 0.00286338 -0.00428568 +H 4.20050727 8.88795051 6.20716045 -0.01194969 0.00579899 -0.00688828 -0.01973407 0.04982947 -0.06442400 0.00976696 0.00865942 -0.00906849 +C 4.63649972 5.52118764 5.65020935 0.00091677 0.00333832 0.00197900 -0.00336336 0.03063202 0.03846762 -0.00274474 0.00173048 0.00721953 +N 6.27791792 7.37946066 6.03231236 -0.00366773 0.00054899 -0.00067617 -0.01220734 -0.03077042 0.00039096 -0.00019972 -0.00669508 0.00059428 +C 3.28781783 5.13105398 5.69918507 -0.00006224 0.00281034 -0.00053219 -0.02199535 -0.00882178 -0.02753872 -0.00490434 -0.00317379 -0.00634854 +H 5.42429452 4.76327362 5.60513645 -0.01791883 0.02849693 -0.00242509 0.01849975 0.04139929 -0.08687643 0.01534392 -0.00979384 -0.01544286 +C 7.52554534 6.82560834 6.01409941 -0.00400258 -0.00655930 0.00584980 -0.02717008 -0.00052635 0.02380811 -0.00265938 0.00624006 0.00039110 +H 6.33060519 8.37561285 6.25126035 0.00398050 -0.03448399 -0.01708182 0.00118098 0.03227491 -0.15362653 -0.00640019 0.01526581 -0.02730827 +O 7.84665460 5.66088890 6.16119392 0.00202771 0.00458311 -0.00185185 0.00469318 0.01155655 -0.01181041 -0.00077050 -0.00154806 -0.00136627 +C 8.63685213 7.84530496 5.74439562 -0.00002894 0.00099999 -0.00173184 -0.02626562 0.00253908 0.00718915 -0.00393767 -0.00180363 0.00228736 +H 8.20866337 8.78837820 5.42141727 0.00377155 0.00099715 0.00082643 0.03247135 0.04748850 0.01424918 0.00708464 0.00688634 0.00610476 +H 9.19903398 8.02691564 6.64351309 -0.01917370 -0.02815042 0.00136430 -0.05437683 -0.13756727 0.08789532 -0.00433108 -0.00713059 0.00679653 +H 9.29504255 7.55238610 4.99161263 -0.00895415 0.00393061 0.02422494 0.08635326 -0.09222392 -0.01632610 -0.00258039 -0.01151791 0.00726664 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99940128 5.71423076 5.82301166 -0.00825490 0.00245448 0.00934591 -0.04173568 0.01392346 0.05680461 -0.00313099 0.00144319 0.00694515 +C 2.34732158 5.92243415 5.80942123 0.00341229 -0.00149890 -0.00443133 -0.00202727 0.00478119 -0.01094603 -0.00510580 0.00110428 0.00078835 +H 0.64779630 5.79215390 6.71957360 -0.01460992 -0.00091169 -0.01184848 -0.14026765 0.03943717 0.02149220 -0.01562344 0.01235549 0.01038474 +C 3.17922253 4.99148592 5.22823111 0.00311672 0.00090725 -0.00212151 0.02534733 -0.00048017 -0.03243162 0.00314330 -0.00066651 -0.00572980 +H 2.28219564 7.88620328 6.77486409 0.02430112 -0.01453329 -0.00788107 -0.02041260 -0.01204037 0.02057995 -0.01905894 -0.00425963 0.00749322 +C 4.55953501 5.26750909 5.09632882 -0.00025611 -0.01419334 0.00044877 0.01705678 -0.06418544 0.00287717 0.00550211 -0.00160194 0.00003832 +H 2.69518401 4.15247147 4.69746119 0.01190257 0.00934572 0.00627250 0.08791072 -0.04594333 0.04127314 0.00450793 -0.02780897 -0.00300145 +C 5.12586509 6.46167947 5.64429275 0.00159173 -0.00082714 -0.00017748 -0.00041677 -0.01968419 0.00749788 -0.00122255 -0.00510977 0.00130197 +H 5.18963763 4.59340433 4.52394452 -0.00819898 0.01404639 -0.04223372 -0.07568003 0.04390451 -0.17464339 -0.00755793 -0.00673162 -0.00147108 +C 4.25398128 7.36834438 6.32378790 -0.00078972 0.00552907 -0.00714930 0.00879800 0.03023918 -0.07241162 0.00304713 0.00280158 -0.01112988 +N 6.50529168 6.65182850 5.50042967 0.00001530 0.00903820 0.00378940 -0.00443698 0.04788338 0.00588764 -0.00152457 0.00404823 -0.00193134 +C 2.89787273 7.10950486 6.35840498 -0.00055183 -0.00319068 -0.00333115 -0.00551251 -0.02737709 -0.02440651 -0.00046216 -0.00131428 -0.00275688 +H 4.50889796 8.39273523 6.51842877 0.00906179 -0.00606290 0.01807460 0.15365491 -0.08142637 0.21979286 0.01953006 -0.02710456 0.02744028 +C 7.38014138 7.39270552 6.19405246 0.00784391 0.00288903 -0.00034987 0.01689241 0.03100090 0.00213921 -0.00343195 0.00551126 0.00096427 +H 6.87770661 6.17177998 4.71438817 -0.01356762 -0.00790353 -0.01301790 -0.03314705 -0.01435369 0.04780960 0.00913020 0.00264452 0.02113710 +O 7.03461596 8.20018607 7.05559762 -0.00386597 0.00220124 0.00299460 -0.01503489 0.01032366 0.01980678 0.00009823 0.00071973 0.00248565 +C 8.80750327 7.25449609 5.76966256 0.00300863 -0.00544830 0.00013226 0.03433940 -0.03833266 0.00955022 0.00288597 -0.00412802 0.00129949 +H 9.17445105 6.20979665 5.99989567 -0.00505148 -0.01375655 -0.01736055 -0.07448080 -0.02840245 -0.21961089 -0.00360743 -0.02073857 -0.03671961 +H 8.90222736 7.52212135 4.69738148 -0.00422373 0.02606510 0.00513372 0.04366008 0.14055158 0.10891211 0.01780652 0.01723766 0.01175018 +H 9.48901952 7.88320444 6.43718995 -0.01448644 -0.01711719 0.01665849 -0.10428288 -0.09058387 0.04421608 0.01228852 0.00437599 0.02154423 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92119154 5.91596733 5.84842730 0.00775511 0.00180845 0.00205548 0.05115010 0.00646942 0.02537128 0.00340039 0.00015808 0.00637100 +C 2.32193759 5.95820826 5.94571069 -0.00804516 -0.00610621 0.00351611 -0.05411249 -0.02601389 0.02074175 0.00049355 -0.00068893 -0.00066061 +H 0.56499181 5.71388085 4.95625053 -0.02806675 0.00759344 0.03139032 -0.13878117 0.04839901 0.13244912 -0.00744006 0.00319272 -0.00707017 +C 2.91152210 6.15418338 7.19342987 0.00474434 0.00169562 -0.00558013 0.02688618 0.00462025 -0.00668117 0.00071858 -0.00072678 0.00024461 +H 2.70719304 5.86567910 3.86256307 0.00619319 -0.01627429 -0.01696516 0.02336203 -0.05266512 -0.04795568 0.00280740 0.00507833 0.00773537 +C 4.29226611 6.40345453 7.39980070 -0.00355048 0.00353501 -0.00086390 -0.02137469 0.03453129 -0.01145756 -0.00012808 0.00564029 -0.00455913 +H 2.35099045 6.11929685 8.19423376 0.01296258 -0.00454299 -0.02899960 -0.06525150 -0.03075561 -0.17012403 -0.04436686 -0.00401068 0.02277271 +C 5.07685475 6.60564607 6.25269367 -0.00334950 -0.00610609 0.00012527 -0.01460210 -0.05157916 -0.03324313 -0.00179861 -0.00740439 -0.00634051 +H 4.61344822 6.56296421 8.42571625 0.02269511 0.00334687 0.01156272 0.11831505 -0.01048377 -0.09568810 0.00745497 -0.00222298 -0.02033104 +C 4.47228630 6.32393530 4.94777794 -0.00077298 0.00206185 0.00226612 0.00256953 0.02211685 0.02516690 -0.00024336 0.00335994 0.00269006 +N 6.45440844 6.90906148 6.39628585 -0.00766568 0.00016731 -0.00532645 -0.06699845 -0.00509685 -0.00115143 -0.00828643 -0.00147675 0.00509028 +C 3.10092839 6.02323335 4.83645678 -0.00102967 0.00143293 -0.00266362 0.00305492 0.00211129 -0.03646440 -0.00010635 -0.00130022 -0.00500242 +H 5.03262505 6.37328943 4.00757910 -0.00487975 0.00670244 -0.00251794 0.00787872 0.05640121 0.06463907 0.01402653 0.00930993 0.00891928 +C 7.42310440 7.26957406 5.61793869 -0.00346115 -0.00272546 -0.00187837 0.00051563 -0.02180297 -0.02743897 0.00323810 -0.00415185 -0.00083831 +H 6.81284906 6.89848122 7.29498024 -0.00769557 -0.00374752 0.00408246 -0.13009716 -0.05189110 0.05740422 -0.03323114 -0.00789489 -0.01140462 +O 7.28828653 7.42415265 4.40135345 0.00322579 0.00170011 0.00519648 0.02279722 0.01464106 0.02666305 0.00305257 0.00260394 0.00048486 +C 8.80273863 7.39251881 6.26909057 0.00597889 0.00401867 0.00131310 0.03721334 0.00843598 0.00738093 0.00324146 0.00137420 -0.00168351 +H 9.35113206 6.42119124 6.21452551 0.03604649 -0.01576294 0.02245348 0.07287908 0.12581841 0.13544224 0.00001422 0.01760372 0.01130505 +H 9.38562306 8.15374752 5.79428176 0.00187048 -0.00768788 -0.01799060 0.03301548 -0.02503529 -0.12696490 -0.00161094 -0.01051033 -0.00390218 +H 8.67569787 7.71310064 7.32529709 0.00613413 -0.00150043 0.00076409 0.07250436 0.00461005 -0.02037331 0.01054383 0.01257996 0.00486136 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.91776021 5.77480315 5.84934561 0.00118992 -0.00226875 -0.00662071 0.03733508 -0.02196168 -0.04842146 0.00756555 -0.00285030 -0.00771352 +C 2.29995484 6.12396241 5.74532488 -0.00037275 -0.00140060 0.00591016 -0.03076725 -0.01984212 0.06110632 -0.00432438 -0.00215274 0.00787542 +H 0.84868304 4.95476268 6.30978748 -0.01354442 -0.01523142 0.01582049 -0.11688618 0.08982408 0.02500640 -0.02040096 0.01538308 0.00851483 +C 2.86625743 6.71020921 4.62474066 0.00168280 0.00155664 0.00283962 -0.00233097 0.01307323 0.02010337 -0.00426975 0.00235331 0.00094078 +H 2.75496454 5.02867878 7.55150557 0.00581278 0.00256108 -0.01472472 0.00149288 0.10472187 0.09261897 -0.00347327 0.02247362 0.03885450 +C 4.21354711 7.04325670 4.61826820 0.00486857 0.00085739 -0.00215524 0.03781204 0.01777187 -0.02796933 0.00468163 0.00307350 -0.00304407 +H 2.27935705 6.89906838 3.81395370 -0.00593234 0.00138573 0.00255832 -0.06463718 0.03484765 -0.04587359 0.01465293 0.00001252 0.02205117 +C 5.05631459 6.83518094 5.68041646 0.00435557 -0.00237683 0.00106241 0.02680119 -0.03250594 0.01358385 0.00025917 -0.00548472 0.00017051 +H 4.66606445 7.47044312 3.72513785 0.02614949 0.00929863 0.01093372 0.04310886 0.07912559 0.02411715 -0.01212493 0.01462503 -0.01282190 +C 4.52083645 6.08428692 6.80559393 0.00282323 0.00429710 0.00163002 0.01456671 0.03707910 0.00280713 0.00250419 0.00357057 0.00169097 +N 6.40372943 7.23821844 5.42899661 -0.00632215 0.00049736 0.00345279 -0.05854134 0.00454097 0.02244433 -0.00668156 0.00019411 0.00383850 +C 3.12309158 5.78860512 6.85071150 -0.00128800 0.00231379 0.00496033 0.01599391 0.00500302 0.00874136 0.00555476 -0.00061939 -0.00111349 +H 5.11819062 5.74978175 7.58799044 0.01333969 -0.01906222 -0.00664808 0.08384384 -0.07609869 -0.03402926 -0.01053833 0.01224919 -0.01978359 +C 7.44785658 7.02270011 6.17850364 -0.00291310 -0.00562339 -0.00319343 -0.01106511 -0.04497820 -0.00451999 -0.00039518 -0.00396855 -0.00127139 +H 6.54968819 7.80748305 4.62120416 0.00212980 -0.00298613 -0.01598728 -0.01545853 -0.07172997 -0.00433392 -0.00915588 -0.01200937 0.00882560 +O 7.47752195 6.27429882 7.15798699 -0.00708343 0.00445275 -0.00264731 -0.05205130 0.02473620 -0.01141344 -0.00732723 0.00147970 0.00079533 +C 8.69273227 7.70920388 5.84476748 0.00341501 0.00013785 -0.00428133 0.04375590 0.00712128 -0.03060301 0.00779477 -0.00127538 -0.00456893 +H 8.65638186 8.80774916 6.06059700 0.01140133 -0.02106047 0.03363778 0.03529721 -0.09373862 0.19465524 0.00074489 0.00888477 0.02261096 +H 9.51846001 7.34682166 6.42751384 -0.00436949 -0.01659717 0.00038281 -0.01553411 -0.14453673 -0.01056738 -0.00329691 -0.01779194 -0.01731928 +H 8.99673982 7.53649848 4.83960910 -0.00338983 0.02295304 -0.00754959 -0.03337857 0.17632357 -0.11912602 -0.00801163 0.02889115 -0.00256598 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99520563 5.71584597 5.77517948 -0.01218676 -0.00090388 -0.00225892 -0.06298553 0.00608680 -0.01938590 -0.00585929 0.00299723 -0.00272077 +C 2.30696889 6.16377313 5.83894861 -0.00181654 -0.00373842 -0.00032557 -0.03819505 -0.04102646 0.00270657 -0.00701346 -0.00515658 0.00188245 +H 0.94556064 4.97343181 5.14542985 -0.02242072 0.00581900 0.00698545 -0.19733350 -0.01588482 0.04405228 -0.02931899 -0.01571490 -0.00026366 +C 2.61634514 7.39473204 6.35099703 0.00139990 0.00152005 0.00237794 0.03417981 0.01595613 0.02062207 0.00645452 0.00095682 0.00292680 +H 3.19149231 4.40185175 4.93075151 0.00309696 0.00961011 -0.02530855 -0.04451817 0.01716356 -0.06672184 -0.01154719 -0.00129470 0.01249091 +C 4.00053304 7.73250684 6.50770739 0.00563871 -0.00058091 -0.00165211 0.01639145 0.03671701 -0.00617766 -0.00006081 0.00860706 -0.00020125 +H 1.81705946 8.10785199 6.54345931 0.01706552 0.00022856 0.00954077 0.07493692 0.02331195 0.15239277 0.00476963 0.00302207 0.02946047 +C 5.04406287 6.94397253 6.08006497 0.00509125 0.00514566 -0.00127935 0.01049194 -0.00435897 -0.01403720 -0.00364402 -0.00687882 -0.00297201 +H 4.27517530 8.73987549 6.81296724 0.01836778 -0.00531376 0.01985605 0.02142366 -0.05008719 0.15088995 -0.00907717 0.00295506 0.02203273 +C 4.67539409 5.68359455 5.62614163 0.00058589 -0.00459301 -0.00288657 0.01775990 -0.03325842 -0.03820313 0.00479379 -0.00437896 -0.00710863 +N 6.30392807 7.48414912 5.99870140 -0.00407353 -0.00286337 0.00214862 -0.00963555 -0.02400162 0.02064206 0.00145692 -0.00022076 0.00362545 +C 3.34744244 5.32074537 5.44762904 0.00261843 -0.00131895 0.00277651 0.00401394 -0.02298543 0.00688114 -0.00270193 -0.00564183 -0.00177294 +H 5.34800324 5.00529560 5.15356392 -0.01146485 -0.02014410 0.00051695 0.03754609 -0.10613291 0.05644484 0.01449201 -0.00030561 0.01562474 +C 7.50270955 6.83270454 5.89289932 -0.00293937 0.00675466 -0.00457728 -0.04364455 0.02225209 -0.03619047 -0.00507555 -0.00052843 -0.00557020 +H 6.23040585 8.45693540 6.10236810 -0.00861117 -0.01263514 -0.00093938 0.09870276 0.02891289 -0.00475187 0.02919532 -0.01228554 -0.00204913 +O 7.57373974 5.57459864 5.77817000 0.00095297 0.00031996 0.00495478 0.01733017 0.03409804 0.03783837 0.00348361 0.00900744 0.00558053 +C 8.66419714 7.78258833 5.80319006 0.00724626 0.00268139 -0.00151185 0.06137954 0.01593378 -0.02833858 0.00734916 0.00073306 0.00146377 +H 8.94312471 8.28234411 6.65084966 -0.00235612 0.00127330 0.00311618 -0.02726422 -0.00677740 0.14213810 -0.01254314 -0.02325962 -0.01377599 +H 9.57051524 7.22780443 5.43152601 0.00779581 0.00047698 0.00040655 0.01042979 0.01765902 0.03680071 0.01906823 -0.01057275 0.00251929 +H 8.45108892 8.62824027 5.03915833 0.02104321 -0.00020866 -0.00247758 0.14134677 -0.08412206 0.01406409 0.01121069 0.01640122 -0.02654141 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97804874 5.95096950 5.84782525 0.00463637 -0.00167422 0.00110291 0.01689790 -0.01816810 -0.01017820 0.00019913 -0.00367519 -0.00346798 +C 2.31280084 5.94962294 5.76004944 0.00385693 -0.00014244 0.00096902 0.02608612 0.00198056 -0.01460322 0.00275508 0.00121374 -0.00364598 +H 0.56422925 5.83721215 6.71328430 0.00012655 0.01305097 -0.02000430 0.02050329 0.09754631 0.01086987 0.01022180 0.01511701 0.01262217 +C 2.97033798 5.80349659 4.51547056 0.00271324 -0.00285061 0.00441091 0.04898325 -0.02579288 0.03761522 0.00943804 -0.00417639 0.00314340 +H 2.44246969 6.79709656 7.61613252 0.00036890 -0.03161537 0.00613728 0.05223716 -0.28520571 0.20422082 0.02276160 -0.04671713 0.02198864 +C 4.38136979 5.97734402 4.46115500 0.00486243 0.00604249 0.00124516 0.02891040 0.04858811 0.01879708 0.00356803 0.00578266 0.00069456 +H 2.51908367 5.48308985 3.60820382 0.01499723 0.00937179 0.01012895 -0.05933584 0.05097455 0.01499815 -0.01365864 0.00676867 0.01442219 +C 5.14575209 6.44751659 5.58432619 0.00286941 0.00298351 0.00112627 0.00192001 0.00156776 -0.00508698 -0.00258978 -0.00063572 0.00105314 +H 4.86482561 5.86851869 3.51833124 -0.00836155 -0.00526497 0.01762360 0.03013857 -0.05508713 -0.01895912 0.00681130 -0.00129341 -0.00043550 +C 4.44838066 6.57131285 6.76891903 -0.00377147 0.00252825 0.00294959 -0.04977793 0.02743399 0.02921873 -0.00679947 0.00607130 0.00571384 +N 6.51036438 6.70540402 5.46617745 -0.00133056 0.00092782 -0.00483018 -0.00991559 0.02054645 -0.02080672 -0.00203502 0.00307867 -0.00241025 +C 3.03596583 6.33864665 6.85737705 -0.00493298 0.00297402 -0.00362424 -0.00788702 0.04026244 -0.01124569 0.00039113 0.00734147 0.00325116 +H 4.93525842 7.04551428 7.57829784 -0.02976443 -0.01150284 0.00632181 -0.11722868 -0.07487784 0.18768632 -0.00863840 -0.01948477 0.01757679 +C 7.35898502 7.37302597 6.28357373 -0.00518937 0.00049357 -0.00633652 -0.02622567 -0.00256541 -0.00356880 -0.00084483 -0.00179909 0.00232242 +H 7.03780560 6.48770004 4.63937558 -0.00602060 -0.03007564 0.01705793 -0.12091121 -0.25201607 -0.00815240 -0.02696678 -0.02418373 0.00092262 +O 7.15508953 7.76147375 7.49085666 0.00122010 -0.00248321 -0.00227573 0.00608915 -0.02350299 -0.05186700 -0.00019433 -0.00363206 -0.01056601 +C 8.76303170 7.42079031 5.69307818 -0.00357969 -0.00350817 0.00529508 -0.02279714 -0.01405219 0.01462582 -0.00172854 -0.00087927 0.00099503 +H 9.51225265 7.07664456 6.38466337 -0.01696004 -0.01727935 -0.01229776 -0.04966291 -0.15383456 0.03514105 -0.01038268 -0.01722275 0.00713314 +H 8.78681418 6.72400735 4.83500160 -0.00638572 0.01422138 -0.01375373 0.01227380 0.13095549 -0.04958295 0.00693473 0.01358931 -0.01015394 +H 9.06784092 8.39167107 5.32445084 0.01532489 0.01065910 0.00260599 0.01430637 -0.00510015 0.11420544 -0.00880372 -0.00730791 0.03097386 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.08379748 5.71570516 5.69448311 -0.00545683 -0.00295576 -0.00430560 -0.02867835 -0.02973324 -0.01677696 -0.00199573 -0.00425743 0.00012755 +C 2.36729755 6.06058968 5.97029982 0.00067476 0.00746824 0.00678408 -0.02416008 0.06787889 0.03220685 -0.00711917 0.00615661 -0.00117856 +H 1.03473846 4.80300423 5.59371493 0.00282472 -0.02153744 -0.00354729 -0.02525135 -0.02304917 -0.04252181 -0.00743856 0.01010039 -0.00897898 +C 2.58914083 7.33436032 6.60337087 0.00138607 0.00020555 0.00226285 0.00274101 -0.01540044 0.01712199 -0.00251749 -0.00003233 0.00505772 +H 3.07737505 4.48841577 4.83994691 0.00621492 0.00198047 0.03285067 0.05824557 -0.10872516 0.08412801 0.01395203 -0.00110279 0.00141787 +C 3.90646898 7.80869906 6.60463370 -0.00632693 -0.00027258 0.00035214 0.02212570 -0.02528907 -0.01054402 0.00986772 -0.00590906 -0.00213817 +H 1.81829031 7.82065749 7.05109413 -0.01724785 -0.00020817 0.01678146 -0.05082588 0.03958176 0.03640575 0.03334234 -0.00804530 -0.02251883 +C 4.99813252 6.97933507 6.02393940 0.00313794 -0.00216450 0.00355332 0.00052328 0.01703326 0.02625619 -0.00129186 0.00390909 0.00169650 +H 4.20202772 8.75913439 7.03391272 0.00557906 0.00327912 -0.00145727 -0.07218919 -0.02227850 0.00794869 -0.01893009 -0.00526624 0.00411398 +C 4.68117868 5.78153787 5.33928877 0.01058429 -0.00394857 -0.00405439 0.05321424 -0.00500038 -0.00876598 0.00502716 0.00225865 0.00087888 +N 6.30547610 7.51773046 6.01344139 0.00171318 -0.00448830 -0.00326380 -0.00097573 -0.02548816 -0.02562777 -0.00160274 -0.00090218 -0.00333529 +C 3.37366238 5.35469968 5.36020216 0.00182894 0.00595184 -0.00308956 0.00825306 0.03122594 -0.01631865 -0.00008188 0.00146488 -0.00117667 +H 5.33606129 5.18596019 4.76160792 -0.00428459 0.00799962 -0.00074529 0.16002083 -0.00340826 -0.01646770 0.02174421 0.00719651 0.01444683 +C 7.43960632 6.82592708 5.84203746 0.00314148 0.01115101 -0.00539500 0.01613079 0.04352713 -0.02451277 -0.00045820 -0.00362146 -0.00134808 +H 6.41000445 8.51156233 6.05117805 0.01962685 0.00028183 0.01136902 0.05505592 -0.05083846 0.10499980 -0.00761783 -0.01257287 0.01645595 +O 7.57121083 5.61561354 5.82346522 0.00004299 -0.00041745 0.00347355 -0.00352413 0.00494184 0.02107071 -0.00082153 0.00327319 0.00241878 +C 8.67686433 7.67733466 5.77194855 -0.00863430 -0.00315916 -0.00034482 -0.03585946 -0.03283679 -0.00739594 0.00026879 -0.00338483 -0.00385595 +H 8.89548509 8.13270237 6.76385930 -0.00787061 -0.02008950 -0.01702754 -0.04474065 -0.00438370 -0.03650924 -0.00490471 0.01982557 0.01406225 +H 9.50873200 7.03894597 5.51697112 -0.00961134 -0.01284694 0.00978055 -0.04221884 -0.08747066 0.07796335 -0.00529075 -0.00672126 0.00979940 +H 8.61537873 8.34829658 4.94321843 -0.00212755 -0.02444811 0.00973732 -0.02542128 0.04142121 -0.02387283 -0.00189936 0.01471666 0.00173053 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95479924 5.86774750 5.79941248 0.00218305 -0.00074652 -0.00213368 0.01588911 -0.01158450 -0.01877371 0.00204013 0.00035082 -0.00233888 +C 2.28839686 6.20359375 5.87606349 -0.00263570 0.00213810 -0.00016270 -0.01347165 0.00042375 0.00155516 0.00073153 -0.00058581 0.00099724 +H 0.80352347 4.96519582 5.48242349 0.00001441 -0.02141878 0.00081052 0.02833822 0.00884420 0.06401690 0.00129145 -0.02133986 0.00321350 +C 2.67345998 7.47477089 6.24046777 0.00040246 0.01117177 0.00663673 -0.00470784 0.05508807 0.02500591 -0.00599703 0.00254232 -0.00039559 +H 3.08242839 4.21791363 5.42138609 0.00044585 -0.00820436 -0.01622617 -0.11015606 -0.02073338 -0.13031027 -0.02496418 0.01192750 -0.01286358 +C 4.03106926 7.73784593 6.27811583 -0.00950927 -0.00183120 0.00118905 -0.03560011 0.01429421 0.01308986 0.00282859 0.00196579 0.00214563 +H 2.05940791 8.35066807 6.37822400 0.01383647 -0.01284601 -0.01394945 -0.15005184 0.00462390 -0.01252608 -0.03323751 0.00116811 0.01098533 +C 4.99726604 6.79198663 6.06099984 0.00097123 0.00129071 -0.00237766 0.03879531 -0.02313707 -0.01443000 0.00550136 -0.00497460 -0.00116352 +H 4.34776062 8.80458725 6.41666438 0.00009292 -0.01733414 0.00776430 -0.03064405 -0.07158996 0.13018028 -0.00147083 0.02590336 0.03046549 +C 4.62810945 5.45427386 5.66762043 0.00015864 -0.01001013 -0.00332692 0.02866895 -0.01114136 -0.00178071 0.00580034 0.00536252 0.00319114 +N 6.32503159 7.26308542 6.31076228 0.00442369 0.00497823 0.00262782 -0.01470595 0.01481260 -0.00553601 -0.00606074 0.00080610 -0.00361685 +C 3.29407199 5.23464225 5.61140052 0.00047233 -0.00214282 0.00009094 -0.03610502 -0.04285441 -0.00551490 -0.00867207 -0.00911065 -0.00213854 +H 5.31348187 4.63152198 5.43030718 -0.00279670 -0.00327025 0.02121285 0.06022681 -0.01297082 0.14571008 0.01777646 -0.00094819 0.01350614 +C 7.49244603 6.84029705 5.83990367 -0.00045318 0.00218105 -0.00364078 0.01656970 0.05015404 -0.01140234 0.00357461 0.00854662 -0.00006217 +H 6.24433424 8.20746394 6.66899305 -0.02108482 -0.01745629 -0.00397878 0.03132651 0.02012566 0.05777174 0.02527334 0.00717721 0.01287745 +O 7.72193439 5.76919343 5.35653987 -0.00265502 -0.00061206 0.00239086 -0.01742105 -0.01744920 0.00842072 -0.00227326 -0.00263194 0.00055104 +C 8.60783569 7.92554186 5.96206238 0.00404853 0.00199767 -0.00086070 0.03174749 -0.01722812 0.00627985 0.00391488 -0.00310083 -0.00053152 +H 9.32014809 7.58191303 6.75154963 0.02245678 -0.01599833 0.00035363 0.01008041 -0.00998963 -0.06937284 0.00091831 0.00289572 0.00257846 +H 9.21883158 8.08789161 5.10402466 0.01145215 -0.00446403 0.00076973 0.00296114 -0.04351282 -0.06835684 -0.01940173 -0.01131712 -0.00266586 +H 8.13039170 8.82960975 6.26860284 -0.00040963 -0.00375848 -0.00813681 0.07800409 0.07516268 -0.02841838 0.03019485 0.00184819 -0.00380116 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94729601 5.90806805 5.78469130 0.00600092 0.00186899 -0.00038041 0.04262802 0.00735578 -0.00803448 0.00570729 0.00008062 -0.00236576 +C 2.30046053 6.07383260 5.93875350 -0.00045464 0.00395905 0.00116472 0.02716063 0.03394763 0.00085527 0.00787912 0.00303409 -0.00340967 +H 0.72462792 5.47063651 5.01361408 0.00847796 -0.00472024 -0.00977487 0.06315900 -0.01259132 -0.01334988 0.01170827 0.00593354 0.01435622 +C 2.76889744 6.97108913 6.96216281 0.00013339 -0.00770114 0.00118546 -0.00660174 -0.05168329 0.01953730 0.00026219 -0.00627385 0.00412357 +H 2.97324095 4.95258969 4.15987508 -0.01524055 0.00374429 -0.02703141 -0.02186117 0.10219624 -0.02302659 0.00098229 0.00175269 -0.00762653 +C 4.13350108 7.27726957 7.14270044 0.00574889 0.00322353 -0.00232347 -0.00156137 0.02039329 -0.01194375 -0.00685725 0.00433290 0.00099131 +H 2.05694878 7.43765317 7.65181546 -0.01759943 -0.01408341 0.00392335 -0.05283164 -0.12416776 -0.04893017 -0.00730921 -0.01106296 -0.00243347 +C 5.04498216 6.67352779 6.27512722 -0.00150814 0.00372296 0.00301161 0.00583840 0.03188101 -0.00187421 0.00235679 0.00488495 -0.00390357 +H 4.41406366 7.98148144 7.85087603 -0.01921534 0.02942114 0.00206580 -0.07155694 0.09991559 0.00642115 -0.00306554 -0.02082688 -0.01879229 +C 4.62099419 5.91454469 5.17945922 -0.00602370 -0.00088855 0.00554740 -0.03680826 -0.01382212 0.04446471 -0.00254559 -0.00334267 0.00671469 +N 6.32240357 7.14263441 6.36847714 0.00452789 0.00007861 -0.00846727 0.01113302 0.01447619 -0.04104838 -0.00277096 0.00269326 -0.00307024 +C 3.27050642 5.57660906 5.02975379 0.00635814 -0.00462426 -0.00508161 -0.00364760 -0.02982765 -0.03231528 -0.00761067 -0.00045274 -0.00000810 +H 5.31855020 5.58778891 4.38603004 -0.01286718 0.00545161 0.03912260 0.02862773 -0.05488209 0.13914980 0.01802164 -0.02169513 -0.00539990 +C 7.43761578 6.94810433 5.65737423 -0.00713941 -0.00430390 0.00216753 -0.01535244 -0.03125823 -0.00155167 0.00487212 -0.00204940 -0.00107710 +H 6.37740217 7.94393231 6.99225015 -0.01566591 -0.00208657 0.01470781 0.00702086 -0.11850121 0.05504392 0.02237172 -0.01261854 0.01218714 +O 7.66127582 6.14025998 4.72231866 -0.00633916 0.00219367 0.00089581 -0.05688419 0.01794872 0.01500029 -0.00945473 0.00169462 0.00205958 +C 8.54681182 7.82503600 6.09935417 0.00408073 0.00161778 0.00028097 0.02540741 0.01603534 -0.00240945 0.00239272 -0.00097613 -0.00129115 +H 8.23639861 8.61032224 6.85494653 -0.00360648 -0.01687609 0.01489930 0.07174542 -0.23955418 0.13756606 0.01385170 -0.01992115 0.03193069 +H 9.36350198 7.10463474 6.30641412 0.00617167 0.00963732 0.00270164 0.08077214 0.17310102 0.10268380 0.01966419 0.02399215 0.01984330 +H 8.83055209 8.53560418 5.28239493 -0.00224787 -0.01654978 -0.00206458 0.03280357 -0.13835194 -0.07162958 0.01282875 -0.00111221 -0.02204153 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.05396043 5.82782810 5.78969026 0.00195736 0.00485594 0.00380126 -0.01522278 0.02615176 0.01978149 -0.00432877 0.00170948 0.00189922 +C 2.35477191 5.94075130 5.74116609 0.00751883 -0.00497899 0.00101674 0.04097107 -0.02607579 0.01281824 0.00100503 -0.00272178 0.00213285 +H 0.58631361 6.62935520 5.78306492 -0.01195169 0.01970225 -0.01713771 0.02094636 0.02327628 -0.08812595 0.01073700 -0.00007252 -0.00945793 +C 3.17701786 4.91015615 5.26688771 -0.00094429 -0.00064578 -0.00478172 -0.00278577 -0.01596138 -0.03013271 0.00173759 -0.00221906 -0.00238245 +H 2.15867324 7.86474956 6.75598840 -0.00879199 -0.02165333 0.00105367 0.01698587 -0.11660495 -0.05730317 -0.00346207 0.00949638 -0.00220009 +C 4.56843110 5.15032116 5.27819037 -0.00423076 -0.00328406 0.00194116 -0.01198446 -0.03509827 -0.00648812 0.00104868 -0.00540633 -0.00412257 +H 2.71629792 3.97973603 4.90429066 -0.00113716 -0.02755033 0.00909981 0.07997230 -0.01523610 0.04100436 0.00805069 0.00174978 -0.00886109 +C 5.13481219 6.29244868 5.81212995 0.00292454 -0.00267672 0.00320043 0.01799994 0.00801127 0.02780400 -0.00021805 0.00372909 0.00365621 +H 5.31790769 4.51201112 4.84493868 -0.01779515 0.00273930 -0.04048309 -0.22332713 -0.09739763 -0.19701733 -0.03393984 -0.02245700 -0.00622080 +C 4.26961222 7.28543943 6.32833430 0.00003295 0.00412693 -0.00218265 -0.00241047 0.02399297 -0.01390479 -0.00059083 0.00088611 -0.00099596 +N 6.54463735 6.44233488 5.72807050 -0.00108887 0.00700000 0.00100473 -0.03267117 0.04206537 0.00842314 -0.00632368 0.00349723 0.00082926 +C 2.85084259 7.12332488 6.27960054 -0.00109953 -0.00598064 -0.00628948 0.02850693 -0.02978635 -0.02942120 0.01021534 -0.00344742 -0.00298778 +H 4.74065718 8.21179618 6.68771446 0.00537647 -0.01408094 0.03434708 -0.10585719 -0.08845704 0.23092329 -0.02317691 0.00182422 0.02685880 +C 7.31863829 7.47567604 6.12853567 -0.00112460 0.00185126 -0.00312009 0.01360000 0.01010513 -0.02053641 0.00336079 0.00264486 -0.00068129 +H 6.98510954 5.67067444 5.29131650 -0.02508615 -0.01737625 0.01637699 -0.05586367 -0.02780006 0.08166516 0.00533236 0.02086742 0.01038952 +O 7.03008567 8.38952444 6.86615442 0.00417598 0.00584514 0.00184025 0.01986512 0.04255342 0.01131275 0.00183273 0.00521152 0.00035102 +C 8.75593971 7.40910501 5.64072289 -0.00066989 -0.00468941 0.00132522 -0.00757273 -0.04783982 0.00726349 -0.00428050 -0.00979032 -0.00061226 +H 9.07674190 6.38524745 5.91397052 -0.01897145 -0.01876695 -0.02321578 -0.02413508 -0.04060366 -0.11471628 0.01634079 -0.00774039 -0.00711859 +H 8.84017604 7.41596960 4.53514381 -0.01525077 0.00864004 0.00332398 -0.09302151 0.15739807 0.05054263 -0.00627156 0.03480155 0.00003311 +H 9.45059321 8.19321768 6.12681206 -0.01729408 -0.00481627 0.01906610 -0.14485118 -0.12727071 0.06918518 0.00757805 -0.00239494 0.02075131 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96731291 5.79764815 5.79858071 -0.00198333 0.00213217 -0.00093959 -0.02427519 0.03067484 -0.00441041 -0.00525064 0.00331473 -0.00128861 +C 2.26921676 6.18720456 5.84441913 -0.00800885 0.00061968 0.00030919 -0.01912004 -0.01177354 0.00404355 0.00435664 -0.00350606 0.00127966 +H 0.77320581 4.89753518 5.66865868 0.00615313 0.02583897 -0.02230045 0.05424941 0.01781002 -0.19266034 0.01204653 0.02476446 -0.02027545 +C 2.65911922 7.41792273 6.36377193 0.00889657 -0.00094504 0.00438034 0.00526182 -0.01977567 0.03713805 -0.00391148 -0.00689112 0.00455625 +H 2.97425605 4.29470074 5.07559119 -0.01343035 -0.00510819 -0.03718347 -0.02405532 0.11464564 -0.13704373 0.00776809 0.02017623 -0.00221565 +C 3.99077844 7.67518649 6.53702067 0.00277716 -0.00262017 -0.00451203 0.04771226 0.00729869 -0.03369884 0.00768583 0.00150175 -0.00524948 +H 1.87561074 8.11285727 6.72518545 -0.02956181 -0.01106915 0.00760966 0.01795877 -0.11330801 -0.00093625 0.00837861 0.00584297 0.00836609 +C 5.03445809 6.84607741 6.05414505 -0.00057944 -0.00744454 -0.00646180 -0.00708569 -0.03780746 -0.04698014 -0.00028696 0.00050107 -0.00526654 +H 4.22366445 8.69470719 6.90411878 -0.00129809 -0.00532748 0.01577713 0.03194041 -0.10904178 0.10698366 0.01876596 0.00029261 0.01857380 +C 4.67999169 5.55271606 5.47751231 0.00521606 -0.00187968 0.00381402 -0.00300443 0.00819932 0.04115055 -0.00534443 0.00071057 0.00631662 +N 6.30204616 7.44985225 6.03797525 -0.00207186 -0.00115315 -0.00490311 -0.01966325 -0.00271457 -0.02658371 -0.00172277 -0.00084034 -0.00281509 +C 3.25738270 5.26561585 5.44930710 0.00133805 0.00065544 0.00649537 0.02591614 -0.01601855 0.02225662 0.00372635 -0.00289670 -0.00009159 +H 5.41488167 4.86715267 5.07551482 -0.00140152 -0.00227588 0.01104193 -0.00802378 -0.02549686 0.06364657 -0.00371085 0.00134760 0.00795353 +C 7.47911497 6.90914271 5.85095812 -0.00171293 -0.00068014 0.00319973 0.03155813 -0.01993621 0.01769913 0.00672218 0.00036808 0.00208269 +H 6.36075080 8.41004824 6.25628504 0.00728830 0.01137182 0.00665330 -0.03319038 -0.00393198 0.00569512 -0.01735822 -0.01516946 -0.00681491 +O 7.60313678 5.64569526 5.70557132 -0.00010255 0.00940736 0.00118589 0.00775381 0.07999035 0.00868092 0.00285308 0.00974001 0.00093656 +C 8.78066567 7.86339011 5.86313336 0.00191442 -0.00246629 -0.00154131 -0.02452346 -0.03459748 -0.00491296 -0.00969608 -0.00713003 -0.00155376 +H 9.36635385 7.81213773 6.83560832 -0.01232177 -0.00402077 0.01625089 -0.16864278 -0.04742589 -0.02470874 -0.01234332 -0.01247321 0.00740674 +H 9.46608975 7.53857480 5.07636814 0.00636591 -0.02298209 -0.01365886 -0.04585712 -0.03617728 0.00315010 -0.01156725 0.01032812 0.01110758 +H 8.42731863 8.87940386 5.71739049 -0.01715947 0.02232517 0.01231044 0.03528844 -0.03339299 0.04023623 0.02126303 -0.02399044 -0.00410740 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98777163 5.80107699 5.59298498 -0.00927286 -0.00283844 0.00183935 -0.04480778 -0.01113841 0.02024917 -0.00366146 -0.00206481 0.00360772 +C 2.30167784 6.10829484 5.85212212 0.00157670 0.00175033 -0.00000585 -0.01393566 0.02021666 0.00202370 -0.00420737 0.00211057 -0.00019379 +H 0.92698376 4.87766915 5.40612731 -0.02705970 0.02167977 0.00967098 -0.22556841 -0.02181404 0.01965420 -0.02330579 0.00913524 0.00435833 +C 2.61056021 7.39599072 6.28461910 -0.00519730 0.00442593 -0.00353575 0.01199464 0.02628392 -0.03713444 0.00042350 0.00564208 -0.00625432 +H 3.12471057 4.15593354 5.53446539 -0.00305932 -0.00835895 -0.00213218 0.02266219 0.06629098 -0.05144449 0.00628529 0.00597993 -0.01533560 +C 4.00773588 7.79172736 6.36133324 0.00217710 -0.00771201 -0.00194067 -0.04908966 -0.01308134 0.00606058 -0.00929755 0.00402848 0.00429613 +H 1.90873640 8.12462661 6.42251052 0.00163608 -0.02392834 -0.00896808 -0.17884471 0.01379832 -0.01462660 0.00515702 -0.01233623 -0.00306536 +C 5.00963221 6.90930500 6.15574095 0.00651679 0.00187987 0.00432588 0.05291109 -0.01397892 0.02217528 0.00384368 -0.00504799 0.00175675 +H 4.10429614 8.82514772 6.56514638 0.00207557 0.00059068 0.03325167 0.10976949 -0.07193271 0.17073041 0.01595381 -0.02532972 0.00840580 +C 4.66341940 5.56260706 5.93071811 0.00343007 -0.00266140 -0.00039219 0.05840178 -0.00626975 -0.01172387 0.01339874 -0.00048845 -0.00287575 +N 6.30511626 7.43161945 6.22358556 -0.00005264 0.00041531 -0.00202058 0.00508665 -0.00818672 -0.01383583 0.00278318 0.00168464 0.00019938 +C 3.33912276 5.20070592 5.73547221 0.00945088 0.00836905 -0.00317789 0.03791896 0.01359457 -0.02472838 0.00061776 -0.00170704 -0.00340079 +H 5.42175787 4.85636586 5.76284732 0.01428429 -0.00778669 0.00106389 0.04848844 -0.07363277 0.04618891 -0.01006086 0.00047685 0.01125039 +C 7.46870528 6.86053281 5.76954189 -0.00088689 0.00536228 0.00293127 0.00545183 0.05983257 0.03533725 0.00172738 0.00441191 0.00320505 +H 6.25490638 8.31908371 6.61086742 -0.00695333 0.00067180 -0.00821758 0.11639085 0.05407701 -0.03037111 0.02975648 -0.01891600 -0.01317781 +O 7.53063656 5.86545218 5.11381426 0.00131935 -0.00267132 -0.00026712 0.01024180 -0.02337491 -0.00097359 0.00158905 -0.00113311 0.00182141 +C 8.80004771 7.67012708 6.08195101 -0.00287367 0.00093986 0.00237852 -0.04515851 -0.01509575 0.00344984 -0.00802072 -0.00393459 -0.00415707 +H 9.39670343 7.32961373 6.96145941 0.01484091 0.00423611 -0.01039380 0.01946843 -0.01790177 -0.09663033 -0.00283722 -0.01326309 -0.00059701 +H 9.36719579 7.58906770 5.19407769 -0.02480186 -0.02970456 -0.01070023 -0.06901832 -0.12435349 -0.05817255 -0.00797237 0.00169556 0.01443597 +H 8.55591875 8.73854318 6.23770885 -0.01312063 -0.02292497 -0.00740246 -0.06240331 -0.01496780 -0.04491420 -0.00071091 0.02014859 -0.00437425 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.06117399 5.74197866 5.71207595 0.00244255 0.00146423 0.00116990 0.02459289 0.01050601 0.01719011 0.00271774 0.00280486 0.00180770 +C 2.37988623 6.05231569 5.93949218 0.00165193 0.00283365 0.00031883 0.00647584 -0.00747156 0.01531452 -0.00013675 -0.00517826 0.00368130 +H 0.68380299 6.28559352 5.05426889 0.00831969 -0.01262172 0.01744849 -0.02648892 0.00373208 -0.01508364 0.00380680 -0.00974898 0.00837177 +C 3.05645699 5.37828580 6.99641626 -0.00423311 -0.00646664 0.00233335 -0.02907915 -0.03207772 -0.00360626 -0.00269071 -0.00313154 -0.00169428 +H 2.48937187 7.50038286 4.28472459 -0.01709619 -0.00783730 0.00814331 0.02088348 -0.13108683 0.08696603 -0.00882285 0.00026801 -0.02835391 +C 4.42339920 5.55893180 7.16968185 0.00320600 0.00510986 -0.00363762 0.00567446 0.03879740 -0.03873351 -0.00140681 0.00441725 -0.00616564 +H 2.52911510 4.67992218 7.59627172 -0.00862786 -0.00188178 -0.00178767 -0.06690400 -0.03631133 0.03134867 0.00194309 0.00357362 -0.00158630 +C 5.07800883 6.46397695 6.26745889 -0.00487014 0.00594161 -0.00165315 -0.00255614 0.02742920 -0.00199562 0.00280132 0.00306734 -0.00027271 +H 4.82588157 4.94952051 7.96799659 0.02487263 0.00794084 -0.02313308 0.26672623 0.11152556 -0.13985430 0.03066767 0.02306653 -0.01805528 +C 4.39104343 7.12264089 5.23318431 -0.00142570 0.00514726 0.00168471 0.01175292 0.05636224 0.01028656 0.00328428 0.00863631 0.00172136 +N 6.45000800 6.66942803 6.46597329 -0.00629204 -0.00290376 0.00076372 -0.03770476 0.00032558 0.00797079 -0.00240185 0.00336497 0.00183513 +C 3.07367459 6.92525506 5.08229340 0.00907480 -0.00856674 -0.00102166 -0.00341712 -0.05487012 -0.01661488 -0.00555819 -0.00821810 -0.00006375 +H 4.76718074 7.91307362 4.59528840 0.01107372 0.00876546 -0.01279386 0.10947836 -0.06169657 -0.01393754 0.01552994 -0.01175332 0.00126323 +C 7.33935812 7.27549750 5.64690912 0.00168519 0.00550547 -0.00151070 0.01048027 0.02125193 0.00647928 -0.00032467 -0.00125000 0.00409735 +H 6.71334072 6.49996567 7.41330781 -0.03999021 -0.01882622 0.00193077 -0.10176057 -0.12561552 0.01481858 0.01288378 -0.01054832 -0.01097121 +O 7.08708013 7.43709373 4.46799598 -0.00091765 -0.00072486 0.00157050 0.00136054 0.00242150 -0.00084017 0.00172332 0.00158279 -0.00163319 +C 8.74355836 7.73651401 6.16193786 0.00235524 -0.00628567 0.00199428 0.01989711 -0.06426140 0.00982921 0.00121142 -0.00639735 0.00046626 +H 9.42649072 8.11976804 5.43703035 0.00134359 0.01343809 -0.00499966 -0.12227473 0.09747550 -0.05698296 -0.03668678 -0.00148867 0.00225170 +H 8.76366023 8.36333970 7.01438925 -0.01992134 0.02228431 -0.02157267 -0.16901350 0.13384280 -0.09414362 -0.01758763 -0.01236855 -0.02155485 +H 9.32819488 6.83672840 6.43832349 0.01455251 -0.02100097 0.00043392 -0.02776080 -0.02474627 0.04348235 -0.00524382 -0.00142713 0.01927467 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.10368278 5.70409355 5.71667737 0.00153352 -0.00269059 -0.00176852 -0.01764058 -0.02070030 -0.01520455 -0.00511780 -0.00082108 -0.00164275 +C 2.34473949 6.14348993 5.83297251 -0.00006237 -0.00460130 -0.00774238 0.01101548 -0.00432920 -0.03914225 0.00250427 0.00449519 -0.00196070 +H 0.94830889 4.85401639 5.25919946 0.00677600 -0.01256603 -0.00356880 0.10443970 -0.01134956 0.02148409 0.01383243 -0.02546594 -0.00803001 +C 2.64712332 7.42530484 6.34206229 0.00787574 0.00566867 0.00653609 0.02811460 0.00755893 0.02669061 -0.00045512 -0.00525992 -0.00036790 +H 3.11663175 4.19748970 5.24371225 -0.01398129 0.01829822 -0.00612387 -0.08304025 0.03800117 -0.12047362 -0.00392660 -0.01229307 -0.01956998 +C 3.94728014 7.84773476 6.44617399 0.00671956 0.00106053 0.00362804 0.04318210 0.02256711 0.03475508 0.00462273 0.00585430 0.00617105 +H 1.89992881 8.16473061 6.68966267 0.00447092 -0.02263801 -0.01850396 -0.10000046 -0.09724205 -0.11180351 -0.02688598 0.00391298 -0.00663577 +C 4.98000701 6.97539976 6.16526532 -0.00438554 0.00778947 0.00209613 0.00590214 -0.00253760 -0.00123088 0.00601820 -0.00719652 -0.00245159 +H 4.14567009 8.83453953 6.82186242 0.00598766 -0.00773677 -0.00583515 0.06454519 0.05944164 -0.02126332 0.01003114 0.01469180 -0.00143981 +C 4.67176124 5.60417951 5.79041772 -0.00705989 -0.00500372 -0.00422916 -0.03573871 0.01234731 -0.02768633 0.00122834 0.00665375 -0.00173432 +N 6.29594628 7.46108879 6.26231261 -0.00007796 0.00945061 0.00156050 0.00794727 0.03700292 -0.00672120 0.00043830 -0.00151013 -0.00384926 +C 3.33847666 5.24318912 5.49042784 -0.00350828 -0.00457580 0.00282882 -0.00645430 -0.03298311 0.03548711 0.00036548 -0.00440999 0.00547700 +H 5.38817881 4.88226508 5.52516847 0.01771577 0.01305937 0.04276852 0.08119850 0.00557268 0.27686078 -0.02377976 0.00436721 0.02617232 +C 7.47289461 6.84979108 5.81955859 -0.00196947 -0.00509472 -0.00613689 -0.05570045 -0.00848263 -0.03122345 -0.01021868 0.00553894 -0.00125295 +H 6.34900326 8.45632663 6.54718445 -0.02193339 0.00499902 0.01539809 -0.02119788 -0.03507416 0.11431939 0.02061414 0.00426102 0.02044845 +O 7.48459022 5.73451917 5.24174475 -0.00024684 0.00082087 0.00089291 0.00666765 0.01299261 0.01028383 0.00145551 0.00168534 0.00132257 +C 8.72097274 7.66967134 5.95797340 0.00067599 -0.00345580 0.00105686 0.00838849 -0.02804699 0.01416458 -0.00082633 -0.00476551 0.00088865 +H 8.60620175 8.28957574 6.88140433 0.00530208 0.01560415 -0.00223900 0.11044929 0.06839781 -0.12126703 0.02063539 0.01221362 -0.00852267 +H 9.62744453 7.01296298 6.05821917 -0.00366607 0.00401688 -0.01819229 -0.03434627 -0.01096806 -0.04269887 0.01240572 -0.01945529 0.00807201 +H 8.92821649 8.23981827 5.03112909 0.00041551 -0.01682495 0.01189401 -0.04294339 -0.00461395 0.03556176 -0.00948287 0.01418855 -0.00875283 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99417622 5.67412223 5.89055696 0.00238993 0.00340687 -0.00013222 0.01555061 0.01530602 0.00290566 0.00081221 0.00195574 -0.00146406 +C 2.33602791 5.86781385 5.85062019 -0.00030656 0.00102008 -0.00057785 0.01764105 0.01902082 0.01884328 0.00572010 0.00387212 0.00658509 +H 0.50337506 5.92789259 5.14233698 0.01762285 0.00458696 0.01725444 0.05461525 0.10060929 -0.04065615 0.01779941 0.00882231 0.00913943 +C 3.06861900 5.47280940 6.99225059 0.01111947 -0.00245680 0.00702403 0.02112873 -0.02694515 0.03700648 -0.00378657 -0.00307801 0.00032891 +H 2.48920334 7.12870976 4.01123834 -0.02807044 -0.01200875 0.00472113 -0.17129828 -0.10415783 0.03758544 -0.00979601 -0.01126650 0.00126288 +C 4.36594536 5.85042489 7.23522447 -0.00024739 0.00109764 -0.00564419 0.02386598 0.00412583 -0.03057005 0.00830119 -0.00133504 0.00021326 +H 2.56036854 4.89153184 7.78567059 0.01119170 -0.01794818 0.01435056 0.10770346 -0.03782957 -0.00381445 0.00354672 -0.00877216 0.00728236 +C 5.07906834 6.56904167 6.23269546 -0.00218572 -0.00065141 -0.00009560 -0.00779929 -0.01904439 0.00100573 -0.00170317 -0.00315570 -0.00290159 +H 4.67771456 5.47688951 8.15761370 0.01777687 -0.00104185 0.00399918 0.24168404 0.07237845 -0.05832446 0.03108971 0.02372306 -0.03667766 +C 4.37447994 6.91389802 5.06294561 -0.00485176 -0.00313101 -0.00356548 -0.04581508 -0.00797794 -0.01733411 -0.00442894 0.00272329 -0.00230287 +N 6.47627464 6.70777704 6.45168161 -0.00181405 0.00123891 -0.00125676 -0.04251035 0.01745252 -0.01734077 -0.00962622 0.00243696 -0.00234329 +C 2.96460188 6.67434398 4.88042118 -0.00183233 0.00293006 -0.00672976 0.00082835 0.00366364 -0.02795709 -0.00109656 -0.00340849 0.00020161 +H 4.88264696 7.51718560 4.33790670 -0.02937636 -0.00761190 0.02740328 -0.05844256 0.05408483 -0.05676792 0.00178792 0.00516567 -0.02307429 +C 7.38870862 7.37653587 5.66516015 -0.00925892 -0.00641896 -0.00237785 -0.03671567 -0.06166122 0.02346884 0.00093604 -0.00626848 0.00448752 +H 6.71454589 6.30952027 7.33602745 -0.00972998 -0.00448519 0.01210740 0.07290168 0.01004746 -0.06494204 0.02272511 0.00567527 -0.02686319 +O 7.20401727 8.09756305 4.74483001 0.00821198 0.00273818 -0.00031419 0.03477779 0.02552221 -0.01845553 0.00154222 0.00255818 -0.00279967 +C 8.81432974 7.16270073 6.05401768 -0.00149034 0.00079504 0.00541373 0.00247751 0.00672686 0.03391157 -0.00075372 0.00071259 0.00620531 +H 9.36871996 6.91019598 5.11064170 -0.02467919 -0.00448941 -0.00715859 -0.13315034 -0.04248805 0.04009722 0.00557788 -0.01004030 -0.00029840 +H 9.24839276 8.12459989 6.34419888 -0.00381148 0.00427369 0.01788923 -0.04470811 -0.01893622 0.12479354 -0.00528796 -0.00249325 0.01137143 +H 9.03505960 6.38090643 6.78999695 0.01388881 0.00518441 0.01206541 0.01319935 0.05392430 0.05253970 -0.00904018 0.00209197 0.00536693 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99931062 5.68338085 5.60714948 0.00898004 0.00508586 0.00204185 0.04206356 0.03738659 0.01712494 0.00243053 0.00741865 0.00330594 +C 2.25112475 6.14671349 5.87405940 -0.00476079 0.00647533 0.00178994 0.01146586 0.01316378 0.00322328 0.00875230 -0.00309756 -0.00097402 +H 0.91824778 4.73632868 5.37872403 0.01273924 0.00042587 -0.01501842 0.13337510 0.10354260 -0.08373525 0.02000089 -0.00814449 -0.01976227 +C 2.56655475 7.47386106 6.29587748 -0.00283953 -0.00674026 -0.00214656 0.00775694 -0.02841620 -0.02133221 0.00273150 -0.00004303 -0.00244789 +H 3.18522993 4.18385445 5.31198560 0.00013578 0.01078083 -0.01164642 -0.07719946 0.08815708 -0.04130873 -0.01796051 0.00131724 -0.00098087 +C 3.96190627 7.91860092 6.31839632 -0.00119344 -0.00682795 -0.00169554 -0.02830363 -0.07114866 0.00064993 -0.00600873 -0.00734551 0.00282150 +H 1.78025909 8.16281597 6.47416999 0.00456944 -0.00755316 0.01623207 0.00223313 -0.02180193 0.10140503 0.00905309 -0.00975444 0.00327631 +C 5.00828644 6.95723902 6.10478371 -0.00154392 -0.00178890 -0.00006683 -0.00293411 0.00609177 0.01519870 0.00137778 0.00196163 0.00372327 +H 4.28917640 8.84862906 6.62767072 -0.01597861 0.00427230 -0.00011963 -0.18707686 0.05753724 -0.03847443 -0.03596815 -0.02752270 -0.01838344 +C 4.63676730 5.61447933 5.82904060 -0.00039683 0.00212415 -0.00090175 0.01098906 0.01808392 -0.01357393 0.00395791 0.00127368 -0.00257539 +N 6.35745751 7.41677338 6.27589109 -0.00201542 0.00096492 0.00127717 -0.00712453 -0.01857489 -0.01984285 -0.00126862 -0.00467950 -0.00610390 +C 3.30684528 5.22518603 5.64376450 0.00364929 0.00249273 0.00110301 0.01027197 0.03055315 0.00936152 -0.00127476 0.00671837 0.00116035 +H 5.39815439 4.89384732 5.63200716 -0.01654560 -0.00906646 0.00714852 -0.04142750 -0.08611698 0.05864437 0.00048250 -0.00024679 0.00816800 +C 7.52891715 6.84097574 5.81039311 -0.00465645 -0.00307115 -0.00454393 -0.06581735 -0.01439539 -0.01629622 -0.00996721 0.00026204 0.00016981 +H 6.52230202 8.35440770 6.59988632 0.02947993 -0.00788640 -0.01089491 0.05872819 -0.01081682 -0.03786005 -0.01769131 -0.00434572 -0.00224929 +O 7.63648609 5.66363300 5.42852472 0.00738221 0.00343581 0.00340841 0.04741204 0.02423582 0.02008047 0.00535508 0.00216969 0.00195307 +C 8.71205135 7.73911821 5.85722424 -0.00738152 -0.00308503 -0.00179196 -0.02766214 -0.01795705 0.03315342 -0.00240462 -0.00148392 0.00533679 +H 9.08457658 7.58818092 6.88074224 -0.00142127 -0.01005220 0.05071323 -0.02227053 -0.02568146 -0.05568529 0.00862977 0.00445252 -0.03080417 +H 9.49154724 7.55040477 5.14356843 -0.01884747 0.00881275 -0.01152964 -0.09894291 -0.03421169 -0.08608314 -0.01741115 -0.01851940 0.00443875 +H 8.50677645 8.80980909 5.91109355 0.00203771 -0.01422363 -0.03079139 -0.08488213 -0.02766922 -0.25543428 -0.02128951 -0.00349336 -0.02832031 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02210611 5.89503678 5.83055191 -0.00232344 0.00492355 -0.00298251 -0.01636594 0.03355127 -0.02091746 -0.00077832 0.00248841 -0.00237742 +C 2.35939047 5.91236185 5.84801431 0.00648081 0.00060410 0.00015226 0.03286974 0.00799293 0.01988940 0.00000339 0.00138552 0.00544992 +H 0.74539711 6.80227000 5.56971905 -0.01829114 0.01348740 0.04315755 -0.16077250 -0.01426821 0.32306577 -0.02948186 0.00925897 0.04288722 +C 3.11904217 4.86730792 6.47578475 -0.00228409 -0.00640598 0.00623138 0.00469247 -0.01733644 0.02749039 0.00313146 0.00194001 0.00029484 +H 2.46909352 7.98131260 5.09361187 -0.01948061 -0.00812361 0.00357318 -0.19254623 -0.02795513 -0.03938220 -0.00536089 -0.02708906 -0.00342613 +C 4.53952706 5.06240463 6.51767106 0.00123624 0.00242027 -0.00592042 0.00709156 -0.01163164 -0.03595994 0.00030760 -0.00509455 -0.00320776 +H 2.71999248 3.99503391 6.95994837 -0.01898735 -0.02090699 0.00404631 -0.10997988 -0.01921074 -0.09609036 -0.00481474 0.01555468 -0.02463486 +C 5.16064349 6.23672141 6.00987833 -0.00013804 -0.00532751 0.00143068 0.00886575 -0.02694361 0.00526609 0.00251523 -0.00046999 -0.00095475 +H 5.16521531 4.22476625 6.84890819 0.02993424 0.01601421 0.00380175 0.08569111 0.16657039 0.06295915 0.00066948 0.00888780 0.01662271 +C 4.35025262 7.23773900 5.50286897 0.00300172 -0.00507029 0.00180382 0.00335037 -0.02156393 0.00492237 -0.00222274 0.00017877 -0.00155301 +N 6.54801490 6.42093962 6.05571495 0.00221848 0.00258150 -0.00320718 0.00828113 0.01598194 -0.01363589 -0.00098376 0.00096739 -0.00021842 +C 2.96794056 7.13426398 5.43761576 -0.00529052 0.00390004 -0.00370077 -0.02105070 -0.00204817 -0.01624753 -0.00148224 -0.00206259 -0.00151968 +H 4.77270366 8.14355772 5.17609933 0.02014437 -0.02315261 -0.00522712 0.02623213 -0.03855200 -0.09767502 -0.02219597 -0.00106641 -0.01452269 +C 7.31230751 7.52641311 5.82451755 -0.00211851 0.00497735 0.00983858 -0.02053336 0.01840215 0.04942325 -0.00191695 0.00114568 0.00325162 +H 7.10450896 5.62242288 6.36815662 -0.00882716 0.00036675 -0.01536949 -0.03771130 -0.02277973 -0.07509823 0.00579988 -0.00862731 -0.00392959 +O 6.93702521 8.59014376 5.32936618 -0.00407305 -0.00151268 -0.00601723 -0.01920679 -0.01121696 -0.03342652 -0.00120506 -0.00186036 -0.00307017 +C 8.75047230 7.29636526 6.14094868 0.00337751 0.00189067 0.00429339 0.03439347 0.01960954 0.02226203 0.00628690 0.00234636 0.00580765 +H 9.15777831 6.47856279 5.54515553 0.01795292 -0.00209019 -0.00339676 0.08698221 0.06229244 0.02980967 0.00333403 0.01631437 0.00159633 +H 9.31298398 8.21247059 6.01794086 0.00971581 -0.00008685 0.00576600 0.07077349 0.00565034 -0.02250500 0.00582578 -0.00065671 -0.00304876 +H 8.81619064 7.18612727 7.18100157 0.00771418 -0.02963524 -0.01729678 0.08890340 -0.28891644 0.04889018 0.01246097 -0.02847118 -0.01223259 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01519984 5.73217056 5.95345619 -0.00320469 -0.00096501 0.00430732 -0.02525511 -0.00684918 0.02488904 -0.00319618 -0.00083755 0.00270138 +C 2.30498890 6.15746914 5.89585947 -0.00006354 0.00751945 -0.00220066 -0.01384832 -0.00484636 -0.02303873 -0.00329580 -0.01024558 -0.00477670 +H 0.82791917 4.85615732 5.73450314 0.00183492 -0.01683269 -0.01142863 0.07443201 0.00610955 -0.05062636 0.01433595 0.01307368 -0.00412992 +C 2.64647701 7.41320270 6.33701306 -0.00345051 -0.00839721 0.00080259 -0.02368136 -0.01624394 0.01403613 -0.00231443 0.00478980 0.00348520 +H 2.98531974 4.34073892 5.04077687 0.01821242 -0.00090475 -0.01615823 0.12310880 -0.08782066 -0.04633333 0.01625584 -0.00951580 0.00906214 +C 3.96308736 7.78004147 6.36133964 -0.00339642 0.00845549 -0.00208595 0.00558333 0.05880089 -0.02270015 0.00148317 0.00431943 -0.00444150 +H 1.93824077 8.16975432 6.59315158 0.00137546 -0.01048813 0.01445690 -0.09559973 -0.10645850 0.11607488 -0.01931542 -0.02245761 0.01465739 +C 4.98789078 6.85705041 6.02563220 -0.00395464 0.00105322 -0.00210602 -0.00479703 0.04952245 -0.00413815 0.00321655 0.01221490 0.00057385 +H 4.26799984 8.84843862 6.54617538 -0.00379570 0.01596418 0.00322911 -0.10465147 -0.02370624 0.09081782 -0.01083262 0.01552242 0.02727549 +C 4.68420609 5.57750597 5.58051180 -0.00490435 0.00725553 0.00566771 -0.04126084 0.03128293 0.03340893 -0.00332934 0.00104086 0.00305753 +N 6.29400712 7.34761842 6.16429395 0.00429315 -0.00617279 -0.00166144 0.04030077 -0.02692196 -0.00463403 0.00416285 -0.00135400 0.00075334 +C 3.29157627 5.26316296 5.48090338 0.00224524 -0.00538115 -0.00496341 0.02237570 -0.02968359 -0.03765946 0.00138250 -0.00258360 -0.00545417 +H 5.44838275 4.92023594 5.34683587 0.02489620 0.00533908 0.00744231 -0.00379113 0.02220831 0.02509557 -0.04000360 0.01258170 0.00560826 +C 7.52246344 6.86333588 5.80244804 0.00410682 0.00305958 -0.00026241 -0.01274553 0.02985532 0.00669353 -0.00420611 0.00051092 -0.00123813 +H 6.39129373 8.30138544 6.51534696 0.02638004 0.00039443 -0.00345438 0.07570748 -0.08493574 0.03370239 -0.00343466 -0.00323801 0.02090792 +O 7.56480313 5.97041699 5.03723781 0.00037432 -0.00408930 -0.00088143 0.02417116 -0.04504611 -0.01590982 0.00607936 -0.00653052 -0.00195146 +C 8.73815791 7.62283125 6.34309905 -0.00055941 -0.00105484 0.00689160 0.00959384 -0.00317157 0.01728506 0.00166916 0.00196938 -0.00307210 +H 8.50031951 8.67872096 6.36181784 0.00866062 -0.00671783 -0.03023883 0.01029222 0.01514676 -0.04425015 -0.00461029 0.00240397 0.02471392 +H 9.05796022 7.28409415 7.36475869 0.01361114 -0.01104213 -0.00299529 0.07826894 -0.04031173 -0.07215588 0.01235549 -0.00432100 0.00322987 +H 9.54490620 7.59257050 5.61046304 0.01297156 0.04122020 -0.01291622 -0.00017231 0.12110221 0.06154446 -0.00408284 -0.01146831 0.01769546 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04307454 5.55572170 5.77529983 0.00601497 -0.00186820 0.00109410 0.04080908 -0.00409497 -0.00183135 0.00514149 -0.00043257 0.00002623 +C 2.34796346 5.98924706 5.93609546 0.00258423 -0.00497609 0.00582694 0.00677557 -0.02540844 -0.00164696 0.00006924 -0.00145840 -0.00856169 +H 0.66501010 5.88710446 4.98504846 -0.02350277 0.00603560 -0.00838797 -0.06083891 -0.03253249 0.07610317 -0.00269777 -0.00367376 0.00652126 +C 2.88931159 5.89955393 7.24129667 -0.00762950 0.00038861 -0.00568742 -0.02590919 0.02439238 -0.02495638 0.00108095 0.00721087 -0.00225196 +H 2.70644690 6.51714238 3.81352793 -0.00442472 0.01711660 -0.02264737 -0.01476602 0.11478272 0.00823466 -0.00345434 0.01007552 0.01365698 +C 4.22657739 6.36157347 7.37532034 -0.00119001 -0.00210163 -0.00021896 -0.02062803 -0.01717107 0.00041676 -0.00182399 -0.00225643 0.00403065 +H 2.35169617 5.58379880 8.14611257 -0.03229920 0.03773475 0.02054329 -0.13667240 0.22638323 -0.11723111 -0.01498955 0.01546666 -0.02871725 +C 5.03950243 6.76178132 6.28699475 0.00312251 -0.00042694 0.00250413 0.02991802 -0.00621689 0.01885271 0.00254242 -0.00215789 0.00293532 +H 4.58266573 6.39311685 8.33616535 -0.00857971 0.00047270 -0.00200357 0.02653035 -0.01801378 0.08136785 -0.00396119 -0.00618774 -0.01830173 +C 4.49842657 6.79273602 4.96095235 -0.00067134 0.00189435 0.00555346 -0.03686759 0.01148798 0.05061510 -0.00646725 0.00225784 0.00412853 +N 6.39960945 7.08369039 6.57557515 -0.00038810 -0.00031885 0.00119709 0.00039782 0.00867159 -0.00578115 0.00024294 0.00275417 -0.00348940 +C 3.11172812 6.51629720 4.82267169 -0.00099562 0.00024737 -0.00716202 -0.01367500 -0.02611325 -0.02487015 -0.00267804 -0.00722779 0.00254110 +H 4.98312492 7.04766550 4.09783729 -0.01292345 -0.00713207 -0.00597920 0.01649279 0.01314388 -0.02575131 -0.00729602 0.00215052 0.03849217 +C 7.39621690 7.14866017 5.64806547 -0.00392333 0.00694779 0.00252615 -0.01064625 0.03279482 -0.01002547 0.00193171 0.00227672 -0.00454535 +H 6.72358938 7.35362997 7.50189571 -0.00184836 0.02338260 0.00797592 -0.12722675 0.05196085 -0.01617973 -0.02132985 -0.00308224 0.00314009 +O 7.27397596 6.89412345 4.41590058 -0.00244238 -0.00060649 -0.00047689 -0.01699259 0.00196038 0.02307427 -0.00251406 0.00114384 0.00618395 +C 8.81673375 7.50471849 6.11672738 0.00933330 -0.00608761 -0.00520425 0.03642024 -0.02689077 -0.04185269 0.00397180 -0.00205522 -0.00291662 +H 9.38318939 6.62714143 6.20037743 -0.00841724 0.01005536 -0.00354940 0.07860662 -0.12967616 -0.05720647 0.00459635 -0.00595141 -0.01831346 +H 9.18994049 8.07985513 5.29061708 0.01651629 0.02296616 0.00300029 0.16282987 0.12586330 0.12355465 0.01863092 -0.00038677 0.03277117 +H 8.85033794 7.98244184 7.02957861 0.01665783 -0.01789979 0.00680351 0.08392552 -0.04381994 0.06905546 0.00178478 -0.01733530 -0.02404028 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.89008009 5.83786478 5.88812265 0.00405861 0.00301354 0.00836340 0.03198505 0.01446972 0.03698754 0.00446781 0.00164241 0.00488847 +C 2.24979918 6.08863585 5.93055705 -0.00091281 -0.00636652 0.00159611 -0.00448069 -0.04122713 0.03133826 0.00168445 -0.00545533 0.00375525 +H 0.64485626 5.55355203 5.00263627 -0.00398623 -0.01048028 -0.00660698 -0.02615978 -0.03181493 0.11966012 -0.01378352 -0.01291147 -0.00047543 +C 2.77926002 6.57639119 7.14383655 -0.00809141 0.00320522 -0.00930380 -0.03741942 0.03872205 -0.04821665 0.00126923 0.00787390 -0.00463255 +H 2.83090394 5.54292375 3.87953328 0.00452721 -0.01405821 -0.00989288 -0.00775639 -0.07021725 0.09260887 -0.01490876 -0.01601197 -0.00144716 +C 4.13808842 6.99494195 7.19449916 0.00047368 -0.00035837 -0.00317910 -0.01776537 -0.01898296 -0.02288907 -0.00441448 -0.00307437 0.00067732 +H 2.08617103 6.74332489 7.99942869 0.00650722 0.01220203 0.02735733 0.13074706 0.05869074 -0.03317632 0.00031699 0.00944343 -0.00892919 +C 5.10094311 6.71356551 6.16787349 0.00505286 -0.00048703 0.00244146 -0.01937356 -0.01069912 0.01573022 -0.00806761 -0.00280117 -0.00071824 +H 4.29505922 7.54173160 8.07136525 -0.00435471 -0.02001669 -0.01054029 0.16153896 -0.07682149 0.06098028 0.03082657 -0.02029366 -0.00825893 +C 4.57969744 6.10337524 4.99484655 0.00221147 0.00557806 -0.00202717 -0.01390423 0.05023773 -0.01671655 -0.00668687 0.00899305 -0.00082584 +N 6.34195865 7.19506958 6.39816792 0.00123265 -0.00364327 -0.01021878 0.04104504 -0.01200924 -0.06809655 0.00495926 0.00094840 -0.00594546 +C 3.15108538 5.88040209 4.89367407 -0.00061310 -0.00096739 0.00178045 0.02212353 -0.01909757 -0.02250093 0.00520230 -0.00346011 -0.00304023 +H 5.16729895 5.95266493 4.05962602 -0.01517090 0.02857283 -0.01808777 -0.04246364 0.15858181 0.01524108 0.01741222 0.01159015 0.00040579 +C 7.50321311 7.01331357 5.65904200 -0.00284418 -0.00050102 0.00359726 -0.02283467 0.00126316 0.03036333 0.00054130 -0.00092778 0.00094936 +H 6.47881864 7.74232949 7.21719074 -0.01416875 0.01238907 -0.01002423 -0.08315981 0.07035658 -0.11597700 -0.00102097 0.00608012 -0.02555368 +O 7.58889613 6.24038821 4.73875430 0.00154363 0.00020901 0.00142867 0.01116156 -0.00359818 0.00111198 0.00141055 -0.00062125 -0.00014513 +C 8.73668966 7.82615217 6.08503754 -0.00204098 -0.00372735 0.00094455 -0.01803012 -0.01070972 0.03073913 -0.00179905 -0.00268226 0.00803322 +H 9.59227590 7.70538011 5.41759202 -0.00687926 0.02799739 0.01629132 -0.01880956 0.10534823 -0.01567720 -0.00588840 0.00107567 -0.01362117 +H 8.52956168 8.95010939 6.08349080 0.00031260 0.01350404 0.02130978 -0.01779763 -0.13477485 0.18992834 -0.01681326 -0.00289178 0.03094359 +H 9.08585629 7.44243748 7.01821498 0.00776825 -0.00744517 0.02622505 -0.02052492 0.04001465 0.05359791 -0.01214176 0.01281225 -0.01575861 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92511176 5.78044908 5.77962303 -0.00230349 0.00471530 0.00052157 -0.02042503 0.02993142 0.00460343 -0.00298169 0.00434895 0.00111399 +C 2.25082624 6.11319921 5.90690994 -0.00885630 0.00422652 0.00402553 -0.01767193 0.04045405 0.02208213 0.00404991 0.00425782 0.00115710 +H 0.69981996 5.02990476 5.28933115 0.00023572 -0.00883997 -0.01670752 0.07952318 0.04454162 -0.03283258 0.01735518 0.01328332 0.00163306 +C 2.67903150 7.40062401 6.43593898 -0.00281725 0.00076386 0.00455396 -0.02756542 -0.03923217 0.03611441 -0.00442802 -0.00995664 0.00542573 +H 2.99292560 4.26119047 5.02655564 -0.00350575 0.02415679 0.02682002 -0.03164302 0.01642127 0.06935913 -0.00139818 -0.01506852 -0.00648930 +C 4.03574851 7.74002989 6.57184325 0.00220206 -0.01097408 -0.00406396 -0.02466432 -0.06754866 -0.03180452 -0.00809194 -0.00432644 -0.00262931 +H 1.93882882 8.02288828 6.98889942 0.01755791 -0.02101486 -0.00983724 -0.03330542 0.02658052 -0.07480020 -0.02773987 0.02866877 -0.00527907 +C 4.99112718 6.92145677 5.98161583 -0.00848620 -0.00030189 -0.00182018 0.00921322 -0.01786882 -0.01345403 0.01037795 -0.00623336 -0.00302164 +H 4.26531173 8.63757260 7.06203353 -0.01461801 -0.01921318 -0.01162520 0.00335210 -0.00720890 -0.01584337 0.00660182 -0.01216174 -0.00898480 +C 4.63379839 5.66501037 5.41772808 0.00717920 -0.00363990 -0.00447965 0.01264061 -0.01136624 -0.03230017 -0.00201233 -0.00064733 -0.00483055 +N 6.32941236 7.41194038 6.08217184 0.00125661 0.00159389 -0.00313494 -0.01909829 -0.00425765 -0.02801080 -0.00644377 0.00217005 -0.00368303 +C 3.26409451 5.24111626 5.44303135 0.00354013 0.00100537 0.00121950 0.02045999 0.03291023 0.01517943 -0.00014739 0.00800517 0.00316839 +H 5.33433886 5.11603110 4.81630382 -0.02238507 -0.01131466 -0.00619366 0.00235743 -0.15974971 0.04160238 0.01236500 -0.01710703 0.02566973 +C 7.52322051 6.82074626 5.90467490 -0.00380143 0.00125417 0.00433026 -0.00879229 0.03084907 0.01449916 0.00388014 0.00393459 -0.00168926 +H 6.46874667 8.33998834 6.24041085 -0.00580295 -0.00289569 -0.00712875 -0.10030687 0.08515406 -0.00260037 -0.02365216 -0.02884232 -0.00426759 +O 7.73026758 5.67042826 5.65036244 0.00558337 -0.00352200 0.00030177 0.03354820 -0.03254746 0.00512118 0.00336197 -0.00327939 0.00178004 +C 8.65197035 7.84204956 5.85647473 0.00742599 0.00724017 0.00169826 0.04865449 0.02816035 0.01226046 0.00236903 0.00053254 0.00398678 +H 8.79859208 8.38588205 6.79901024 -0.01679089 -0.00303267 0.00296810 -0.14154772 0.04261645 0.01222597 -0.01353020 0.01532138 -0.00013637 +H 9.62851652 7.25801830 5.76572424 0.00837488 0.01060502 -0.00568354 -0.00218055 0.13693181 -0.07498283 0.02513081 0.00626503 -0.00981058 +H 8.46517965 8.54172090 4.97964710 0.01047457 -0.00446566 -0.00722167 0.13458596 -0.04120228 0.04373620 0.01691013 0.01534054 -0.00576528 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00064741 5.84353498 5.83087384 0.00858372 0.00026518 0.00109266 0.04335642 -0.00605608 -0.00487922 0.00382241 -0.00103469 -0.00028680 +C 2.30728353 6.09581926 5.93110910 -0.00101984 0.00128662 0.00398069 0.02902186 0.01346605 -0.00386920 0.00797779 0.00211745 -0.00593663 +H 0.85930270 5.44034612 4.95121828 0.01005899 -0.00245826 -0.00474541 -0.00041777 0.02298386 0.03027888 -0.01433426 -0.00633833 -0.02140504 +C 2.86049733 6.22268568 7.22379401 -0.00585735 -0.00323698 -0.00557497 -0.02889477 -0.00484685 -0.01274969 -0.00141659 0.00262360 0.00367472 +H 2.81849470 6.08283653 3.72338919 0.02289232 -0.03390834 -0.00805391 0.09844525 -0.16208986 0.05520410 -0.00546315 -0.01257693 0.00176057 +C 4.21380413 6.50284449 7.41501142 -0.00345907 -0.00273314 0.00433095 -0.02253030 -0.02474682 0.02002150 -0.00147700 -0.00310391 0.00082294 +H 2.28270166 6.18053514 8.12441357 0.01278121 0.03358968 0.00767664 -0.04908783 0.11990449 -0.01526458 -0.02503905 -0.00314311 -0.01790763 +C 5.06050526 6.62169990 6.32743352 -0.00881800 0.00192992 -0.00166472 -0.01329524 0.01959265 -0.04833319 0.00559315 0.00382028 -0.00586362 +H 4.60636348 6.52689453 8.39252085 -0.00458495 0.01115625 -0.00129722 -0.02987441 0.12877425 0.06957836 -0.01363311 0.01740731 -0.00529749 +C 4.53731267 6.44978458 5.00041383 0.00891410 0.00532531 0.00319639 0.01745369 0.03335033 -0.00030561 -0.00556982 0.00309781 -0.00379739 +N 6.40830576 6.99029358 6.41847149 0.00712571 -0.00071999 0.00471193 0.01018202 -0.00984489 0.07200900 -0.00401010 -0.00200393 0.01415685 +C 3.16750118 6.21100025 4.77541879 0.00171103 0.00092933 -0.00542685 0.01199524 -0.00513559 0.00039950 0.00391398 -0.00217693 0.00703396 +H 5.06338011 6.58057367 4.04068927 -0.00079506 -0.01569556 -0.00929058 0.10389347 -0.10324862 0.09030978 0.03051028 -0.00964426 0.01519985 +C 7.43679507 7.04474121 5.61592682 0.00075167 -0.00101570 0.00051964 0.00495181 0.00096729 -0.00491672 -0.00089999 0.00079955 -0.00068552 +H 6.62767246 7.32475044 7.32560107 -0.01590833 -0.00476200 0.00960510 -0.02986825 -0.01401721 0.10604063 0.00674711 -0.00412742 0.00788659 +O 7.40133678 6.67692067 4.46437614 -0.00997517 0.00181248 -0.00008875 -0.06122519 0.00716712 -0.01192020 -0.00704863 0.00042062 -0.00306960 +C 8.64707131 7.77781388 6.15246895 0.00275854 -0.00302865 -0.00762979 0.00826727 -0.01095084 -0.04479321 0.00214648 -0.00030118 -0.00369384 +H 9.54021938 7.24624639 5.97398736 -0.01172889 0.00723125 0.00518967 0.09459581 -0.05105433 -0.00247540 0.00481410 0.00052677 -0.00703369 +H 8.72935744 8.71080029 5.60803907 -0.02939106 -0.00378684 0.02243423 -0.12912005 0.06339062 0.01686749 -0.00153898 0.00859712 -0.01002407 +H 8.56490233 8.13190367 7.14949809 -0.00045329 -0.00786434 -0.00440224 0.00050973 -0.14399943 0.04206176 0.00251676 -0.03504821 -0.00599530 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04178967 5.86256731 5.93485488 -0.00246332 0.00503412 0.00236845 -0.03743664 0.03102719 0.01883775 -0.00531881 0.00331961 0.00423536 +C 2.34791753 6.01943012 5.97110920 0.00585493 -0.00608310 -0.01097386 0.03689189 -0.05136000 -0.06531380 0.00176203 -0.00806225 -0.00674811 +H 0.53628362 6.14852500 5.14756777 -0.02376051 -0.00343817 0.01243544 -0.06762434 -0.00191021 0.06183078 -0.01065285 0.01129525 -0.01859582 +C 3.04410684 5.55071771 7.10232298 -0.00265629 -0.00454826 -0.00407485 0.00368232 -0.01939671 -0.03549690 0.00403850 -0.00163031 -0.00558576 +H 2.50481905 6.97689956 4.01359618 -0.00134440 -0.00816451 0.02169622 -0.09061037 -0.05019909 -0.01850784 -0.01219539 -0.00416282 -0.01828364 +C 4.41489239 5.79745846 7.14323460 0.00924339 -0.00492332 0.00941269 0.02673359 -0.04224253 0.08397306 -0.00387578 -0.00516619 0.01034523 +H 2.59219399 5.11288374 7.99408972 -0.01327188 0.00402174 -0.01704405 -0.16435229 -0.01347639 -0.13389130 -0.02527620 -0.00668622 -0.01780715 +C 5.06164576 6.45995295 6.11471620 -0.01007359 -0.00140851 0.00461094 0.00730249 -0.00568719 0.05247106 0.01002784 -0.00095410 0.00973835 +H 4.93622038 5.48808407 8.08110918 -0.00638284 0.00582764 0.02756517 -0.02697975 0.07250080 0.07463989 0.01183627 0.00350692 0.02023563 +C 4.41039091 6.77714503 4.91600292 0.00849125 0.00089856 0.00319303 0.03518540 0.00279863 0.01848020 0.00043893 -0.00010060 0.00191353 +N 6.43084292 6.75240163 6.44122968 -0.00528667 -0.00140673 0.00401088 -0.05038654 0.00244292 -0.00564544 -0.00667491 0.00217397 -0.00352912 +C 3.02958920 6.57080034 4.87355602 -0.00189333 0.00629873 -0.00146670 0.00618406 0.04942589 -0.00948609 0.00407665 0.00707688 -0.00208611 +H 4.93647555 7.20210891 4.08488338 0.00982836 -0.01269231 -0.00754977 0.03585111 -0.03681593 -0.01455159 -0.00025539 0.00146028 0.00954820 +C 7.38309758 7.33826875 5.67894853 -0.00281874 0.00900307 -0.00220606 -0.04709484 0.03592662 0.00453810 -0.00892643 0.00147980 0.00398150 +H 6.71429924 6.57277715 7.39586135 -0.01358208 -0.00571244 -0.01563796 -0.03809487 -0.10247585 -0.00521179 -0.00086468 -0.01601763 -0.00344996 +O 7.18380741 7.77109468 4.54980053 0.00473333 -0.00524110 -0.00124273 0.03314620 -0.03156971 -0.01775266 0.00414394 -0.00357390 -0.00413864 +C 8.72767140 7.39647577 6.30285322 -0.00025621 0.00570431 -0.00611799 0.01019768 0.05410589 -0.03549898 0.00287016 0.00628143 -0.00570116 +H 9.18247114 6.44669755 6.53874535 -0.01820167 -0.01316642 -0.00454018 -0.15174879 -0.02281788 -0.05612488 -0.02262045 0.01268109 -0.01470546 +H 9.32161863 7.92693932 5.56000866 0.00759347 0.00210032 -0.00664731 0.11849561 -0.02962326 0.00147115 0.02113135 -0.00995385 0.00467020 +H 8.62748875 8.09244302 7.19697325 0.02635396 -0.00482389 0.00695088 0.21099932 -0.12137696 -0.01127763 0.02623311 -0.00548258 0.01609713 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.88351978 5.70712422 5.94109737 -0.00384731 0.00340321 -0.00350647 0.00057489 0.02609964 -0.02338434 0.00415719 0.00471516 -0.00259699 +C 2.24781575 6.06671150 6.00674400 0.00355779 0.00891349 0.00296018 -0.00990703 0.04078264 0.00783023 -0.00503746 0.00191439 -0.00147708 +H 0.64990251 4.98525701 5.40968209 0.00030394 -0.01270483 -0.01986054 0.07894271 0.04217713 -0.05012270 0.01751167 0.01424374 -0.00222366 +C 2.67584390 7.11677207 6.83552069 0.00137133 0.00200609 0.00274276 0.00535061 0.02437003 0.02494054 0.00186945 0.00007371 -0.00033716 +H 2.84527321 4.72635709 4.44376651 0.01072813 0.00504325 0.00969694 0.08138588 -0.07731992 0.05143056 0.01172076 -0.02136674 0.00879691 +C 4.01485045 7.62819349 6.75270640 -0.00054016 -0.01244477 -0.00586055 -0.00906068 -0.08592292 -0.02230180 0.00019526 -0.00959029 0.00066636 +H 1.94199144 7.64191199 7.56127309 -0.01033433 -0.01745193 0.01571878 0.04386110 -0.15312006 -0.03178177 -0.01651076 0.00953054 0.01993993 +C 4.97949605 6.96621199 5.98698956 0.00422561 -0.00028951 -0.00388624 0.04256654 -0.01963610 -0.03840534 0.00444940 -0.00480570 -0.00567522 +H 4.34320840 8.46161453 7.35873568 -0.00735722 -0.02557830 -0.00347127 -0.07011971 -0.09992983 0.03132890 -0.00843693 -0.00580963 0.00862747 +C 4.59848209 5.85351838 5.20910148 0.00233003 0.00113927 0.00698889 -0.02773387 -0.00575400 0.02708630 -0.00616792 -0.00343744 -0.00121096 +N 6.32215867 7.40573301 6.03212581 -0.00030595 0.00165242 -0.00329265 -0.00657243 0.02161195 -0.01140885 0.00134792 0.00405442 -0.00006922 +C 3.19530324 5.44871089 5.17910545 -0.00066207 -0.00622914 0.00416081 0.02699227 -0.01981961 0.03425626 0.00540841 0.00050708 0.00604423 +H 5.25632257 5.38417126 4.51264285 -0.01083730 0.01255692 -0.00721986 0.01175406 0.03710635 0.00028334 0.00227147 -0.00047771 0.01616937 +C 7.52706431 6.90590556 5.71517500 0.00619003 0.00288833 0.00177074 0.05249456 -0.00368713 0.00174969 0.00333859 -0.00183104 -0.00060737 +H 6.35212060 8.28716830 6.50139994 -0.03201685 -0.00628382 0.00909149 -0.07765715 -0.01570039 0.07419073 0.01297363 -0.00345121 0.00620979 +O 7.76130320 5.85509725 5.03838134 -0.00446305 -0.00136393 -0.00027428 -0.04062137 0.01396354 0.01359906 -0.00611630 0.00433210 0.00355688 +C 8.79301573 7.65637975 6.31244879 -0.00288342 0.00264862 -0.00294861 -0.02210935 0.01205028 -0.02558530 -0.00185345 0.00343148 -0.00544570 +H 9.63068839 7.57971052 5.63098573 0.00378055 0.01684816 0.00767260 0.03385690 0.01003977 0.02747349 -0.00163191 -0.00884576 0.00028856 +H 8.68674853 8.73353527 6.31122822 0.01538904 -0.01968633 0.03154748 -0.05162379 0.02833254 0.21478103 -0.02857105 0.00793856 0.01976412 +H 9.09756077 7.32976779 7.35555984 0.00457360 0.00822377 -0.00804970 -0.02163093 -0.02124190 -0.11777739 -0.00320428 -0.02800431 0.00399031 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96854253 5.75959593 5.84544855 -0.00058031 0.00221329 0.00117518 0.01584544 0.01720656 0.00647194 0.00464072 0.00318699 0.00138272 +C 2.29621311 6.12695880 5.94592528 0.00039075 -0.00099454 0.00750258 0.00377841 -0.03005065 0.02327004 0.00211581 -0.00558794 -0.00030662 +H 0.99121791 5.01109323 5.21089589 0.03221234 0.01750036 -0.00195950 0.05549533 0.08074208 -0.03091585 -0.01803272 -0.00971503 -0.02027325 +C 2.68483991 7.16073839 6.75433423 0.00518243 -0.00126850 0.00031648 -0.01223117 -0.00058768 0.03034323 -0.01090112 0.00109428 0.00895413 +H 3.00129655 4.65508187 4.47590821 -0.02286803 -0.00008735 0.01997306 -0.09179224 -0.03422552 0.14531536 0.00122592 -0.01433173 0.00921805 +C 4.01565389 7.44173939 6.90221038 -0.00761895 -0.00276865 -0.00827205 -0.01047083 0.01965692 -0.01572697 0.00337061 0.00580848 0.00169134 +H 2.03307864 7.65976117 7.33564014 -0.03204128 -0.00445045 0.02640037 -0.11709536 -0.05178308 0.05455867 0.02427681 -0.02097379 -0.02689220 +C 5.00791661 6.73911224 6.21952815 -0.01132457 0.00270490 0.00034339 -0.02114517 0.00181453 -0.01195348 0.00655207 -0.00260980 -0.00463630 +H 4.32097695 8.20449192 7.63070294 0.01293319 0.00757835 0.02154060 -0.02315566 -0.07315932 -0.04362850 -0.00686104 0.00274666 -0.00578730 +C 4.66882653 5.70237498 5.35799415 0.00472199 -0.00281820 -0.00293649 0.00611246 -0.01876030 -0.02430676 -0.00333200 -0.00034836 -0.00199870 +N 6.35727070 6.97998215 6.49581630 0.00129463 -0.00253102 -0.00542071 0.01129725 -0.00957464 -0.03879714 0.00103286 -0.00003565 -0.00356594 +C 3.28891744 5.41021708 5.21494102 0.00540021 0.00457246 -0.00257637 0.01622843 0.02818250 -0.01813304 -0.00229941 0.00261517 -0.00168553 +H 5.40610112 5.10927727 4.77372316 0.00839798 -0.00729305 0.01269880 0.04878206 -0.01018825 0.10833111 0.01466507 -0.00828336 0.00402593 +C 7.43584605 7.02384872 5.64382454 -0.00259430 -0.00431360 -0.00195141 0.01254154 -0.02411558 -0.00248472 0.00593391 -0.00196696 0.00146383 +H 6.59715006 7.21788953 7.41013933 0.01712468 -0.00724068 0.00434717 0.03248904 -0.03287946 -0.01281461 -0.01257381 -0.00538385 -0.02369123 +O 7.44274815 6.77499062 4.42488833 0.00369648 0.00170239 0.00320626 0.01451693 0.00965339 0.02509733 0.00049763 0.00072465 0.00279650 +C 8.81523905 7.45367423 6.27821811 0.00080195 0.00164122 0.00039681 -0.02398322 0.00734103 -0.01444896 -0.00730136 0.00153666 -0.00024377 +H 9.61696107 7.62384280 5.55506069 0.01211463 -0.01552743 0.00966455 0.00700678 -0.06738029 0.00237206 -0.00829174 -0.00361007 -0.00636778 +H 8.65091687 8.35840591 6.77886265 -0.01464301 -0.01010984 -0.00061793 -0.05788457 0.06023635 0.05212521 0.00475087 -0.00202772 -0.00909053 +H 9.26720213 6.72489166 6.93453073 -0.02061990 0.03131648 -0.00074482 -0.14517053 0.03220138 0.16117342 -0.02522468 -0.00646394 0.02348972 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.09233803 5.56032535 5.88471385 -0.00216017 0.00477096 -0.00048304 -0.03300321 0.02349355 0.00430589 -0.00884122 0.00269244 0.00049265 +C 2.35756541 5.95560423 5.93877592 -0.00195691 -0.00350793 -0.00749788 -0.02244011 -0.02759488 -0.00412824 -0.00250982 -0.00395155 0.00642442 +H 0.58973688 6.06825011 5.26676776 0.00005441 -0.02287053 0.01079295 -0.09384430 -0.07546637 -0.06415008 -0.00404791 -0.01293245 -0.00625980 +C 3.03870719 5.67613938 7.11820101 0.00389018 -0.00093658 0.00470955 0.03311528 -0.01415044 0.00623908 0.00220893 -0.00370256 -0.00188958 +H 2.19466289 6.90546689 4.12168529 -0.00155428 -0.00298176 0.01223108 0.03014419 0.09858088 -0.05470724 0.02186789 0.01956636 -0.00629689 +C 4.42702539 5.81648807 7.14573354 -0.00010416 -0.00732288 0.00220291 0.00289004 -0.01679516 0.02311690 0.00124406 0.00416440 0.00030683 +H 2.55751743 5.25144726 7.98740401 0.02269277 0.03134688 -0.00813564 0.00392928 0.05469074 0.07282139 -0.01074665 -0.01023005 0.00978012 +C 5.05186207 6.55996387 6.13906968 -0.00321989 0.00560175 0.00068190 -0.01941685 0.03203962 -0.01321011 -0.00072125 0.00226522 -0.00221977 +H 4.95244922 5.56265996 8.09718724 -0.00384509 0.00064523 0.00762584 -0.01448533 -0.03597835 -0.03926145 0.01373031 -0.01586634 0.00674581 +C 4.22840071 6.97970580 4.98633441 -0.00017545 0.00271352 -0.00468503 0.04140347 0.02646009 -0.00816313 0.00651851 0.00247794 0.00473491 +N 6.43519133 6.76318726 6.37895872 0.00170180 0.00299990 -0.00069035 -0.00845404 0.02052078 -0.01668974 -0.00426558 0.00127405 -0.00173270 +C 2.85040045 6.73424164 4.93523452 -0.00209805 -0.00494946 -0.00015968 0.01648060 -0.04174555 -0.01872899 0.00689655 -0.00555086 -0.00670763 +H 4.78489529 7.50781851 4.14251618 0.00407458 0.01497388 0.00257038 -0.08960728 0.06888879 0.06875183 -0.00176404 0.02728255 -0.01736866 +C 7.43658956 7.32954015 5.67757807 0.00101748 -0.00079284 0.00674532 -0.00827692 0.00043128 0.00557045 -0.00166877 0.00075542 -0.00375707 +H 6.77230529 6.33986763 7.21450299 -0.00866826 -0.00662611 -0.02391353 -0.01672940 -0.08382971 -0.01980276 -0.00389594 -0.00128735 -0.00537186 +O 7.29564451 7.84723825 4.52953197 -0.00143852 -0.00209580 0.00254088 -0.00706830 -0.02256356 0.04283362 -0.00078306 -0.00365572 0.00826329 +C 8.80109098 7.20579883 6.31769893 0.00353580 -0.00130453 0.00077707 0.03768780 0.01015238 -0.01805442 0.00496893 0.00601179 -0.00645716 +H 8.82298095 7.40519656 7.39918423 -0.00157475 0.01715670 -0.01079762 0.00327198 0.06595220 -0.03276986 0.00651103 -0.00123654 0.00337689 +H 9.36238276 6.26577689 6.05852131 -0.00444625 0.00794835 -0.02122591 -0.09818939 0.00488892 -0.05179636 -0.00954656 -0.02528369 0.00634246 +H 9.39198775 7.96187840 5.85135096 0.01614399 0.00136309 -0.02527296 0.05854724 -0.02584001 -0.06937417 -0.00189543 -0.01185642 0.00812867 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01355946 5.91646319 5.87953926 0.00541995 -0.00021472 0.00178164 0.05161033 -0.01150707 0.00793346 0.00746354 -0.00154967 0.00232508 +C 2.40387578 6.08516313 5.93893575 0.00549153 0.00030576 0.00345563 -0.03347275 -0.00087489 0.02872458 -0.01098287 -0.00165395 0.00274686 +H 0.74365953 5.24600622 5.21760119 -0.00285451 0.00139735 -0.00359050 0.00284134 0.05778075 0.01490387 -0.00402547 -0.01058881 -0.01861658 +C 2.78139338 7.04273578 6.90264318 -0.00675984 -0.00166696 0.00210107 -0.02076758 0.00038195 0.00339302 -0.00263792 0.00400111 0.00205249 +H 2.79688366 4.62886333 4.47509065 0.00374752 -0.02305987 -0.01274503 0.19252752 -0.03813567 -0.05781635 0.03529197 0.00829538 -0.00437791 +C 4.09999282 7.50872702 6.85668416 -0.00307186 -0.00196101 -0.00365646 -0.04059466 -0.01220705 -0.01705340 -0.00654911 -0.00262812 -0.00292680 +H 2.11209788 7.48216643 7.52679060 0.00924783 0.01873669 0.01245458 -0.03638241 0.10104497 0.07508542 0.01098228 -0.01645656 -0.02435137 +C 4.97639444 6.86591921 6.00139124 0.00069622 -0.00145881 -0.00172669 0.04375673 0.02265711 0.00985939 0.00840525 0.00604650 0.00331479 +H 4.38668316 8.35284215 7.51631615 -0.00690461 0.00792072 -0.00841668 -0.04492239 -0.02341973 -0.08958842 -0.00229462 0.00519664 0.00001295 +C 4.59800444 5.77703526 5.20740048 0.00020884 0.00244585 0.00110020 0.01139379 0.00050698 -0.00920609 0.00111055 -0.00090244 -0.00164580 +N 6.28438674 7.40042948 6.14404472 0.00079363 0.01051726 -0.00109393 -0.00013808 0.04839193 -0.01382211 -0.00090129 0.00312906 -0.00262176 +C 3.25762721 5.40107595 5.07860002 -0.00177230 -0.00049907 -0.00482677 -0.01235201 0.00087179 -0.01565516 -0.00010517 0.00207465 0.00165781 +H 5.40155336 5.25903902 4.64934387 -0.00061920 -0.01597465 0.02622290 -0.07644794 -0.12323041 0.08647800 -0.00034720 -0.02395724 -0.01319469 +C 7.44975970 6.88351961 5.75598925 0.00432351 0.00335071 0.00000175 0.00229036 0.02771140 -0.00673213 -0.00445484 0.00261220 -0.00293905 +H 6.48026977 8.23900396 6.68953936 -0.01556061 0.00590727 0.01177889 -0.20608441 0.01994361 0.04452728 -0.02796713 0.00510451 0.00099546 +O 7.57547130 5.86662315 5.11779377 -0.00335378 -0.00411537 -0.00263290 -0.01326719 -0.02916806 -0.01719743 -0.00061572 -0.00257812 -0.00135589 +C 8.60764530 7.77226256 6.13074616 -0.00305430 -0.00741467 -0.00043728 -0.00295921 -0.02741111 0.01957448 0.00500470 -0.00180757 0.00351368 +H 9.19273472 7.35921565 6.95353002 0.00620393 -0.01415437 0.01772056 -0.02816644 -0.06872483 -0.02552097 -0.00562575 -0.01484260 -0.01804878 +H 9.23509674 8.00331822 5.29853163 -0.00920525 0.01238428 0.00806303 0.00309192 0.00511104 -0.02142386 -0.00139321 -0.01571388 0.00207033 +H 8.16350554 8.77293469 6.41421148 0.01904836 0.01162055 0.02475051 0.21489471 -0.09587152 0.15869325 0.02086624 -0.00725736 0.02775786 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03511461 5.52349565 5.80906385 -0.00083899 0.00266438 -0.00319975 0.00634872 0.01427247 -0.02183017 0.00367795 0.00252687 -0.00310255 +C 2.26636799 6.09954585 5.76290649 0.01198786 -0.00073724 0.00256033 0.05737419 -0.01452879 0.01255848 0.00163325 -0.00207741 -0.00113228 +H 1.08782381 4.65218930 6.11740629 0.00767305 -0.01660278 0.00419787 -0.01074255 0.03428548 -0.00579902 -0.01108454 0.01205906 -0.00084810 +C 2.64088784 7.02552656 4.81701245 -0.00247601 0.00020108 0.00242598 0.02812226 0.01849455 0.00517484 0.00779459 0.00379933 -0.00142412 +H 2.97730311 4.97645534 7.44495664 -0.02844052 0.03000063 -0.00189238 -0.15748580 0.13009015 0.04056099 -0.00813070 0.00504093 0.01361185 +C 4.02102549 7.49380362 4.79043178 0.00155257 -0.00464718 -0.00118071 -0.00128416 -0.03354805 -0.02160111 0.00073094 -0.00352527 -0.00465625 +H 1.97709783 7.34457013 4.05058629 0.00223526 -0.00195231 0.00306168 -0.04916896 0.00266323 0.01707577 -0.00110287 -0.00094301 0.01351113 +C 5.02128036 7.06530886 5.71477884 0.00509683 0.00071341 0.00186042 0.00270406 0.00185934 0.00449265 -0.00572192 -0.00131565 -0.00048190 +H 4.23509339 8.10993551 3.93777856 0.00349094 -0.00719740 -0.00605633 0.08424402 -0.01108035 0.01498318 0.01420261 0.00100563 0.01023720 +C 4.52523864 6.20776790 6.70502636 0.00412343 -0.00459138 -0.00108195 0.03412572 -0.03386757 -0.00175042 0.00621346 -0.00526178 0.00171503 +N 6.37383416 7.46341981 5.59631682 -0.00588396 -0.00228827 0.00664113 -0.02189870 -0.02115921 0.03817662 0.00252375 -0.00301783 0.00351605 +C 3.24520813 5.67731745 6.66421830 0.00143954 0.00569044 -0.00007082 -0.00149097 0.03144749 0.02489316 -0.00096651 0.00257131 0.00842208 +H 5.06889391 5.86968627 7.55668513 -0.01186764 -0.00514436 -0.00984242 0.11788216 -0.06051717 -0.01632070 0.02834500 -0.00514114 -0.00890091 +C 7.46174729 6.88030592 6.15399610 -0.00132791 -0.00720972 0.00031382 0.01426749 -0.02629028 -0.00345637 0.00165609 0.00248936 -0.00279603 +H 6.52515614 8.10411448 4.85365630 0.02464909 -0.01060445 0.00232297 0.13934345 -0.01543491 0.07626315 0.00147854 0.00099914 0.02416111 +O 7.43364065 5.87558418 6.88240708 -0.00070627 0.00701914 -0.00512540 -0.01055541 0.03822525 -0.02852552 -0.00176164 0.00185124 -0.00165556 +C 8.94142563 7.44041534 5.91708833 -0.01005078 0.00338294 -0.00065475 -0.09316288 0.03432418 -0.00853365 -0.01501506 0.00316769 -0.00112352 +H 9.69690791 6.64860239 5.87768850 -0.02822895 -0.01413231 -0.02066721 -0.21176274 -0.04936710 -0.08635226 -0.02878991 0.00067518 -0.00516758 +H 9.05002556 8.05217824 4.99354232 0.00397475 -0.00161403 -0.01007177 -0.06568513 -0.07841992 -0.01816569 -0.02028311 -0.00107528 -0.00817463 +H 9.17044369 8.20979813 6.67842161 0.00952870 -0.00888757 0.02908441 0.04000153 -0.22799442 0.10616620 0.00367138 -0.03835837 0.00583145 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97292589 5.77667198 5.68790317 -0.00537979 -0.00150923 -0.00244087 -0.02151458 -0.01081502 -0.01597994 -0.00030404 -0.00040233 -0.00161088 +C 2.30571414 6.07482313 5.83851716 0.00006344 0.00031041 0.00022154 -0.01997698 0.03068497 0.01209303 -0.00472914 0.00522425 0.00214319 +H 0.85528781 4.86250422 5.35823300 0.00651118 -0.00094431 0.01551227 0.00243945 -0.03347326 0.10716507 -0.00718281 -0.02377966 0.00935188 +C 2.66259666 7.42636721 6.20243994 -0.00742202 0.00573691 0.00488015 -0.04373734 0.00898310 0.02056640 -0.00663927 -0.00161381 0.00140363 +H 3.04596610 4.07649562 5.51581519 0.04790104 -0.01288409 0.01138034 0.24956813 -0.03757413 0.03935380 0.01088766 0.01044486 -0.00547434 +C 3.99798492 7.86593261 6.31756282 -0.00348257 0.00189713 0.00557552 -0.03515671 -0.02308029 0.03461000 -0.00466471 -0.00563105 0.00364591 +H 1.88977429 8.15507750 6.39175551 0.00997314 -0.02242768 -0.00931352 -0.12310566 0.01206390 -0.04277044 -0.02264586 0.01106580 -0.00467539 +C 5.00555209 6.90764298 6.15199273 0.00168726 -0.00204189 -0.00534321 0.02828574 0.00842410 -0.02182524 0.00549436 0.00425762 0.00006782 +H 4.20488338 8.86688015 6.65160246 -0.01187603 -0.01777338 -0.02474926 -0.02828893 0.07523870 -0.14493016 -0.00188171 0.01013212 -0.01590403 +C 4.61710437 5.54962329 5.89495040 0.00036125 0.00186461 0.00690613 0.02476718 -0.00651476 0.03266422 0.00509516 -0.00044558 0.00181782 +N 6.32808088 7.41765425 6.33247478 0.00947895 -0.00036792 -0.00142328 0.05590020 -0.01480058 -0.02460401 0.00364123 -0.00562126 -0.00535707 +C 3.28592454 5.10441650 5.73794613 0.00505039 0.00057933 -0.00968303 0.04729882 0.01863831 -0.05874765 0.00733623 0.00520829 -0.00553728 +H 5.36165148 4.72900576 5.78379139 -0.01366102 -0.01763517 -0.01718015 -0.04039514 0.04119541 -0.04830804 0.02684120 0.00416558 0.00323297 +C 7.50991136 6.89156672 5.81037569 0.00201621 -0.00144347 0.00375792 -0.01405421 0.00802312 0.03367656 -0.00307861 0.00141931 0.00327674 +H 6.34780350 8.42198558 6.65130880 0.01415354 0.01290625 -0.01087483 0.15516803 -0.09751914 -0.03577713 0.02675305 0.00655028 0.01573673 +O 7.52049345 5.99539795 4.99296108 -0.00516738 0.00202624 0.00503621 -0.03666463 -0.00080137 0.03286189 -0.00527135 -0.00205071 0.00463523 +C 8.81920236 7.59176040 6.12220508 -0.00025723 -0.00304532 -0.00324433 0.00490815 -0.01118620 -0.04033634 0.00003110 0.00041901 -0.00549468 +H 9.07512464 7.67552616 7.18355325 0.00898802 0.01484292 -0.00513436 0.02225555 0.04656496 -0.06181394 -0.00299618 -0.00387405 -0.00816609 +H 9.58537360 7.01092353 5.55210820 0.00610538 -0.02547258 -0.01286909 -0.01672934 -0.00709237 0.06461670 0.00894689 0.00840111 0.01204963 +H 8.73910800 8.57473753 5.64496127 -0.00877696 0.02032727 -0.00477652 0.01706467 -0.01416496 0.04506447 0.01293299 -0.01137048 0.00452045 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02431772 5.56237135 5.92277817 -0.00113197 -0.00292066 0.00332255 -0.01934562 -0.01549661 0.02690919 -0.00200318 -0.00133411 0.00393390 +C 2.23617898 6.08603575 5.93813405 0.00532509 -0.00264251 -0.00393143 0.06655192 0.00109234 -0.00805248 0.01023698 0.00294490 0.00259763 +H 0.92645558 4.76100920 5.38738613 -0.00211966 0.00236020 0.02945527 -0.00694470 -0.08841446 0.13317944 0.00048875 -0.01949185 0.01188339 +C 2.58816188 7.15321149 6.78125090 -0.00296780 0.00684206 0.00897279 0.01044708 0.02962234 0.03790874 0.00066734 0.00219659 0.00362747 +H 3.03020580 4.74788208 4.47664732 0.01166206 -0.00601062 -0.01768253 0.12212917 -0.01417723 -0.00177927 0.02029010 0.00188526 0.01387067 +C 3.95131355 7.63636728 6.83992590 -0.00344857 0.00494123 -0.00701015 -0.01941503 0.02941185 -0.05219614 -0.00174840 0.00330597 -0.00743152 +H 1.92788955 7.55625146 7.42991140 0.00120768 -0.00529527 -0.00231360 -0.14906245 0.05303407 0.07980078 0.01050312 -0.00563228 -0.01810312 +C 5.02110717 7.08789323 6.00231243 0.00274169 -0.00406760 -0.00360531 -0.04607547 -0.03645258 0.00796648 -0.01220271 -0.00479587 0.00551307 +H 4.06733113 8.40550158 7.61094387 -0.01498778 0.00975308 -0.00205000 0.04736692 0.04197711 -0.12399859 0.02744522 0.01263470 -0.02235436 +C 4.59084567 5.99332378 5.22087463 -0.00329494 0.00181340 -0.00037608 0.01260578 0.01077904 -0.02435453 0.00664638 0.00182549 -0.00509730 +N 6.33597539 7.43341216 6.16078234 -0.00342211 -0.00853502 0.00310891 0.00300230 -0.03879614 0.02566586 0.00166111 -0.00162040 0.00521103 +C 3.26612079 5.49865968 5.19385635 0.01456400 0.00728850 -0.00479086 0.06975952 0.03876443 -0.05476920 0.00310563 0.00281720 -0.01026941 +H 5.29758382 5.52918531 4.51372833 0.01020160 -0.00646381 0.00966821 0.01553483 -0.05248125 0.11866516 0.01138634 -0.01763688 0.00542692 +C 7.52421037 6.88467173 5.73375449 -0.00274887 0.00469946 0.00470060 -0.02583681 0.00349636 0.01759059 -0.00339756 -0.00492157 -0.00097006 +H 6.44972379 8.26181084 6.70621648 -0.00132756 -0.01749469 0.00665563 0.01003526 -0.06854243 0.09193281 0.00281118 -0.00965866 0.01289887 +O 7.58099063 5.85215657 5.05970143 -0.00289633 0.00047581 0.00027234 -0.01980398 0.01359812 0.00674841 -0.00281009 0.00339942 0.00162964 +C 8.85908328 7.53698113 6.15485767 0.00121705 -0.00324402 -0.00443136 -0.02554482 -0.02034730 -0.02514079 -0.00623942 -0.00279283 -0.00107865 +H 9.58243280 6.78356007 6.37945952 -0.00283431 0.01128186 -0.02404928 0.06387072 -0.03675234 -0.08517424 -0.00099441 -0.00324499 -0.00328184 +H 9.23959613 8.12602438 5.29509220 0.00086637 -0.00470591 0.02618585 0.02580199 0.10207529 0.09785695 0.00132997 0.03061864 -0.00244417 +H 8.65645887 8.12074310 7.03318776 -0.02686995 -0.01226700 -0.00135029 -0.05539371 -0.03912525 0.00269987 0.01498708 -0.00664721 -0.00241295 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99037072 5.73866921 5.84643649 -0.00310014 -0.00366821 0.00088671 0.00810747 -0.02922159 0.00042358 0.00516389 -0.00432691 -0.00092044 +C 2.35130273 6.08447299 5.88468558 0.00343511 0.01204300 -0.00630403 -0.01750032 0.04342094 -0.04997601 -0.00601111 -0.00005824 -0.00698430 +H 0.84358124 4.87954367 5.55406979 0.00222763 -0.01553043 -0.01835094 0.02900173 -0.00138879 -0.07328568 0.00624941 0.01284577 -0.00355582 +C 2.65733965 7.39210180 6.11148764 -0.00973885 0.00810077 0.00534545 -0.05314718 0.08999807 0.04959435 -0.00246378 0.01189826 0.00694484 +H 3.20548247 4.13359463 5.58154762 0.02733027 -0.03447763 0.00324340 0.14269922 -0.01048705 -0.03199992 0.00684501 0.02621722 -0.00999396 +C 3.95338819 7.85853097 6.28400039 -0.00095144 -0.00129482 0.00404394 0.00835836 -0.03214576 0.01020393 0.00027263 -0.00613458 -0.00065770 +H 1.87605069 8.19359162 6.27512090 0.01216186 0.00971789 -0.00204913 -0.04895273 0.02277847 -0.02510536 -0.04462108 0.02213043 0.00300696 +C 5.04675046 6.94570492 6.07488802 0.00133506 0.00007161 -0.00319897 -0.01821100 0.01715349 -0.00924663 -0.00384746 0.00218812 0.00010926 +H 4.13445774 8.95049723 6.47013281 -0.00936097 -0.02885275 -0.00607929 -0.01378054 -0.06175408 0.02803621 0.01185721 0.02421335 0.01591486 +C 4.73688235 5.59959145 5.81099082 0.00576141 -0.00009540 0.00273899 0.02950029 -0.01788603 0.00124912 0.00241957 -0.00321482 -0.00138933 +N 6.30685387 7.44452506 6.25627820 0.00064590 0.00039939 -0.00238848 0.01333856 0.00411928 -0.00751678 0.00179698 0.00173981 0.00128572 +C 3.39471676 5.17500443 5.68774893 0.00848170 -0.00016033 -0.00063586 0.04883391 -0.01217633 0.00827773 0.00318897 -0.00106564 0.00255475 +H 5.45547644 4.83434097 5.57017801 -0.00218115 -0.02405255 0.00173713 0.02786703 -0.03953065 0.12714536 0.01444431 0.01199460 0.02928694 +C 7.44450559 6.91790976 5.79036841 -0.00116190 -0.00330753 0.00891023 -0.01738150 -0.05364441 0.02136206 -0.00294971 -0.00952763 -0.00164510 +H 6.38378449 8.23209776 6.82424944 0.00404673 0.00255733 0.00412639 0.03581050 0.03312894 0.00783859 0.00466534 -0.01133298 -0.01529203 +O 7.42063172 5.95885540 4.96743838 0.00205312 0.00066541 0.00071800 0.02660445 0.01937313 0.01909583 0.00506366 0.00319864 0.00362660 +C 8.75371191 7.51480443 6.26610046 -0.01028445 -0.00493795 -0.00576561 -0.04387501 -0.01782356 -0.02645860 -0.00353678 0.00109865 -0.00266109 +H 8.87178026 7.23789297 7.33395826 0.00091166 -0.00200939 -0.00027949 0.03746673 -0.04499146 -0.08925668 0.01119338 -0.01092237 -0.00601125 +H 9.65621459 7.23712296 5.70758729 0.02193029 -0.00220025 -0.02316502 -0.12218867 0.00392768 -0.05689105 -0.03727625 -0.00313316 -0.00518522 +H 8.67644935 8.57890357 6.33824390 -0.01220688 0.01280479 -0.01264009 -0.06850407 -0.00394085 -0.15149298 -0.00661830 -0.02089679 -0.02455946 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.91853836 5.81363857 5.77769448 -0.00181462 -0.00374395 0.00349563 -0.02266294 -0.01632236 0.01685219 -0.00522586 -0.00289310 0.00246389 +C 2.23072074 6.14082837 5.78362798 -0.00635878 -0.00406195 -0.00463603 -0.00321406 -0.05483214 0.00918492 0.00488972 -0.00854419 0.00477045 +H 0.64040407 5.03770253 6.24112542 -0.01576696 0.02053790 -0.01670113 -0.08184527 -0.03209874 0.02361038 0.00553962 0.00035681 0.00552991 +C 2.66751648 7.04894579 4.85551378 -0.00372195 0.00322308 0.00422179 0.00439908 0.03907411 0.02560047 0.00250615 0.00486796 0.00418793 +H 2.96138782 4.82446122 7.47256579 -0.01207970 -0.00014807 0.02095800 -0.14352637 0.05589846 0.01581434 -0.01946548 0.01610072 -0.01856475 +C 4.03770027 7.47898976 4.85513256 0.00018619 -0.00123338 -0.00118369 0.00002871 -0.00792360 0.01507183 -0.00031762 -0.00073809 0.00449263 +H 1.97520913 7.57952290 4.22867948 -0.00689433 -0.01619865 0.00355877 -0.07178375 -0.09561522 -0.02883343 0.00004731 -0.00957436 -0.00460497 +C 5.01047689 6.87397128 5.75374494 0.00273245 0.00724408 0.00178521 0.03865055 0.06121054 0.00907761 0.00628963 0.00860593 0.00020652 +H 4.32025245 8.39511291 4.32028722 -0.02688069 -0.00107062 -0.02554590 -0.13530875 -0.15670213 -0.18444669 -0.00008140 -0.02986896 -0.02651778 +C 4.57429137 5.83303506 6.66444699 0.00150607 0.00599898 -0.00581871 0.00555495 0.04677237 -0.04355054 -0.00332985 0.00826210 -0.00685255 +N 6.35849476 7.46222772 5.79732711 0.01098582 -0.00262740 -0.00504289 0.02770030 -0.01952691 -0.04839737 -0.00223136 -0.00070473 -0.00920727 +C 3.19268424 5.55185125 6.72564305 -0.00212490 -0.00185393 0.00165952 -0.02752293 -0.00997453 -0.01095233 -0.00375506 -0.00102925 -0.00396574 +H 5.25199138 5.24104154 7.32149945 -0.00185125 -0.01087854 0.02087768 -0.07518548 0.15797602 -0.00491911 0.00625666 0.03354794 -0.00042542 +C 7.52825164 6.91872789 6.12940586 0.00205797 0.00276477 -0.00147311 0.02828048 -0.00474084 -0.00719637 0.00465295 -0.00491192 -0.00103999 +H 6.48725409 8.34875439 5.38624541 -0.00661467 -0.00360388 -0.01138054 -0.05225817 0.00939357 -0.06667259 -0.00350390 -0.01095448 0.00049868 +O 7.64083538 5.75216289 6.45478782 0.00111320 -0.00034168 -0.00033898 0.00445155 -0.00679098 0.00219388 0.00035712 -0.00146377 0.00099854 +C 8.83677794 7.72331746 6.02117624 -0.00214153 -0.00110871 0.00326845 -0.01515542 -0.00608514 0.02391711 -0.00011146 0.00015492 0.00373536 +H 8.77837798 8.72645737 6.44852788 -0.00609689 -0.02103501 0.03854440 -0.04467613 -0.15809141 0.29467412 -0.00571611 -0.02346697 0.03382213 +H 9.61803848 7.11839051 6.45916192 0.00460848 -0.01160586 0.00459673 0.00361284 0.00951959 0.02083031 -0.00810666 0.01071193 -0.00079162 +H 9.06435495 7.88328873 4.98803780 0.02376228 0.01460982 0.01100019 0.13546038 0.09126405 0.04811523 0.00433198 0.01264524 0.01809186 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.07247232 5.84457213 5.72973757 0.00182011 -0.00262600 -0.00121532 -0.02104274 -0.02852683 -0.00832305 -0.00664136 -0.00537040 -0.00108248 +C 2.31641313 6.11816650 5.92195326 -0.00019940 0.00322669 -0.00233273 0.00909478 0.01983128 -0.01302938 0.00275414 0.00330869 -0.00118449 +H 0.93478705 4.91011211 5.52146134 0.01680194 0.01146749 0.00137103 0.06931344 -0.03620547 -0.03324076 0.00021537 -0.01727908 -0.00955284 +C 2.56181543 7.34389609 6.41679766 0.00044276 0.00555148 -0.00163811 0.04607869 0.06024165 0.00184770 0.01110000 0.00870720 0.00150328 +H 3.15977894 4.27795308 5.15735419 -0.03458572 0.00836054 -0.01929693 -0.22232169 0.06824618 -0.11603146 -0.00866339 0.02122849 -0.00563460 +C 3.92229296 7.77893672 6.38400708 0.00674950 -0.00546738 0.00329121 0.03124121 -0.01809055 0.03604059 0.00293369 0.00216040 0.00708128 +H 1.76975417 7.96090253 6.84054881 0.01296341 0.00487970 0.01703278 0.07185516 0.07744608 0.00292977 0.00451165 0.01961106 -0.01456855 +C 4.99590812 6.94951987 5.99577413 0.00255317 -0.00051966 0.00228071 0.00618812 -0.01977138 0.00368459 -0.00005141 -0.00369159 -0.00033293 +H 4.13507857 8.78169015 6.67209420 -0.00608191 -0.00350687 -0.00216141 -0.00471853 0.00610521 0.05174454 0.00698297 -0.00587929 0.01367373 +C 4.63295020 5.64623907 5.52027185 0.00068157 -0.00072773 0.00636211 0.03355992 0.01299290 0.03976654 0.00782582 0.00238990 0.00401741 +N 6.29237815 7.46979353 5.97884790 -0.00402868 0.00167402 -0.00310210 -0.00494717 -0.00829014 -0.01652294 0.00123615 -0.00196528 -0.00064187 +C 3.31402305 5.24608163 5.54489114 0.00449299 0.00238321 -0.00159581 0.01688913 -0.00373094 -0.02778147 -0.00151280 -0.00310355 -0.00650029 +H 5.32967840 4.98299869 5.01569924 0.00502496 0.01812483 -0.00639198 0.08983603 0.08229828 0.05574648 0.01921625 -0.00029128 0.01874493 +C 7.49653575 6.83333592 5.82336443 0.00119034 -0.00660603 -0.00021852 -0.02450062 -0.00751212 0.00942201 -0.00750828 0.00266945 0.00254637 +H 6.44956550 8.35501105 6.35521269 -0.01453114 0.00355094 0.00550978 -0.14347693 0.06821049 -0.05853524 -0.01944279 -0.01190114 -0.03287751 +O 7.67818763 5.64332942 5.80276977 0.00229897 -0.00293402 0.00190183 0.01277302 -0.03691579 0.00706051 0.00112871 -0.00633276 0.00025982 +C 8.69538288 7.75289558 5.87306735 -0.01028300 0.00014466 0.00112039 -0.08003726 0.01401091 -0.02793434 -0.00997415 0.00346162 -0.00317144 +H 8.99197292 7.74703356 6.88545392 -0.03493066 0.01669584 -0.04250191 -0.04834637 0.14666299 0.08154345 0.00596290 0.01547566 0.01174605 +H 9.49479194 7.31530217 5.25444627 -0.01791029 0.00540712 -0.00709298 -0.07859747 0.06116724 -0.02724659 0.00175092 0.00710856 -0.00359952 +H 8.43205286 8.76903698 5.51799304 -0.00320808 0.02401460 -0.00087661 0.00753564 -0.01079801 0.03038906 -0.00654957 -0.00449535 -0.00313172 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03290121 5.61434833 5.77731774 -0.00766250 -0.00207281 -0.00412911 -0.05049337 -0.01026937 -0.04280955 -0.00406592 -0.00090326 -0.00501353 +C 2.34646085 5.90473112 5.88462022 0.00175257 0.00006716 -0.00332980 0.00139619 0.00115017 0.01786077 -0.00320534 -0.00017608 0.00842436 +H 0.66515266 5.79456880 4.89908137 0.00014079 -0.00959477 -0.02777325 0.04608828 -0.09506834 -0.04551388 -0.00312739 -0.01080141 -0.02729634 +C 2.95366320 5.63543168 7.14192592 0.00099873 0.00138177 0.01235546 0.02400194 0.03671990 0.03031809 0.00341496 0.00812053 -0.00120547 +H 2.46640370 6.96299333 4.04965511 0.00448687 0.01497569 0.01296334 0.07394768 0.07782057 -0.02268840 0.02053913 -0.00422568 -0.00184477 +C 4.32418984 5.97950999 7.26628513 0.00070491 -0.00132012 -0.00256635 0.01008186 -0.02646811 0.00095223 0.00562396 -0.00485741 0.00108896 +H 2.38710212 5.21115336 7.95847161 0.03384678 0.04883954 0.00789589 0.08721759 0.15588477 0.19470384 0.00085900 0.00111526 0.01532809 +C 5.07885243 6.55762467 6.27797310 0.00556689 0.00285849 -0.00176368 0.04694202 0.03363988 -0.03443409 0.00446312 0.00457872 -0.00546999 +H 4.83856436 5.71537035 8.17265529 0.00999790 -0.01928567 -0.02850771 0.05498430 -0.12819479 -0.03761462 -0.00110223 -0.01156432 0.01184366 +C 4.41227558 6.94640638 5.08086566 0.00308576 0.00438278 -0.00055907 0.00329720 0.02631364 -0.02315899 -0.00183059 0.00288091 -0.00561642 +N 6.48021678 6.75401014 6.48708852 0.00010982 -0.00426971 0.00357929 0.01197516 -0.02053343 0.01499740 0.00306401 -0.00156096 0.00028157 +C 3.03429258 6.64253904 4.88895395 0.00142379 -0.00102621 0.00133482 0.01743816 -0.01013505 0.02367464 0.00279239 -0.00071661 0.00342000 +H 4.88635520 7.42346918 4.26035767 -0.01789365 0.00528327 -0.04468319 -0.10693370 0.00205541 -0.08852095 -0.00447415 -0.00220980 0.02154464 +C 7.41611323 7.38227148 5.66726653 -0.00156461 -0.00115956 0.00311006 -0.03558605 -0.04613301 0.03378269 -0.00607438 -0.00995893 0.00356983 +H 6.82463529 6.30456880 7.32132412 0.01365482 -0.01605386 0.00561057 0.06941513 -0.02888972 -0.03820011 0.00504306 0.00131367 -0.00522799 +O 7.08884505 7.82391689 4.58636338 -0.00307527 -0.00242189 0.00184126 -0.01088407 -0.00555448 0.00978433 -0.00025430 0.00024848 0.00199862 +C 8.88649613 7.21840313 6.05585909 -0.00021987 0.00146715 -0.00425682 -0.00393600 0.01411127 0.00552114 -0.00418029 0.00257411 0.00125070 +H 9.16972581 6.12611139 6.07807252 0.00293354 0.01554778 -0.00391112 0.03812590 0.08379357 -0.14151586 0.01415681 -0.01297763 -0.02768195 +H 9.61547503 7.82648176 5.46351744 -0.00612224 0.00372256 0.00021308 -0.09137020 0.01465406 -0.01722682 -0.00884060 0.01312295 -0.01323795 +H 9.06481523 7.43196475 7.17307574 -0.01212843 0.00797991 0.01323725 -0.12195662 0.10650853 -0.13724913 -0.00902196 0.02917386 0.00542930 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92316372 5.76942279 5.92742574 -0.00169943 0.00460640 -0.00416407 0.01095482 0.03944175 -0.03274226 0.00282062 0.00680608 -0.00535010 +C 2.28605513 6.16461471 5.80710651 -0.00353446 -0.00712515 0.00523864 -0.02926135 -0.05656463 0.00695903 -0.00073512 -0.00797432 -0.00326155 +H 0.81866406 4.92520773 6.41087897 -0.02411995 0.01713354 -0.00547617 -0.16456404 0.11872395 0.00254937 -0.02000882 0.00497811 0.01360370 +C 2.76376947 6.80857852 4.62335265 -0.00134835 -0.00465916 -0.00007780 0.00290949 -0.03568228 0.02942395 0.00247626 -0.00455188 0.00786642 +H 2.93909314 5.10945125 7.60740087 0.01515298 -0.01407194 0.01051723 0.07295541 0.02849813 -0.00908562 -0.00358322 0.00606840 0.00794338 +C 4.11750298 7.15359518 4.50888390 0.00473864 -0.00002103 0.00065030 0.04327763 -0.00700973 0.02272142 0.00435223 -0.00198113 0.00443194 +H 2.13232243 7.04112486 3.75395116 0.01527869 0.00514032 0.03398510 -0.08950160 0.06790574 0.11041298 -0.02910965 0.00995662 0.00192404 +C 5.02341049 6.83741588 5.61347541 0.00414472 -0.00006451 -0.00666722 0.02649526 -0.02247296 -0.05524180 0.00314980 -0.00747479 -0.00473282 +H 4.46544608 7.61624633 3.59270046 0.01274001 0.01600935 0.00399774 0.05136590 0.09738814 0.09983621 0.00100118 0.01158926 0.01785636 +C 4.56857756 6.03334869 6.65457479 0.00247505 0.00012650 0.00656125 0.02919974 0.03992159 0.03979202 0.00478614 0.01039970 0.00318966 +N 6.38581911 7.17228030 5.50561016 -0.00239873 0.00146302 -0.00054436 -0.02923801 0.02277470 -0.01673302 -0.00473811 0.00535872 -0.00602255 +C 3.23614181 5.72110502 6.74898499 0.00706475 0.00269060 -0.00130793 0.01207492 -0.00608762 0.01539237 -0.00287579 -0.00291760 0.00381449 +H 5.20175261 5.95027335 7.53163219 -0.00600225 0.00720058 0.00558040 0.00520020 -0.13110558 0.03721982 0.00932150 -0.03506249 0.00059083 +C 7.47737381 6.97877186 6.27659371 -0.00563908 -0.00060328 -0.00503417 -0.04149369 -0.01870901 -0.02765727 -0.00454138 -0.00344725 -0.00303105 +H 6.51719041 7.74325408 4.71657714 -0.01504413 -0.01753850 -0.01777316 0.01113878 -0.06633003 -0.09841136 0.01500188 -0.00853634 0.00656364 +O 7.56204958 6.15411254 7.20810602 0.00179447 0.00396585 -0.00328816 0.00725662 0.03500472 -0.02813688 -0.00025469 0.00503163 -0.00401696 +C 8.66934358 7.80421034 5.86719260 -0.00501758 -0.00546441 0.00659003 -0.01405169 -0.02929811 0.03757101 0.00103729 -0.00158586 0.00555319 +H 9.28583101 7.22946799 5.15106439 -0.00550255 0.02287298 0.00131507 -0.05134962 0.07976173 -0.04575718 -0.00730242 -0.00132645 -0.02212521 +H 8.48070370 8.72698327 5.33587867 -0.01709962 0.01002796 0.02363966 -0.15286860 0.04408477 0.24822353 -0.01773510 -0.00319297 0.04645936 +H 9.30345040 7.97325064 6.69486960 0.02205927 -0.02299260 -0.00087507 0.08750894 -0.11764337 0.03209211 -0.01362047 -0.01407590 -0.00525091 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04346413 5.64890430 5.89827655 0.00477490 -0.00295283 -0.00282513 0.02617063 -0.01908365 -0.00487957 0.00246542 -0.00244940 -0.00053338 +C 2.33253759 6.02321420 5.98536976 0.00321733 0.00115066 0.00465102 0.03068697 0.00527504 0.04052742 0.00366131 -0.00037411 0.00621608 +H 0.66259163 5.58538820 5.03323134 0.01989916 -0.00824541 0.01611487 0.11372615 -0.07559360 -0.06636440 0.02207630 -0.01035004 -0.00247909 +C 2.85985165 6.43455226 7.24664956 -0.00246692 0.00041746 0.00487724 -0.00286858 -0.00217581 0.00515686 -0.00101556 -0.00043849 -0.00160581 +H 2.74652033 5.60328153 3.95147093 -0.00436866 0.02917940 0.02957407 -0.09046753 0.12579861 -0.04518541 0.00475604 0.01783187 0.00654171 +C 4.25930982 6.68653196 7.32988285 -0.00742767 -0.00052635 -0.00101392 -0.05641311 -0.00317564 -0.02714269 -0.00423621 0.00050018 -0.00711244 +H 2.26462869 6.50344796 8.14742765 0.00210461 0.02506330 -0.01859484 -0.08226746 0.11515536 -0.03350976 -0.01302606 0.00225080 -0.00026171 +C 5.05358525 6.71559706 6.16513219 0.00372915 -0.00254858 -0.00923136 0.01473747 -0.00528905 -0.04654419 -0.00363104 0.00041188 -0.00037389 +H 4.63945793 6.91084218 8.32694385 -0.02455775 -0.00432332 -0.01174670 -0.06680818 0.03165164 -0.02384041 0.00411179 0.01232570 0.00101047 +C 4.53391848 6.39775507 4.86753150 -0.00147886 0.00252524 -0.00133365 -0.05142967 0.00472932 0.01856259 -0.00606343 0.00011684 0.00186243 +N 6.35485464 7.14914799 6.39924143 -0.00048871 -0.00210292 -0.00637055 -0.01721439 -0.02722177 -0.04341758 -0.00115279 -0.00486110 -0.00523320 +C 3.16279048 5.94018634 4.83697747 -0.00172307 0.00256971 0.00667192 0.00677641 0.03852224 0.05808061 -0.00065896 0.00642927 0.00401983 +H 4.96028287 6.45496427 3.92247955 -0.00178374 0.00492090 0.02423137 0.18295050 0.02774633 0.03273232 0.00920914 -0.00335716 0.02513175 +C 7.39126470 7.18124092 5.59028186 0.00146278 -0.00117202 -0.00081719 0.02385726 -0.00860514 0.00080469 0.00321199 -0.00093534 -0.00003242 +H 6.46200209 7.25185493 7.39753469 0.01158654 -0.00461115 -0.01870243 0.17751874 0.01384081 -0.07175157 0.02131158 0.00415710 -0.00918551 +O 7.35953340 7.11287814 4.36732026 0.00145545 -0.00029337 -0.00109132 0.01523659 -0.00231781 -0.00792978 0.00338425 -0.00031525 -0.00082616 +C 8.71039738 7.23362604 6.37603823 -0.00499613 0.00385103 0.00835303 -0.01972951 0.00575441 0.03572153 0.00264034 0.00057310 0.00194518 +H 8.81914636 8.17807340 6.82461759 0.01695941 -0.02867775 0.00443505 0.13208612 0.04333506 0.14405059 0.00418249 -0.00106032 0.01563694 +H 8.86046642 6.45868186 7.13678723 0.00037889 -0.01005697 -0.02331788 -0.13540010 -0.09449555 -0.05230276 -0.03039935 -0.01386094 0.00633109 +H 9.55002020 6.97659455 5.81393761 0.00306814 0.00281936 0.00383247 -0.00134203 0.11304560 -0.09201618 -0.02646444 0.02862257 -0.00704037 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.11989584 5.64356889 5.83685843 -0.00212460 0.00316907 0.00028823 -0.04207608 0.00424831 -0.02389386 -0.00786318 -0.00009922 -0.00396465 +C 2.35083640 6.00481092 5.90943696 -0.00211737 -0.00223451 0.00313491 0.02208435 0.00912256 0.04081285 0.00508546 0.00347306 0.00642554 +H 1.04990842 5.20000767 4.99527429 0.01098170 0.00686922 -0.02910155 -0.04106433 0.11755118 -0.03069687 -0.02533319 0.00850353 -0.01961020 +C 2.77590247 6.43596324 7.18322592 0.00554545 0.00034256 0.00134392 0.03658141 0.01639182 0.00508883 0.00438356 0.00448961 0.00040818 +H 3.00132779 5.76468303 3.82981276 -0.00935452 -0.01556939 0.00109278 -0.14576718 -0.08335652 0.00677175 -0.01721592 0.00443353 0.02443255 +C 4.12701379 6.83496544 7.36865702 -0.00518900 -0.00404962 -0.00552660 0.00413758 -0.01414461 -0.03403163 0.00684194 -0.00088391 -0.00561340 +H 2.04624989 6.58192838 7.98173193 0.01549645 0.03632718 0.00483835 0.11740422 0.12659845 0.01888285 0.00787451 -0.00317152 0.00623924 +C 5.08299806 6.74740564 6.31038544 0.00666711 -0.00323128 -0.00472476 -0.01701471 -0.02268935 -0.04414490 -0.00896672 -0.00214205 -0.00381928 +H 4.44996756 7.29989414 8.30465150 0.00674993 0.00315316 0.00989427 -0.03605399 -0.10961609 -0.03710678 -0.00593565 -0.02059877 -0.00023915 +C 4.55360355 6.40790690 4.99680272 -0.00965866 -0.00352673 0.00651738 -0.03056411 -0.03728998 0.04322001 0.00316112 -0.00724092 -0.00044425 +N 6.38829167 7.08584060 6.49910622 0.00152964 -0.00064408 -0.00197652 0.02504343 -0.00726885 0.00015333 0.00350987 -0.00176204 0.00166476 +C 3.21782230 6.06560106 4.80401910 0.00010942 0.00035596 -0.00037190 -0.01686904 -0.01468770 0.00834567 -0.00650299 -0.00572626 0.00178867 +H 5.11445179 6.18008471 4.19539892 0.01424127 -0.00178025 -0.01733276 0.00434292 0.09635580 -0.03695458 -0.03420722 0.02859793 0.03520711 +C 7.41183687 7.06133065 5.63803453 -0.00007690 0.00038814 -0.00088317 -0.01689281 0.01707555 -0.01415324 -0.00272038 0.00476598 -0.00192676 +H 6.62793369 7.32700932 7.43883959 0.00983129 -0.00291564 -0.00576420 0.06647026 -0.01004268 0.00285108 0.00467901 -0.00213369 0.00025502 +O 7.21630103 6.89035086 4.44458297 0.00363277 0.00129088 0.00188240 0.04094615 0.00707591 0.00146828 0.00744699 0.00061961 -0.00218026 +C 8.78030864 7.37713799 6.14119178 -0.00094379 0.00286470 0.00150069 -0.01372273 0.01677488 0.01679514 0.00006080 0.00045629 0.00333299 +H 9.08488157 8.38823564 5.88622996 0.00335497 -0.00303475 0.02225945 0.00198331 0.06529697 0.18768495 -0.00780076 0.01092596 0.02420330 +H 8.77276336 7.10301060 7.16700326 -0.01138196 0.00350040 -0.00002624 0.02976456 0.06970265 0.08184673 0.01654881 0.01246158 -0.00140198 +H 9.43834294 6.73458304 5.65935429 -0.01762573 0.01993471 -0.00464907 0.05725240 -0.00034209 -0.10081530 0.00322288 0.01066844 0.00350548 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03359754 5.86564324 5.82190437 0.00228420 -0.00296819 0.00379483 -0.00177616 -0.02743803 0.02921819 -0.00345667 -0.00486239 0.00450185 +C 2.37398177 5.99311276 5.94933377 -0.00301692 0.00167261 -0.00308720 -0.02289581 0.01965550 -0.01878056 -0.00220810 0.00378047 -0.00266985 +H 0.71266704 5.96400113 4.96501877 -0.02187739 -0.02590885 -0.00417048 -0.06927729 -0.15609322 0.05300365 0.00372358 -0.01854038 0.01870248 +C 3.07126784 5.65996297 7.11114131 0.00467328 -0.00027882 -0.00829942 0.00102094 -0.01461751 -0.03190392 -0.00195733 -0.00176145 -0.00136372 +H 2.54616654 7.09016095 4.03844769 -0.00518817 -0.00469075 -0.02365390 -0.03107195 -0.16705213 -0.02536704 -0.02061244 -0.02265985 -0.02199252 +C 4.43968841 5.83694080 7.21473482 0.00268294 0.00463776 0.00321704 0.02391995 0.03614266 0.02252859 0.00158178 0.00519174 0.00098355 +H 2.47526741 5.23149428 7.91380803 -0.00614184 0.02149119 0.01681750 0.06882232 0.15004539 0.03558797 0.01165581 0.00927261 0.00322036 +C 5.13135885 6.39358171 6.12998695 0.00678294 0.00130143 -0.00242337 0.05702415 -0.01959880 0.02029110 0.00465383 -0.00562391 0.00654147 +H 4.96650675 5.59758029 8.16187816 -0.01235674 0.00308994 0.01662085 -0.10233502 0.02026631 0.02204324 -0.00005721 -0.00041028 0.01111203 +C 4.42179557 6.70833433 4.96204282 -0.00471249 0.00525727 0.00971086 -0.00706471 0.05590894 0.04832364 0.00213311 0.00934043 0.00329439 +N 6.55263540 6.46067453 6.34799479 -0.00237077 -0.00308829 -0.00370173 -0.02838486 -0.00079298 -0.05544656 -0.00209706 0.00185165 -0.01027630 +C 3.03657910 6.62647850 4.93847248 -0.00666823 -0.00038962 -0.00305527 -0.03118913 0.00934252 -0.05807879 0.00020095 0.00089519 -0.00826006 +H 4.95772837 7.16091905 4.16157182 0.01805643 -0.01079793 -0.00882172 -0.03238891 -0.11172675 -0.03402171 -0.02133302 -0.01367724 0.00084337 +C 7.33164563 7.33847236 5.68301589 0.00538305 -0.00059808 0.00276293 0.00680416 -0.00403936 0.01716402 -0.00462668 0.00095451 -0.00047408 +H 6.97819759 5.86373519 7.05074722 0.00503971 -0.00716852 -0.02896887 0.01356140 -0.05216297 -0.12127650 -0.00629830 -0.00417345 -0.00827177 +O 6.99013794 8.04087185 4.75372877 -0.00310335 0.00120181 -0.00429538 -0.01416641 0.01054784 -0.02452294 -0.00017466 0.00099632 -0.00135670 +C 8.71139242 7.40907588 6.18091191 -0.00004518 -0.00222875 0.00414207 0.01390856 -0.02391186 0.04211830 0.00512852 -0.00412239 0.00952861 +H 9.19673352 8.36911249 6.04726277 0.00394711 -0.01031953 0.02618966 0.03675941 -0.00793257 0.10187856 0.00127860 0.00064922 0.00152354 +H 8.71780218 7.12603097 7.21200528 0.02159519 -0.01196911 0.00527388 0.15856788 -0.08364119 0.04247555 0.01321407 -0.00669804 -0.00480142 +H 9.14054717 6.62347689 5.51685298 -0.01765382 0.00552885 0.02473487 0.10999571 -0.01422172 0.12519271 0.04674636 -0.01125578 0.00221701 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.11115548 5.76602559 5.46622631 -0.00377958 -0.00016393 -0.00140064 -0.02364032 -0.00949537 -0.00932940 -0.00429726 0.00003730 -0.00061294 +C 2.38387390 6.10758321 5.76113344 -0.00447606 0.00765829 -0.00281923 -0.01070617 0.01330096 -0.01195899 0.00152070 -0.00180700 0.00068843 +H 0.50121862 6.44961509 5.59011092 0.01822723 -0.00841256 0.00505753 -0.00626338 0.05106216 0.04362366 0.00654383 -0.01360174 -0.00109248 +C 2.64186865 7.34551443 6.30300386 0.00065156 0.00057622 0.00476234 0.00008912 0.05010036 0.04108021 0.00088977 0.00768069 0.00419285 +H 3.14704601 4.05922672 5.59644855 -0.02345648 -0.00575737 0.03011236 -0.03001123 0.07727750 0.07768641 0.00695591 -0.00007670 -0.01011447 +C 3.97475412 7.77442342 6.56891229 0.00179521 0.00538612 -0.00133560 0.00730318 0.00861812 -0.01524284 0.00173705 -0.00091412 -0.00265372 +H 1.84915688 8.08457325 6.56261882 -0.03179740 0.00666031 0.00606373 -0.03599114 -0.11495654 -0.04390011 -0.00678543 -0.00160371 -0.00474569 +C 5.04179199 6.92129434 6.28902036 0.00531345 -0.00625596 -0.00703900 -0.00369468 -0.04974446 -0.05182346 -0.00553625 -0.00578109 -0.00653689 +H 4.17964398 8.70690781 7.04512569 0.01058118 -0.01350278 -0.01833741 0.04528104 0.10706113 -0.11169022 -0.00268408 0.01522101 -0.02121844 +C 4.70256885 5.57617154 5.91520050 0.00277908 -0.00609665 -0.00079356 0.05733701 -0.04616942 0.00421038 0.00872719 -0.00773659 0.00173506 +N 6.31778173 7.40095428 6.42304999 -0.00425578 -0.00715407 -0.00046182 -0.01387697 -0.04256119 0.00058645 -0.00035061 -0.00699760 -0.00099440 +C 3.41870441 5.12716165 5.70883478 0.00552766 0.00020689 0.00540216 -0.01516770 0.01837611 0.03876168 -0.00709535 0.00694789 0.00564628 +H 5.52197478 4.86725549 5.84614545 0.00033811 -0.02410817 0.00940279 -0.05646469 -0.13456122 0.04620951 -0.00042093 -0.01567523 0.00248225 +C 7.37416673 6.95541705 5.70869182 -0.00139962 0.00335509 0.00605184 0.00889251 0.01528441 0.04474075 0.00391098 -0.00122940 0.00354413 +H 6.42978011 8.20930951 7.09456148 -0.01815195 0.00220667 -0.00949609 -0.05826375 -0.03436888 -0.11857885 0.00459323 0.02256897 0.00493234 +O 7.30743592 6.06656236 4.89353170 0.00277053 0.00337097 -0.00390174 0.01986725 0.02500152 -0.03247581 0.00300400 0.00486739 -0.00403204 +C 8.78361630 7.47587276 6.03489815 -0.00005834 0.00621226 0.00237049 -0.00659872 0.03927495 0.01453123 -0.00112833 0.00233785 0.00205488 +H 8.87262716 7.98832891 6.98793149 -0.01413052 -0.00857679 0.02268552 -0.08412605 -0.08047206 0.07646862 -0.00257495 -0.00869498 -0.00462714 +H 9.42096583 6.63837259 6.03769426 -0.00574681 -0.02160605 -0.01706029 -0.03978188 -0.03731621 -0.04987797 -0.01689648 0.02826492 0.00822670 +H 9.12346974 8.17351011 5.26773319 0.01854871 -0.00996980 -0.01648813 0.07204012 -0.07277339 -0.03072354 0.00061305 -0.00103362 0.01037905 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96735480 5.75897307 5.92195047 -0.00568194 -0.00169746 -0.00077479 -0.03229198 -0.01376319 -0.00847157 -0.00485260 -0.00112992 -0.00081877 +C 2.29096396 6.14006319 5.92705514 -0.00148186 -0.00371511 -0.00520133 -0.03259488 -0.02593173 -0.03901901 -0.00737831 -0.00074515 -0.00472044 +H 0.36154076 6.34530609 6.27273905 -0.00559214 -0.02035866 0.03047230 0.00353328 -0.10656586 0.20219926 0.02515001 -0.02689576 0.01311596 +C 2.62257120 7.41466906 6.33402082 0.00262935 0.00364906 -0.00120626 0.03736355 0.02206890 -0.00785354 0.00206054 0.00357776 -0.00088398 +H 2.90879677 4.36014588 4.91336662 0.01258321 0.00616128 0.00195923 0.07231713 -0.08202607 -0.01094605 0.00118089 -0.02549926 -0.00193719 +C 4.00700019 7.74772674 6.41984729 -0.00246193 0.00130266 0.00538284 -0.00460178 -0.00305215 0.03251889 0.00382311 -0.00205256 0.00295832 +H 1.91543187 8.10629319 6.56556484 0.01783066 0.02155538 -0.01619308 0.01884260 0.16216528 -0.02998581 0.02227663 -0.01711372 -0.00330764 +C 5.02451304 6.83548383 6.05215207 0.00467681 -0.00406132 -0.00057751 -0.00317738 -0.00682246 -0.00934492 -0.00458745 0.00408087 -0.00114057 +H 4.27981758 8.72978245 6.76499287 0.01549896 0.00214037 -0.01359582 0.04229637 0.02061115 -0.05631614 -0.00786976 -0.00131799 0.00004734 +C 4.66223402 5.60900549 5.42568900 0.00135178 0.00389438 0.00066820 -0.02094536 0.01428801 -0.00473685 -0.01121525 -0.00045747 -0.00059853 +N 6.27254628 7.35473754 6.09250531 0.00019476 0.00169058 0.00556535 0.02797734 0.03123003 0.04123701 0.00611901 0.00463009 0.00568115 +C 3.28363331 5.27255471 5.39772493 -0.01336324 -0.00570796 -0.00406467 -0.05714846 -0.02606664 -0.02350274 0.00029084 -0.00160671 -0.00300990 +H 5.41890027 5.03066970 4.83168002 -0.00981249 -0.02522101 0.00380104 -0.11409041 -0.12818893 0.18895563 0.00377443 -0.02226622 0.03026650 +C 7.47301031 6.86015838 5.80457076 -0.00190417 0.00358779 0.00327764 0.02661153 0.01657780 0.03033931 0.00930708 -0.00048991 0.00434064 +H 6.40376564 8.30639288 6.37289926 0.01259861 0.02348897 0.02173909 -0.06142362 -0.02179867 0.12601720 -0.02217295 -0.01000763 0.01893866 +O 7.76309179 5.76471198 5.41201006 0.00312388 -0.00222024 0.00033795 0.00681820 -0.02550244 -0.00339558 -0.00143464 -0.00350635 -0.00066392 +C 8.67825987 7.73398008 6.14963806 0.00616365 0.00142608 -0.00441280 0.02432787 0.02858936 -0.03826431 0.00478460 0.00805370 -0.00403436 +H 9.60128833 7.34429594 5.80917395 0.00942268 0.01432906 -0.00303206 0.08941261 0.03707799 -0.06886095 -0.01297251 0.00226187 -0.01085585 +H 8.48550247 8.68097912 5.72832432 0.00831690 0.01284838 -0.00819596 0.10339251 0.07916467 -0.07050230 0.01807661 -0.00927086 -0.00119598 +H 8.67537207 7.88385508 7.18225153 0.02935353 -0.00072918 -0.01426710 0.22070366 -0.00533757 0.04808060 0.02205116 -0.00409512 -0.01601476 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99978003 5.80700583 5.81229741 -0.00595551 -0.00075059 -0.00107590 -0.03432425 0.00800813 -0.00722678 -0.00400169 0.00126426 -0.00218919 +C 2.31589959 6.16908199 5.77469802 0.00326495 -0.00387436 -0.00363209 -0.01529480 -0.01636951 -0.00524478 -0.00821526 -0.00024538 0.00235315 +H 0.71178462 5.06917276 5.29019273 -0.00660929 0.02061686 0.01077331 -0.02891229 -0.01957983 -0.02543137 0.00653568 -0.00117209 -0.00005805 +C 2.63855136 7.47612101 6.24144810 -0.00545991 -0.00110133 0.00132679 -0.04201365 -0.02282885 0.00343490 -0.00343580 -0.00665558 -0.00048298 +H 3.13722120 4.22198105 5.13846929 -0.00208554 0.00558489 -0.00146320 -0.14207798 -0.04756933 0.01412838 -0.02488165 0.00906643 0.01332717 +C 3.95903217 7.81438400 6.43512919 -0.00154723 0.00194648 0.00082965 0.00801596 0.00071881 0.00983057 0.00376824 -0.00389397 0.00123502 +H 1.88657851 8.25193157 6.48935224 -0.02302060 -0.01343452 0.00364733 -0.12400387 -0.18466437 0.01059145 -0.02197519 -0.01748522 0.00486223 +C 4.96763134 6.87665742 6.14307190 0.00910230 0.00006022 0.00403358 0.06754819 -0.02003937 0.00860567 0.00667661 -0.00364022 -0.00107942 +H 4.18028858 8.79065778 6.86415630 0.00856761 -0.00458074 0.01003349 0.04999617 -0.01787884 0.00126041 0.00335416 0.00537510 -0.00651374 +C 4.66707182 5.55215159 5.65809284 0.00151873 -0.00240049 -0.00257089 -0.00557050 -0.00589871 -0.00159656 -0.00235817 0.00167093 0.00198176 +N 6.28320223 7.34837516 6.17447880 0.00923780 0.00128077 0.00187726 0.05041670 0.03774831 0.01234386 0.00547269 0.00802570 0.00091554 +C 3.30094229 5.19504517 5.50376143 -0.00943784 -0.00230348 -0.00000988 -0.01887900 -0.00236201 -0.00570003 0.00341528 -0.00112812 -0.00228451 +H 5.38731646 4.75992834 5.48813856 0.01835926 -0.01005518 -0.00419278 0.05196382 0.09692104 -0.05473789 -0.00354276 0.02389361 -0.01221645 +C 7.49446375 6.85563475 5.85560643 0.00206888 0.00958363 -0.01162233 0.02218453 0.03791091 -0.06624305 0.00273367 -0.00060901 -0.00650900 +H 6.25473828 8.33964654 6.31534994 -0.00487038 0.01776226 0.00306626 0.07843959 0.01064941 0.04872082 0.02430984 -0.00034147 0.01283184 +O 7.72209839 5.68415245 5.60181464 -0.00538753 -0.00053745 0.00713461 -0.03910864 -0.00250043 0.04627014 -0.00537672 0.00041379 0.00573529 +C 8.68467869 7.83535564 5.82673742 0.00224217 -0.00307353 -0.00417897 0.00360200 -0.02647575 -0.01578051 0.00124704 -0.00185461 0.00137281 +H 8.88964585 8.17069042 6.79093328 0.00792613 -0.00385586 0.03741969 0.00424086 -0.02819835 0.02220370 -0.01144814 -0.01148612 -0.04545217 +H 9.54495374 7.32021826 5.36206137 0.01766160 0.01533325 0.00512010 0.08409477 0.12937173 0.03998163 0.00857549 0.00925379 0.00356699 +H 8.18274956 8.55576715 5.13825571 0.01486410 -0.01086804 0.00190097 0.25774208 0.10845308 0.01825170 0.04622269 0.03963042 0.00131649 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.84144111 5.84407112 5.82149592 0.00288370 -0.00067904 0.00500246 0.05415189 -0.00206397 0.03053916 0.01047033 -0.00023041 0.00357064 +C 2.25081591 6.07610428 5.96410865 0.00059437 -0.00207085 0.00649406 -0.01799022 -0.03019805 0.03044788 -0.00255920 -0.00583556 0.00211492 +H 0.65323700 5.51619099 4.98488505 0.01640271 -0.00793234 -0.01171553 0.07795658 -0.02717941 0.03684669 0.00514703 -0.00000364 0.02226267 +C 2.77160449 6.76933629 7.06157319 0.00255784 0.00497255 -0.00209130 -0.00335462 0.03737698 -0.00895962 -0.00454892 0.00495857 -0.00079593 +H 2.89304757 5.11201469 4.06400498 0.00484980 0.00468297 -0.02692618 -0.02919093 0.06170234 0.02946574 -0.02179297 -0.00391342 0.00739702 +C 4.14149684 7.12493924 7.17983709 -0.00326894 -0.00098847 -0.00577021 -0.02580731 -0.02525526 -0.02430581 -0.00130431 -0.00680524 -0.00532265 +H 2.03916249 7.01575157 7.82548436 0.00073191 0.01253512 -0.00848447 0.05257156 0.14751288 -0.01676573 0.00821519 0.02816252 0.00641610 +C 5.07084611 6.66805200 6.25980610 0.00340431 0.00348594 -0.00828101 0.00160843 0.00654513 -0.07857001 -0.00490469 -0.00036126 -0.01022778 +H 4.40663918 7.58228391 8.18304820 0.00002970 -0.01232562 -0.02002566 0.06915835 0.03585401 -0.16126030 0.02179622 0.03373882 0.00514002 +C 4.58277870 5.88509844 5.14860118 -0.00327573 0.00098676 -0.00267372 -0.02723345 0.03514867 -0.02463386 -0.00665193 0.00793861 -0.00347937 +N 6.41113327 6.98322422 6.44948973 -0.00350839 -0.00438229 0.00097830 -0.00932014 -0.02302861 0.00407994 0.00168812 -0.00222896 -0.00060867 +C 3.18353934 5.60309593 5.01200889 -0.00860625 -0.00398148 0.00243702 -0.03103407 -0.02000468 -0.00464173 0.00080199 0.00024118 -0.00077604 +H 5.25719499 5.75329129 4.26099954 0.01018731 0.03133388 -0.00574032 -0.02217244 0.03153328 0.07910763 0.00390568 -0.02696643 -0.00483947 +C 7.48306772 7.06880931 5.61979373 0.00211909 -0.00319116 -0.00002489 0.00972056 -0.01334152 0.00160448 0.00005267 0.00022643 0.00311860 +H 6.55696168 7.31231267 7.37673212 -0.01656297 -0.00807523 0.01053521 -0.01864593 -0.07175047 0.03140590 0.00972658 -0.01360384 -0.00693327 +O 7.49644461 6.88780132 4.38244549 0.00342395 0.00167303 0.00236862 0.01410086 0.00731621 0.02664537 0.00064678 0.00022918 0.00418328 +C 8.80290801 7.52538842 6.24158282 -0.00154299 0.00101122 0.00136910 0.00090644 0.02771992 0.02400941 0.00294158 0.00353850 0.00454582 +H 9.29623538 8.26281961 5.59164509 -0.00428905 0.00838067 0.01975578 -0.06838577 0.06010575 0.02738678 -0.00948338 0.01049834 -0.01331792 +H 8.74099669 8.08889557 7.17241866 0.04863054 0.00927344 0.02303426 0.16220961 -0.10256010 0.06479000 -0.00901624 -0.03223883 0.00425056 +H 9.55574784 6.77346665 6.30315649 -0.01580004 0.00457099 -0.00925031 -0.06694947 -0.11295689 -0.04188721 -0.01569745 -0.01116654 -0.00603183 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04471789 5.75006994 5.80680435 0.00704484 0.00638211 0.00255874 0.02041536 0.03124203 0.01496265 0.00053228 0.00174405 0.00113589 +C 2.35434455 5.95605502 5.79230395 0.00251493 -0.00218952 -0.00311149 0.03928706 -0.01216028 -0.03486880 0.00607708 -0.00038158 -0.00544802 +H 0.39674406 6.41036679 6.12334329 0.01254713 0.00804297 0.01439770 0.21277936 0.08392751 0.14403120 0.02789046 0.02974133 0.03423013 +C 3.13484848 5.40134245 4.74328691 -0.00411301 -0.00352813 -0.00993388 -0.02665868 -0.01447169 -0.04415931 -0.00396295 -0.00297326 -0.00529853 +H 2.41302241 7.01945501 7.60797778 0.01413419 -0.02583856 0.01107404 0.02949347 -0.02917987 0.08499296 -0.00046300 0.01391203 -0.00706982 +C 4.48744506 5.69934994 4.69165392 -0.00162130 -0.00026023 0.00164455 -0.02308945 -0.01016017 -0.02294142 -0.00249745 -0.00270051 -0.00584291 +H 2.77563548 4.78695694 3.97574759 0.00942298 -0.01558595 0.01432068 -0.10029315 -0.14918960 0.00167239 -0.01976834 -0.00034027 0.01234119 +C 5.06093971 6.54186142 5.60497017 -0.00193581 -0.00086897 -0.00161418 0.04128449 0.00639632 0.00248778 0.00954065 0.00147183 0.00183900 +H 4.95719540 5.43667213 3.73213543 0.00980023 -0.03873033 0.02345042 0.14800834 -0.31223924 0.25449000 0.02490701 -0.04275492 0.03536273 +C 4.33912141 7.11104013 6.66535157 -0.00368856 -0.00412763 0.00559285 -0.03468115 -0.04104668 0.01802439 -0.00311764 -0.00517793 0.00014853 +N 6.46120922 6.71911940 5.41921411 0.00534292 0.00029224 0.00162223 0.01680201 0.00434367 0.01296818 -0.00181434 0.00124990 0.00350670 +C 2.98419827 6.74116798 6.76148930 -0.00306891 0.00393587 -0.00348354 -0.02453418 0.02231816 -0.01163611 -0.00441102 0.00149109 0.00097408 +H 4.76907662 7.76819309 7.38236746 -0.01739132 -0.00328296 -0.00849613 -0.06692746 0.00728932 0.06232843 -0.00745819 -0.01189164 0.01011248 +C 7.36684039 7.27080453 6.27445520 -0.00652317 0.00468864 0.00218856 -0.03485445 0.03457820 -0.01847456 -0.00156633 0.00571127 -0.00585207 +H 6.82853035 6.42247554 4.50779697 0.00882292 -0.01426221 -0.00907259 0.03389793 -0.05587079 0.09566454 0.01122655 -0.00998945 0.00889237 +O 7.05940826 7.73100321 7.36237746 0.00642962 0.00011243 0.00245883 0.04937135 0.00257566 0.02597260 0.00696362 0.00051622 0.00443128 +C 8.78799466 7.42219398 5.68836869 -0.00522139 0.00164163 -0.00301229 -0.04176753 -0.00896950 -0.00827568 -0.00817707 -0.00039121 -0.00005102 +H 9.46417768 7.93716064 6.37113715 -0.02090382 -0.00801713 0.00638230 -0.11341723 0.00220579 0.06527213 -0.00736005 -0.00277224 0.00888609 +H 9.29054614 6.41335214 5.60378389 -0.02977929 -0.01297203 -0.02275010 -0.25247497 0.00333171 -0.15270253 -0.02152251 -0.01232684 -0.02075996 +H 8.79794282 7.87596756 4.70618402 0.00712711 0.01194424 0.00827606 0.01910771 0.13281596 0.04233924 -0.00452314 0.01833345 0.01363797 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99726756 5.77917841 5.82366077 -0.00028330 -0.00015771 -0.00408593 -0.02348618 -0.00355210 -0.03332172 -0.00417116 0.00138376 -0.00209985 +C 2.28288986 6.09356823 5.94803077 -0.00052310 0.00387083 0.00211450 0.02427455 0.02511330 0.00596615 0.00349291 0.00091175 -0.00278326 +H 0.73181423 5.32486329 5.00883711 -0.03588139 -0.01479613 -0.00681936 -0.10534112 -0.02239005 0.06802372 -0.00523774 -0.01590381 -0.01613134 +C 2.72591723 6.80826090 7.09626728 0.00527399 -0.00720519 -0.00314298 0.02938515 -0.04720489 -0.01407136 0.00274781 -0.00408970 0.00192226 +H 2.83731105 5.43966753 4.00404425 0.00520503 -0.00538744 -0.02285407 0.09984292 -0.08843862 0.01940304 0.01140849 -0.02145462 0.01845562 +C 4.12389843 7.03106856 7.20385006 0.00364640 -0.00663912 0.00051794 0.01848516 -0.04208096 0.02269325 0.00058855 -0.00511100 0.00526857 +H 2.05246869 7.09128839 7.82224757 -0.02858776 0.02846613 0.01669262 0.02056264 0.06583252 -0.05019321 0.04015918 -0.01715356 -0.03697823 +C 5.09131468 6.62701460 6.20334844 -0.00572534 0.00087288 0.00129143 -0.02615355 0.02414708 0.05030468 -0.00020560 0.00493188 0.01079270 +H 4.36407302 7.48419961 8.17250760 0.00945216 0.01129677 0.00654330 0.13335111 0.04302001 -0.11329949 0.02492090 0.00751472 -0.01554379 +C 4.58752799 6.00260785 5.04669114 -0.00134965 0.00216753 0.00212655 -0.00251588 0.02898503 0.03208488 0.00210917 0.00447996 0.00263125 +N 6.44084388 6.96830371 6.52220998 -0.00040733 0.00737803 0.00679902 -0.03324169 0.04082768 0.01169401 -0.00706742 0.00604326 -0.00032156 +C 3.23634850 5.76404495 4.94653087 0.00229032 -0.00009875 0.00470515 -0.02560982 -0.00569853 0.00486005 -0.00604414 -0.00094182 -0.00228538 +H 5.19398383 5.80157835 4.24534532 -0.02138655 0.01178552 0.01791150 0.04045604 -0.02104488 -0.07885972 -0.00119372 -0.00347115 0.01072969 +C 7.45905217 7.05651583 5.64245857 -0.00393727 0.00258216 -0.00047793 -0.02338250 0.01440452 0.00724753 -0.00187270 0.00037466 -0.00111154 +H 6.52141290 7.25609090 7.45073102 0.00636649 0.01923727 -0.01278168 0.13546281 0.17206011 0.01158356 0.01319941 0.00922487 -0.02557272 +O 7.37252116 6.71943336 4.49503258 0.00224621 -0.00391532 -0.00873213 0.01819618 -0.02631100 -0.06299855 0.00278188 -0.00281309 -0.00648042 +C 8.74763547 7.63783384 6.17289811 0.00498982 0.00061511 0.00021248 0.02756041 -0.01227170 0.01386447 0.00211608 -0.00421225 -0.00016328 +H 9.00587132 8.51655282 5.59579457 -0.00532613 -0.01569371 -0.00379244 0.00771930 0.01152160 -0.01841090 0.00886760 0.00548501 0.00683174 +H 8.60150702 7.87959531 7.28311405 -0.02099845 -0.01486518 -0.00041032 -0.04142537 -0.02100943 -0.09592924 0.00363867 0.02091330 0.01513671 +H 9.58327184 6.95403682 6.06636713 0.01007243 -0.01222869 0.02693458 -0.00741105 -0.05885561 0.15895207 -0.01044245 -0.00287492 0.01367397 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95920135 5.81047075 5.91089015 -0.00563007 -0.00357060 0.00369512 -0.03792460 -0.02914419 0.01575138 -0.00299459 -0.00349542 0.00326928 +C 2.28335006 6.08023785 5.97955981 0.00211645 0.00094527 -0.00030698 0.00036255 -0.01053725 -0.00964271 -0.00421910 -0.00389257 -0.00128529 +H 0.64527011 5.48642675 5.05835872 -0.00392988 -0.01384366 -0.01488421 0.03166329 -0.04266322 0.04585135 -0.00279017 -0.01431602 -0.01131371 +C 2.80687405 6.61873259 7.12756857 0.00527754 -0.00308390 -0.00022670 0.02279132 0.00039872 -0.00062576 0.00003850 0.00329557 0.00132030 +H 2.79775623 5.16378553 4.17715529 -0.00791897 0.01101165 -0.00805655 -0.05001700 0.04048848 -0.16527348 0.00524726 0.01987813 -0.00075848 +C 4.13329597 7.07396320 7.18370536 0.00256769 0.00803585 -0.00736299 -0.00385807 0.05544775 -0.01220335 -0.00346779 0.00655159 0.00234951 +H 2.05036805 6.80367163 7.85653797 0.00400767 -0.01806026 -0.01200439 0.07685825 -0.04942108 0.10734374 0.02586356 0.00119347 0.02567826 +C 5.01372023 6.77954967 6.13744265 -0.00338585 0.00543202 0.00975321 -0.01844290 0.02153475 0.03416378 -0.00022545 -0.00036682 -0.00327323 +H 4.34232704 7.60347293 8.13759480 0.01477573 -0.00050746 -0.00464667 0.20141482 -0.00573155 -0.10801868 0.03605319 0.01165428 -0.00056280 +C 4.48260785 6.07703072 5.06680023 -0.00017828 -0.00133907 -0.00478905 0.03366247 -0.00865986 -0.03091228 0.00784948 -0.00100943 -0.00275094 +N 6.34828848 7.04818378 6.31010013 -0.00149451 0.00259509 0.00030073 0.00508461 0.02780134 0.03458195 0.00245823 0.00443967 0.00655136 +C 3.16265191 5.73078718 4.95336729 -0.00506032 -0.00110299 -0.00319179 -0.04460763 -0.00723686 -0.02736726 -0.00492788 -0.00198440 -0.00843215 +H 5.18747099 5.72227420 4.35340826 0.01915640 0.00291991 0.02031528 0.09808100 0.00526102 -0.02430721 -0.00478026 0.00335022 -0.01791889 +C 7.48293880 7.05828272 5.62730600 0.00433459 0.00070881 0.00558304 0.02799477 -0.01451973 -0.02379205 0.00194645 -0.00355445 -0.00811167 +H 6.61021244 7.25745123 7.28027685 -0.00264752 -0.00408496 0.00717188 -0.09239346 0.02821735 0.01863166 -0.01089877 0.01805514 0.01993467 +O 7.64834997 6.67491901 4.44124907 0.00125334 -0.00079040 -0.00277527 -0.00458445 0.00020538 0.00200970 -0.00223777 0.00043865 0.00215195 +C 8.70004317 7.57042176 6.31790843 0.00513257 -0.00187007 -0.00143444 0.02232972 -0.00725384 0.02872556 0.00263920 -0.00481198 0.00746887 +H 8.41962103 8.32791600 7.07761102 -0.02290632 -0.01037161 0.02114392 -0.06798293 -0.10485687 0.00468880 0.00187404 -0.00215505 0.00020947 +H 9.15672856 6.84134495 6.88375016 -0.00915190 -0.02489509 -0.00145014 0.01642818 -0.19050308 -0.05962093 0.00067710 0.00813849 -0.03359789 +H 9.43741298 8.02285020 5.64471353 -0.02989234 -0.00107126 -0.00282639 -0.08939956 0.04457997 -0.08540966 0.00201063 0.00980867 -0.00725046 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00136343 5.80641523 5.74602053 0.00890090 -0.00350323 -0.00010589 0.06580154 -0.01240493 0.00053321 0.00821974 -0.00251690 -0.00072016 +C 2.31998111 6.18111969 5.82039655 0.00466102 0.00760883 0.00805043 0.00700985 -0.00309900 0.04286398 -0.00281714 -0.00538415 0.00427998 +H 0.93171843 4.95931307 5.34041217 0.01569614 0.01654429 0.01018911 0.05960370 -0.05456467 0.01092771 0.00528673 0.00138445 0.00813073 +C 2.60607577 7.49372921 6.10726470 -0.00802532 0.00064206 -0.00499029 -0.03147814 0.03314231 -0.02034978 0.00102501 0.00683709 -0.00135028 +H 3.10775821 4.16853589 5.41536927 0.00753736 0.00824875 0.00244923 -0.01995322 -0.03206440 0.04902986 -0.00919214 0.01760218 0.01728852 +C 3.95288855 7.85126880 6.19824835 -0.00080809 -0.00323501 0.00219921 0.01557942 -0.01488184 0.00242770 0.00333849 -0.00248458 -0.00151722 +H 1.85444077 8.24862124 6.29932663 -0.02091517 0.01230639 -0.01370269 -0.08308338 -0.02108782 -0.17344705 -0.00536655 -0.00840741 -0.02879196 +C 5.00455858 6.86732173 6.12715527 0.00750457 -0.00421293 -0.00629643 0.02054340 0.00533608 -0.03582957 -0.00250987 0.00451947 -0.00342181 +H 4.17467865 8.92844929 6.22347383 0.00998528 0.01462172 -0.00122846 0.04494548 -0.08586181 0.07963932 0.00768600 -0.00985551 0.02211290 +C 4.63221476 5.52399190 5.97710632 -0.00148349 0.00258417 0.00009761 0.01220000 -0.00252935 -0.00837352 0.00490619 -0.00347947 -0.00322542 +N 6.31276870 7.35647354 6.22523239 0.00149266 -0.00376428 -0.00215046 0.00149240 -0.02007515 -0.00330276 -0.00184571 -0.00120046 0.00129382 +C 3.33286555 5.15972224 5.66911404 -0.00337962 0.00202365 0.00173146 -0.03559687 0.04742511 0.02654740 -0.00407019 0.00624445 0.00552116 +H 5.32610462 4.74156785 6.06568758 0.00211075 -0.00869844 -0.00797143 0.06118508 -0.00968470 -0.12245346 0.00072655 0.01663411 -0.02370305 +C 7.51236584 6.84713875 5.88484151 -0.00652164 -0.00501730 0.00299363 -0.04953180 -0.03771920 -0.00029875 -0.00451791 -0.00316645 -0.00286584 +H 6.33679469 8.28078886 6.58542184 -0.00724927 0.00529115 -0.00569248 0.01468030 0.00556133 -0.05507799 0.01164267 -0.00889436 -0.01035939 +O 7.65699053 5.76518486 5.31682114 -0.00037242 0.00415779 -0.00246496 -0.00599740 0.01819600 -0.01442765 -0.00157994 -0.00027536 -0.00222943 +C 8.67862730 7.74635667 5.99706026 -0.00667550 0.00022835 0.00540717 -0.02332334 0.00626367 0.00508840 -0.00359650 0.00451874 -0.00008444 +H 9.47002747 7.45363078 5.23775064 0.01557068 0.00112517 -0.01545353 0.00130455 -0.06372035 0.24465326 0.01630510 -0.03109200 0.05072025 +H 8.44736263 8.62576006 5.49327275 0.02299617 0.00033620 -0.01881243 0.04356010 0.11635883 0.00989140 -0.00413697 -0.00150824 0.03431908 +H 8.99065309 7.92046612 7.00418238 -0.02634338 -0.01526593 0.01137141 -0.08416064 -0.07228280 0.07937124 -0.00448332 -0.00548286 -0.00913814 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.07478981 5.61273075 5.97809889 0.00878533 -0.00050927 -0.00770985 0.04256421 -0.00632109 -0.05078576 0.00288025 -0.00245859 -0.00749959 +C 2.33647986 6.03246303 5.94270257 0.00134772 0.00088851 0.00084007 0.01076682 0.03634530 0.04166835 0.00321143 0.00768707 0.00767020 +H 0.90092236 4.99286798 5.27176942 0.03611309 0.00348849 0.01280771 0.17978289 -0.09561587 -0.01774447 0.01544478 -0.01330823 -0.00055699 +C 2.74502381 6.98610802 6.90209307 -0.00135307 -0.00063004 0.00479223 -0.02596096 0.00138619 0.04091172 -0.00111545 0.00175500 0.00617990 +H 2.92707989 5.00195649 4.18958689 -0.00439614 -0.00075406 0.03167906 -0.04553809 -0.14161757 0.09705902 0.00029636 -0.02557353 0.00184975 +C 4.03614456 7.43932380 6.94098274 0.00565250 0.00469795 -0.00443710 0.04934113 0.05082828 0.00332218 0.00326305 0.00765970 0.00457661 +H 2.03998629 7.43685787 7.61579920 -0.01780904 -0.01343328 0.01603979 -0.04728584 -0.17599413 0.04303389 -0.00759961 -0.02170182 0.01207122 +C 4.99936407 6.95298833 6.04218688 -0.00040668 0.00411808 0.00082700 0.00705505 0.04957032 0.00059880 0.00155415 0.00683652 -0.00355139 +H 4.33825938 8.13636680 7.71302292 0.02020558 0.01906186 0.02002058 0.04540851 0.01864781 -0.03617118 0.00067197 0.00251700 -0.01117894 +C 4.53124127 6.10874058 5.06226879 -0.00633112 -0.00593665 -0.00020599 -0.00376075 -0.04584013 -0.01733552 0.00652553 -0.00377981 -0.00134401 +N 6.32025117 7.50189876 6.09363244 -0.00358873 0.00173958 0.00531691 -0.01082918 0.00204218 0.03510343 -0.00068391 0.00075404 0.00533384 +C 3.21758335 5.61925791 5.02299428 0.00230783 0.00138704 0.00070717 0.02249570 0.00118645 -0.01387844 0.00064943 -0.00192510 -0.00305278 +H 5.22392670 5.79338811 4.27541270 0.00950266 -0.00662280 0.00799933 -0.01249854 -0.07711739 0.04270510 -0.00106794 -0.02251186 -0.00984823 +C 7.49081742 6.92475974 5.71129911 -0.00311785 -0.00097130 -0.00218091 -0.05347012 -0.01102319 -0.00527138 -0.00887637 -0.00252546 0.00057124 +H 6.58367030 8.30145106 6.59326248 -0.00789710 0.01741548 -0.00148865 -0.21346867 0.08752195 0.02233478 -0.04097362 -0.01331248 -0.00436450 +O 7.47666654 5.90234521 5.04896605 -0.00543269 -0.00465260 -0.00429246 -0.02323274 -0.03140829 -0.02955782 -0.00159636 -0.00339029 -0.00356168 +C 8.75555149 7.55912083 6.25963502 -0.00146261 -0.00052899 0.00045600 0.00114216 -0.00081017 0.00279757 -0.00268783 -0.00328284 -0.00034068 +H 8.61875696 7.95951898 7.30769230 -0.00631949 -0.01423480 0.02756935 -0.03689664 -0.06198664 -0.08252992 -0.00699698 0.00890462 -0.01031325 +H 9.60162426 6.83476659 6.40357011 0.01061957 0.01167636 0.00128370 -0.02748547 0.04795589 -0.07054022 0.00283902 -0.01441577 -0.01720080 +H 9.13486754 8.31663376 5.46528600 -0.00328866 0.00511914 -0.00880709 -0.08903707 -0.00416168 0.15996942 -0.00356333 0.03370434 0.01338231 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97937321 5.70309976 5.94464914 0.00207934 0.00635231 0.00151335 0.02062989 0.04037207 0.01187965 0.00308889 0.00422010 0.00222772 +C 2.30961092 6.10389416 5.93085734 0.00162339 0.00002975 0.00162601 0.00925838 -0.00229056 0.00162840 0.00247504 -0.00040678 -0.00176372 +H 0.78268921 4.89427764 6.32467332 -0.01148283 -0.00791436 -0.00999181 0.00663490 -0.01212363 -0.10893171 0.01549190 0.01306514 -0.02520253 +C 2.58155989 7.46180820 6.01650571 0.00102414 0.00042196 -0.00833769 0.00619419 0.01872859 -0.05472681 0.00062872 0.00156731 -0.00627294 +H 3.11747309 4.19881958 5.47715401 0.01584535 -0.02544189 0.01982868 0.17641496 -0.03338300 0.13809340 0.02515185 0.00142897 0.01300047 +C 3.90413382 7.98912209 6.01673926 -0.00453088 -0.00375614 0.00747876 -0.00885442 -0.05271551 0.04791666 0.00176622 -0.00998038 0.00503467 +H 1.73356214 8.18331477 6.01664826 0.00300465 -0.01685744 0.00170362 -0.00565589 -0.06198982 0.03238489 -0.01627604 0.01643790 0.00300737 +C 4.99313315 7.02776412 5.98372999 -0.00300763 -0.00043967 0.00225615 -0.02880125 -0.02256620 0.00545208 -0.00236550 -0.00390405 0.00007282 +H 4.08379561 9.07341606 6.06206906 -0.00521818 -0.00999847 -0.02644621 -0.02807939 -0.07304260 -0.08306072 0.00137668 -0.00127382 0.00891931 +C 4.69548317 5.64076577 5.68539741 0.00068976 0.00460063 -0.00250678 0.01379577 0.05929347 -0.01160941 -0.00101427 0.00939717 -0.00143193 +N 6.31629440 7.37919353 6.20310705 -0.00134916 -0.00760623 -0.00041332 -0.01481357 -0.02134887 0.00387615 -0.00464873 0.00295637 0.00232435 +C 3.37524656 5.22873453 5.68473410 0.01077763 0.00162342 -0.00018032 0.03465508 -0.02040042 0.00255950 -0.00069589 -0.00449140 0.00201467 +H 5.56266459 4.93716577 5.49003986 -0.02065768 0.00741647 -0.01951249 -0.17388392 -0.02272400 -0.08124464 0.01011414 -0.02389384 -0.00617894 +C 7.49128802 6.79321190 5.88209821 -0.00685741 0.00493756 0.00251998 -0.02876050 0.02057880 0.01269572 0.00087780 -0.00148418 -0.00024167 +H 6.48041515 8.22050788 6.65862268 -0.00327019 0.00330132 0.02085230 -0.08513085 -0.02416542 0.05769463 -0.01813281 -0.01918845 -0.01028051 +O 7.66208068 5.69523143 5.38295291 0.00139201 -0.00135167 0.00118334 0.00356110 -0.00524053 0.00877264 -0.00101796 0.00073889 0.00177587 +C 8.70007459 7.65359591 6.17267805 -0.00063499 0.00082344 -0.00595575 0.00150898 0.00045170 -0.02726764 -0.00395572 0.00171805 -0.00201276 +H 8.65469796 8.12093042 7.15952493 -0.00012964 -0.00612668 0.03182623 0.04060441 -0.13689787 -0.01796737 0.01058278 -0.01972721 -0.02177606 +H 9.64020554 6.96330687 6.04096699 0.00411467 -0.01370521 -0.00806080 -0.11532174 0.10289524 -0.01219436 0.01878031 -0.00031357 -0.00566422 +H 8.69653116 8.44718660 5.41763577 -0.00764168 -0.00254560 -0.01032390 0.01826187 -0.01238359 -0.02818236 0.01184959 0.00404622 0.00315336 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96825375 5.74060806 5.79424652 -0.00094862 0.00053347 -0.00190919 -0.01647998 0.00741326 -0.00979274 -0.00245617 0.00331496 0.00091245 +C 2.28780450 6.08506865 5.92197624 -0.00233563 -0.00372728 0.00264175 -0.00156994 -0.02796692 0.00941954 0.00148630 -0.00331902 0.00000128 +H 0.63305435 5.15451259 5.08736476 -0.02105144 -0.01797437 0.00579507 0.04015867 -0.07988099 0.10898295 0.01661126 -0.03341718 -0.00401530 +C 2.69269025 7.25456162 6.61991986 0.00477617 0.00055933 -0.00699412 0.00406104 0.01209833 -0.04357476 -0.00621605 0.00529648 -0.00249444 +H 3.09806043 4.31044780 4.81840221 0.01490854 0.02550050 0.00353496 -0.00252715 0.06103986 -0.04520722 -0.01662202 -0.02206907 -0.02157524 +C 4.01255941 7.71665585 6.72742634 0.00347273 0.00097818 -0.00117275 0.03085991 -0.01635864 0.00794055 0.00440205 -0.00418566 0.00444599 +H 1.97585687 7.80202064 7.04419245 -0.00095944 0.00663436 0.01007681 -0.04197976 0.06723374 0.05887059 0.02688464 -0.01813343 -0.02114747 +C 5.02617624 6.87050518 6.21162009 0.00486410 0.00748071 0.00506138 0.00996268 0.02055316 0.00328116 -0.00086470 -0.00282548 -0.00483388 +H 4.20963915 8.55948641 7.34293748 0.01516106 -0.01771948 0.02643203 0.09874131 -0.06315635 0.08280190 0.00617358 -0.00802106 -0.01184733 +C 4.63584675 5.69296241 5.49888162 0.00358022 0.00250337 -0.00089428 0.01286719 0.02515606 0.00167595 0.00308022 0.00083505 -0.00094045 +N 6.34901190 7.16477336 6.40636260 0.00094606 -0.00550715 -0.00297839 0.02403165 -0.02313923 -0.00641743 0.00509220 -0.00120980 0.00126637 +C 3.28991397 5.27753127 5.36258107 -0.00324719 -0.00400228 -0.00095176 0.00347356 -0.00239638 0.00180769 0.00495082 0.00454948 0.00188268 +H 5.35207737 5.11563662 5.07507017 -0.00423958 0.00301074 0.00425046 0.08657819 -0.07732864 -0.02406738 -0.01451738 0.01377763 0.01317923 +C 7.44282698 6.89737725 5.66673600 -0.00355922 0.00048300 -0.00481192 0.01350828 0.02797694 0.00850306 0.00582302 0.00567578 0.00570650 +H 6.57111706 7.74464983 7.19795775 0.02312137 -0.01530908 0.01845429 0.05556292 -0.15609274 0.03483153 -0.00464797 -0.01840728 0.00539522 +O 7.56421420 6.33269710 4.60458453 -0.00450221 0.00191581 0.00603879 -0.04298204 -0.00128075 0.02309649 -0.00728546 -0.00207408 0.00045227 +C 8.74205360 7.54258162 6.27487836 -0.00322450 -0.00321625 -0.00198402 -0.03937048 -0.00317426 -0.01823537 -0.00473802 0.00341689 -0.00078041 +H 9.36048237 6.97461234 6.93054846 0.01430068 0.04140615 0.00379221 0.02840933 0.07914599 0.07005894 -0.02683820 -0.00984489 0.00097380 +H 9.36175002 7.88573673 5.43222562 -0.00607065 -0.01236759 0.02220315 0.04620713 -0.07551936 0.01052833 0.01266909 -0.00849910 -0.01840607 +H 8.51070199 8.45174597 6.77324214 -0.01335711 0.01185414 -0.01019618 -0.10396831 0.04112927 -0.07105768 -0.01027007 -0.01079560 -0.01741053 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01902384 5.88535938 5.81779029 0.00669585 -0.00140542 0.00102144 0.01916018 -0.01797267 0.00580730 -0.00283774 -0.00410005 0.00297497 +C 2.33619629 5.98729280 5.77298701 -0.00383727 0.00298375 -0.00010402 -0.00610679 0.04363382 0.00498979 0.00291397 0.00883736 0.00141534 +H 0.72986447 5.58861108 6.65255869 0.00272037 0.03532729 -0.01099317 -0.04324080 0.17979072 0.07112003 0.00113033 0.02381697 -0.00698790 +C 2.79111946 6.77710570 4.71667150 -0.00091087 -0.00200598 -0.00021431 -0.00266319 -0.00808357 -0.03013250 0.00324722 -0.00161191 -0.00459719 +H 2.85470964 5.22574295 7.75082900 0.00917167 0.00595557 0.01440227 -0.02398502 0.04346416 0.07147636 -0.00933654 0.01364873 -0.01940675 +C 4.13775409 7.10790583 4.61172995 0.00260895 0.00166561 -0.00225260 0.01787695 0.00485699 -0.01993308 0.00338835 -0.00043147 -0.00290756 +H 2.14317065 7.16269632 3.87714969 -0.01476408 0.00405776 -0.01893690 -0.02244762 -0.10697809 0.09199974 -0.01977905 -0.01422265 0.00105132 +C 5.07014451 6.73117503 5.57313593 0.00166740 0.00121282 0.00567901 0.00581184 -0.00154265 0.04370056 -0.00224384 -0.00147230 0.00486189 +H 4.39520738 7.63957546 3.72329008 0.01564472 -0.00740927 -0.00109544 0.14522017 0.00355740 -0.00895260 0.01513017 0.00147331 0.00765814 +C 4.55196320 6.02500295 6.73058538 0.00421583 -0.00654421 -0.00014776 0.00710653 -0.02306017 0.01561863 -0.00396947 -0.00005776 0.00281848 +N 6.39577357 7.20911960 5.37923686 -0.00376676 -0.00446256 -0.00115646 -0.02832489 -0.03102927 0.02082834 -0.00213251 -0.00189709 0.00545144 +C 3.17586887 5.69635468 6.86896616 -0.00604504 -0.00206938 0.00125250 -0.00971665 -0.01398534 -0.01177184 0.00339760 -0.00203898 -0.00210850 +H 5.07328524 5.94414222 7.70278782 -0.02591344 0.00914767 0.02542956 -0.00536321 -0.03536106 -0.03419959 0.03467778 -0.02130168 -0.01247116 +C 7.45550812 6.98730431 6.19467535 -0.00069638 -0.00032318 0.00175795 -0.01722015 0.01331889 -0.00989662 -0.00262122 0.00387362 -0.00357306 +H 6.42821508 7.95312418 4.73301119 0.00668361 0.00068448 0.01381015 0.10421665 -0.01221608 0.00419022 0.01032418 -0.02455370 0.00212757 +O 7.44041013 6.20714192 7.12790325 -0.00861961 -0.00031312 -0.00404547 -0.05351216 -0.00897709 -0.01902600 -0.00616453 -0.00188206 -0.00149551 +C 8.67975405 7.82155805 5.93031179 0.00906515 0.00836563 0.00019801 0.06379382 0.04263594 -0.01767775 0.00620522 0.00299589 -0.00414149 +H 9.07400643 7.70839875 4.92370369 -0.00039608 0.00823004 -0.02263599 -0.10893902 0.09847614 -0.06052918 -0.02459122 0.02510785 0.00024430 +H 8.55024470 8.89625464 6.09576819 0.01384159 -0.00068148 0.02484731 0.09229327 -0.00434784 0.21119721 0.01371526 -0.00297738 0.02771430 +H 9.49771024 7.38723378 6.54345128 0.00358567 -0.00516817 -0.03426589 0.09945273 0.00412483 -0.12680596 0.02830197 0.00003612 -0.00107352 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01469463 5.78895821 5.81586711 0.01108083 0.00740223 0.00096194 0.06417320 0.03717093 0.00891932 0.00479612 0.00381000 0.00129010 +C 2.34112006 6.14061752 5.88766120 0.00021216 0.00149529 0.00325357 -0.01527019 -0.02159631 0.01809538 -0.00053252 -0.00599110 0.00224791 +H 0.87949878 4.87597275 5.92545650 -0.00721827 -0.01007445 0.00542761 -0.01006879 0.06958535 -0.00502316 0.00245635 0.01103956 -0.00455911 +C 2.62130235 7.40703152 6.27967060 -0.00229926 -0.00469586 0.00296613 0.01094738 0.00732670 0.01380470 0.00545287 0.00336208 -0.00006132 +H 3.10533479 4.21453901 5.25572738 -0.00449204 0.01075962 0.00036058 -0.06380444 -0.05412086 -0.01463750 -0.00791993 -0.01654906 0.00030402 +C 3.98179396 7.81265614 6.26860122 0.00037295 -0.00811600 -0.00507800 -0.02869788 -0.02485071 -0.02226261 -0.00689791 0.00104346 -0.00120208 +H 1.80572202 8.13964325 6.47845597 0.01181238 0.01607894 -0.00906483 0.10253689 0.02846595 -0.02425292 -0.00546728 0.00957841 0.00810799 +C 5.00381129 6.93420654 5.96843074 -0.00397972 -0.00092584 -0.00177248 -0.01603318 -0.01528314 -0.01345953 0.00081885 -0.00176763 -0.00190707 +H 4.20999683 8.84287968 6.48930689 -0.00665853 0.00326685 -0.00441816 -0.04960886 -0.03960222 -0.01086461 -0.00419702 -0.00729362 0.00152780 +C 4.67789787 5.61159228 5.58530909 0.00252614 0.00131882 -0.00369998 0.00775131 0.00329551 -0.01550401 0.00014468 -0.00433339 -0.00063578 +N 6.25692027 7.43077854 6.15166078 -0.00020205 0.00398772 -0.00478921 0.02299730 0.00585443 -0.02710814 0.00539798 -0.00255709 -0.00298266 +C 3.34128849 5.22423595 5.56447544 -0.00395628 -0.00802889 0.00043121 -0.01836075 -0.04420356 -0.00056685 -0.00090214 -0.00412375 -0.00080224 +H 5.41076679 4.91652556 5.31908709 0.00108911 -0.00183783 0.03110459 0.06754375 -0.07426775 0.15029875 -0.00758389 0.00555296 0.01097959 +C 7.46094693 6.81619248 6.00526614 0.00113255 -0.00127855 -0.00256692 0.00006548 0.01598599 -0.04878653 -0.00159831 0.00764816 -0.00931116 +H 6.27692753 8.39959976 6.50266159 0.01769465 -0.01793629 0.00082646 0.12206129 -0.01853944 0.01208451 0.01042357 0.01454134 0.00245764 +O 7.65655238 5.69845331 5.48339369 -0.00467623 0.01045733 0.00117400 -0.03843910 0.06033369 0.01688081 -0.00570630 0.00452299 0.00241014 +C 8.65883662 7.74877603 5.97534339 -0.00039798 -0.00667870 0.00883491 -0.00080352 -0.03358901 0.04588713 -0.00059684 -0.00293664 0.00354498 +H 9.05825403 8.09510742 6.95980601 -0.00185109 -0.01190352 -0.01752460 -0.03657378 -0.10513499 0.06666610 -0.00611912 -0.01329990 0.04131849 +H 9.47187863 7.20711374 5.49353893 0.00620245 -0.02514243 0.00050271 -0.02338743 -0.01312978 0.02069449 -0.00673988 0.01916202 0.00227778 +H 8.42574082 8.64585007 5.44633253 -0.03929066 0.01855670 -0.00278754 -0.11699768 -0.07675122 0.04380866 0.01357273 -0.03487308 0.01713757 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03181510 5.72820251 5.72767726 -0.00063090 -0.00153006 0.00154153 -0.01371843 -0.01507659 0.01125954 -0.00243914 -0.00042140 0.00222324 +C 2.29783851 6.13310571 5.84924962 0.00095509 0.00019535 -0.00092122 0.00045875 0.02319024 -0.00440898 -0.00139469 0.00432011 -0.00113845 +H 0.97593394 4.77399589 5.51722991 0.01770261 -0.00400604 -0.00419900 0.07758326 0.02631845 -0.03055150 0.00091652 -0.02044094 -0.01181100 +C 2.62138752 7.42011068 6.34953194 0.00166564 -0.00261056 -0.00544200 0.01926990 -0.01257438 -0.04002565 0.00333574 0.00182426 -0.00368318 +H 3.14777879 4.24047398 5.20282500 -0.01930616 0.00577391 0.00146182 -0.14512778 0.09793666 -0.09432798 -0.01590935 0.00418528 -0.02928642 +C 3.96650900 7.84141596 6.50440135 0.00898122 -0.00796212 0.00047932 0.04976956 -0.06675677 -0.00930247 0.00254099 -0.00714581 -0.00209726 +H 1.79824032 8.07306556 6.45225660 0.01251463 -0.00746314 0.00718680 0.03875158 0.04132294 0.16613894 0.01842823 -0.00105805 0.02588056 +C 4.99392350 6.93735550 6.07319691 0.00674199 -0.00219698 0.00485038 0.04442770 0.00261481 0.04308154 0.00580517 0.00050793 0.00552971 +H 4.24325405 8.79882471 6.88054065 -0.00830654 -0.00733180 -0.01063247 -0.06057740 0.01167106 -0.05174057 -0.00576944 -0.00976595 -0.00739128 +C 4.60861231 5.70033885 5.60473253 -0.00419246 0.00328942 -0.00067715 0.00801405 -0.00853477 -0.01854737 0.00641453 -0.00361765 -0.00332274 +N 6.32410417 7.36977177 6.08930382 0.00388090 0.00858189 -0.00264580 0.00222564 0.07652757 -0.02004718 -0.00187966 0.01049778 -0.00253761 +C 3.29554663 5.30252398 5.44119740 0.00022443 0.00501305 -0.00133564 0.00472278 0.00470801 0.00310975 -0.00022705 -0.00175072 0.00207656 +H 5.35780581 4.95739201 5.32440372 -0.00698337 -0.00865945 -0.00321806 -0.03919065 0.00207728 -0.02472595 0.00949543 -0.00294753 -0.01040845 +C 7.50368220 6.82018102 5.88740818 -0.00427295 -0.00808282 0.00543189 -0.01812337 -0.02833949 0.03242705 -0.00065885 0.00246600 0.00358906 +H 6.33754947 8.37616523 6.04464791 0.00225706 0.02267337 0.00021961 0.08003186 0.05429077 0.07687282 0.01668689 0.00593105 0.01904577 +O 7.69531657 5.63092696 5.73332327 -0.00806735 -0.00157798 0.00105935 -0.05488096 -0.02823237 0.00782924 -0.00755136 -0.00661604 0.00131682 +C 8.65105243 7.79804892 5.79118344 0.00035139 0.00660178 0.00505479 -0.00867634 0.01496041 -0.01516207 -0.00365909 0.00003277 -0.00218318 +H 8.45713099 8.60033026 6.39823482 -0.01938484 -0.00206881 -0.02278397 -0.02439053 0.16215351 0.03208170 0.02261574 -0.00554598 -0.00852649 +H 9.50891211 7.18626457 6.02137678 0.00448412 0.00226051 -0.02226205 0.11153818 0.14458486 -0.04303892 0.01293834 0.04029775 0.00446987 +H 8.76688325 8.14288891 4.73213283 -0.02341790 -0.00255072 -0.03894559 -0.17067300 -0.07355018 0.05007877 -0.01956962 -0.00475873 0.01175174 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00175413 5.69660145 5.80741220 0.00137412 0.00078622 -0.00457440 0.01642841 0.00403435 -0.03319379 0.00151225 -0.00027113 -0.00580138 +C 2.34344070 6.02285580 5.93645779 -0.00332476 0.00556364 0.00016521 -0.03781247 0.03154398 -0.00478338 -0.00442365 0.00305229 0.00107106 +H 0.82654306 5.41740716 4.95905155 -0.00795076 -0.01261039 -0.00581273 -0.05922013 -0.05345004 -0.01218168 -0.00067382 0.00421606 0.01844862 +C 2.92248561 6.05631141 7.19839601 -0.00794846 -0.00688782 0.00916732 0.00406152 -0.02577423 0.03969034 0.00333354 -0.00130485 0.00382524 +H 2.68062246 6.35490303 3.74580598 0.01488242 -0.00895917 0.01606024 0.05470015 -0.08726933 0.05575829 -0.00901031 -0.01494089 -0.02029446 +C 4.32758842 6.42215581 7.34961338 0.00045480 0.00725540 -0.00416325 -0.07043582 0.02000843 0.00862184 -0.01688149 -0.00080104 0.00365238 +H 2.35531865 5.76254480 8.03020755 0.03382410 0.01095708 -0.00548136 0.02338765 0.00125228 0.19696319 -0.00203241 0.00123579 0.01010400 +C 5.05913755 6.77391982 6.25469198 0.00104778 -0.00394989 0.00126790 0.04179040 -0.01695724 0.01960979 0.00653329 -0.00138950 0.00359860 +H 4.71504719 6.36095864 8.39329528 -0.03076224 -0.01053988 0.00589987 -0.09607411 0.02039119 -0.04584395 0.01226741 0.01513742 0.01011524 +C 4.43546553 6.68491764 5.00385357 -0.00005372 0.00236822 0.00155923 0.02708357 0.02906649 -0.01554147 0.00740506 0.00489216 -0.00439112 +N 6.42686528 7.15465306 6.50583224 0.00225574 -0.00295580 0.00852647 -0.00929415 -0.03163477 0.04326891 -0.00255968 -0.00581841 0.00285263 +C 3.10749128 6.33192529 4.78633369 0.00105685 -0.00367103 0.00068443 0.00501572 -0.02232890 0.02743891 0.00215273 -0.00191944 0.00772494 +H 5.01142279 6.97095817 4.16784507 0.02395998 0.00024775 -0.00758617 0.02300078 -0.02797318 -0.04245109 -0.01855723 -0.00715119 -0.00219669 +C 7.38901395 7.10091186 5.61835084 0.00174001 -0.00122852 -0.00534084 0.02391902 0.00611656 -0.00125015 0.00276478 0.00209957 0.00445666 +H 6.77853126 7.38397933 7.40963940 0.00537348 -0.00520716 0.02561818 -0.10999424 -0.05538117 0.07832745 -0.02992839 -0.00930136 -0.00334937 +O 7.29819922 6.66732005 4.50672985 0.00081783 0.00182355 -0.00515522 0.00983589 0.00821763 -0.05336664 0.00219343 0.00117339 -0.00845313 +C 8.71618623 7.61563052 6.15379889 -0.00216660 0.00086023 0.00261103 0.00818270 0.00536019 -0.01536521 0.00026664 0.00363267 -0.00607352 +H 8.62197539 8.09418017 7.14434764 0.00326590 0.03225296 -0.02256775 0.05615303 0.15589238 -0.10860674 0.01114884 0.00857873 -0.00409210 +H 9.49428461 6.74756524 6.14998108 -0.00701452 -0.01130548 -0.01961533 -0.15024419 0.05300254 0.00068657 0.00884590 -0.01899832 0.02281208 +H 9.15916690 8.35018948 5.45478423 0.00783916 0.00111859 -0.02147950 -0.05093326 -0.08348021 -0.04614364 -0.00902197 -0.01069060 -0.01014109 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96981117 5.90904845 5.98748053 0.00198360 0.00504356 -0.00417378 0.04175960 0.03039989 -0.01946228 0.00676809 0.00418170 -0.00360368 +C 2.37555860 6.02135842 5.99440652 0.00787428 -0.00220652 -0.00432594 -0.01175986 -0.00905873 -0.02155856 -0.01065558 -0.00029929 0.00234610 +H 0.56384691 6.25534375 5.21649058 -0.00505701 -0.01553832 0.01858124 -0.07057088 -0.05847425 -0.03511623 0.00964960 -0.01318105 0.00388015 +C 3.03059430 6.07936067 7.21486476 -0.00692372 -0.00164550 0.00154936 -0.06183316 -0.02430591 0.02408673 -0.00704803 -0.00477741 0.00262031 +H 2.51948885 6.03891334 3.87921895 0.01468193 0.00541287 0.00278835 0.10469215 0.08801362 -0.02510966 0.01690893 0.01834600 0.01288019 +C 4.38436615 6.20426888 7.28233588 -0.00256824 -0.00296354 0.00045889 -0.01682937 0.00489067 -0.00895054 -0.00367868 0.00345178 -0.00163073 +H 2.42272487 6.01035802 8.12794487 -0.00061891 -0.00623784 0.01807081 0.03452450 -0.05046777 0.03092321 -0.00636028 -0.01111149 0.00686394 +C 5.09775251 6.47838667 6.09262767 -0.00021041 0.00803700 -0.00192139 -0.01667905 0.04107903 0.00798371 -0.00498483 0.00276452 0.00363202 +H 4.79025770 6.36928980 8.27545901 -0.01101802 -0.02019682 -0.00697182 0.03536823 -0.19620974 -0.00129684 0.01672071 -0.02926512 -0.00062345 +C 4.44685074 6.42843379 4.83795910 -0.00388687 -0.00607185 -0.00164988 -0.02503188 -0.04960105 -0.00228071 0.00124617 -0.00675793 -0.00079093 +N 6.39089839 6.81102181 6.36579274 -0.00208875 -0.00330710 0.00240059 -0.00289118 -0.02265392 0.02256054 0.00177005 -0.00221281 0.00227776 +C 3.06633327 6.18996715 4.76651164 0.00132957 0.00101406 0.01223679 0.00617901 -0.00341806 0.07909642 -0.00015062 -0.00193127 0.00411728 +H 4.86929757 6.41540360 3.89070668 -0.02825755 -0.02087131 0.01092013 0.07603424 -0.00575091 -0.06544589 0.02093248 0.01559994 0.01432027 +C 7.39096887 7.21923974 5.65247191 -0.00253311 0.00093834 -0.00378974 -0.01510668 0.01397141 -0.02981529 -0.00107910 0.00259474 -0.00251033 +H 6.63741733 6.77820006 7.35276908 0.00734746 0.01766907 -0.00650815 0.00780227 0.07915114 0.01356692 -0.00557000 0.00229825 0.01434852 +O 7.32774596 7.39200788 4.46142730 0.00670880 0.00115048 -0.00051462 0.04292081 0.00805606 -0.02559172 0.00505058 0.00110455 -0.00709292 +C 8.63617083 7.58074648 6.37118056 -0.00186472 0.00174745 -0.00389860 0.00717432 0.01387094 -0.01096448 0.00281838 0.00085458 -0.00181170 +H 9.44390522 7.04093673 5.87213899 0.00917747 0.00171444 -0.01847183 0.01569524 0.07375408 -0.00815720 0.00212293 0.01712288 0.00807722 +H 8.82348412 8.68481936 6.22005238 -0.00395195 0.00307653 0.02496269 -0.03215163 -0.03443921 0.15979387 -0.00097074 0.01534807 0.01423698 +H 8.56449049 7.36741921 7.47918581 0.01341333 -0.00367592 0.01365782 0.12007875 -0.04135482 -0.11555582 0.01478633 -0.01945448 -0.00701960 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02333168 5.79172819 5.90120193 0.00013582 -0.00775884 -0.00324034 -0.00151866 -0.05920244 -0.02859929 -0.00082734 -0.00792135 -0.00424863 +C 2.36010428 5.92432457 5.79753944 0.00093916 0.00036343 0.00567455 -0.00967033 0.00322544 0.05547916 -0.00362056 -0.00007792 0.00846607 +H 0.58273851 6.64321767 6.00904203 0.02002277 -0.02081635 0.01161769 0.04226360 -0.05724895 0.11862683 -0.00667186 -0.00740951 0.01845567 +C 3.15571799 4.86927244 5.37198261 -0.01077533 0.00004409 -0.00415525 -0.03618837 0.02097685 -0.05365237 0.00237241 0.00704943 -0.00813911 +H 2.37720586 7.96923822 6.63664540 0.01317291 -0.00201850 -0.00584029 -0.08371012 0.01944230 0.00306921 -0.02878532 0.00422562 0.00362516 +C 4.55814742 5.09998477 5.29695577 0.00034587 0.00362591 0.00975029 -0.00500034 0.01983401 0.07189479 -0.00309403 0.00042455 0.00837470 +H 2.66824586 4.08971668 4.75869385 -0.01071785 0.00272506 0.00172239 -0.02907771 -0.09146722 0.15563501 -0.00098124 -0.03018946 0.02987041 +C 5.14439007 6.30039184 5.81222880 0.00127038 0.00321430 0.00093148 0.01039379 0.00878181 0.00112091 0.00204821 -0.00048029 -0.00030296 +H 5.24540945 4.37869903 4.89781402 0.00798087 0.01604053 0.00115350 -0.02544818 0.02921626 -0.00277313 -0.01669609 -0.00472302 0.00585472 +C 4.27144939 7.31242335 6.25508037 0.00550126 0.00312301 -0.00082202 0.04976575 0.02543813 -0.00293885 0.00698584 0.00536569 0.00058663 +N 6.54389426 6.38965509 5.85436537 0.00208365 -0.00029770 -0.00615466 0.00803176 0.00933776 -0.04421427 0.00087464 0.00230174 -0.00641660 +C 2.92903933 7.10556017 6.28036691 -0.00318794 0.00665713 -0.00141172 -0.02074739 0.04937803 -0.01376630 -0.00104328 0.00758985 -0.00186233 +H 4.56776486 8.27494332 6.58181894 0.02532064 -0.00539703 -0.00350929 0.21761577 -0.00794626 0.01823696 0.01613242 -0.01102039 0.00288329 +C 7.32886704 7.49261137 6.07308881 -0.00320502 -0.00291199 0.00381783 -0.01648921 -0.01155960 0.00871111 -0.00005029 0.00007047 -0.00211463 +H 6.96649880 5.52932485 5.60920459 0.01702104 -0.00017306 -0.02821603 0.12855062 0.09013398 -0.10823263 0.00823767 0.02673908 -0.00122250 +O 6.97738512 8.68794175 6.13526163 -0.00267287 -0.00155772 -0.00171134 -0.02536773 -0.02690743 -0.00764375 -0.00434129 -0.00563864 -0.00036352 +C 8.80328189 7.22769239 6.11061953 0.00457332 0.00127332 -0.00109708 0.01484000 0.00183957 -0.00506643 0.00003823 0.00016444 -0.00023650 +H 9.27642842 8.15941980 5.77202446 0.01401518 -0.01794803 0.03383268 0.19698334 -0.00913712 0.30333704 0.02789306 0.00507430 0.04858765 +H 9.07019737 6.90018907 7.14461089 -0.03517444 -0.02072183 -0.00142383 -0.12986826 -0.14736691 -0.08290240 0.00134000 -0.02691796 -0.00451397 +H 9.00969227 6.52460071 5.28564703 0.01374946 0.01694610 0.00359301 0.15386994 0.00632833 0.04847171 0.02608194 -0.01211778 0.00196757 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01891518 5.70129388 5.80961516 0.00072208 0.00858495 -0.00139318 0.01631017 0.06176529 -0.00564718 0.00223007 0.01058369 -0.00201629 +C 2.35725499 5.99148301 5.95929966 0.00806289 0.00068775 0.00046478 0.00970346 -0.00729301 -0.01740387 -0.00550529 -0.00396729 -0.00463136 +H 0.52921780 6.34459341 5.37091069 0.02169603 -0.01394186 -0.03137130 0.10580421 -0.02926990 -0.24079839 0.02738866 -0.02150012 -0.01128169 +C 3.13955758 4.97437258 6.43612665 -0.00393443 -0.00303815 -0.00602719 -0.01143352 -0.03281012 -0.03195841 -0.00018099 -0.00806895 -0.00126938 +H 2.10006151 7.75368724 4.94193272 0.00856350 -0.02585370 -0.01175381 0.22206310 0.01945259 -0.11598337 0.03682261 0.03132750 -0.01812329 +C 4.52742192 5.10863758 6.45977421 -0.00465429 -0.00541386 0.00824768 -0.01518847 -0.04221208 0.05699054 0.00022545 -0.00598066 0.00664966 +H 2.65846826 4.05518784 6.64397523 -0.00189994 0.00619326 0.00627127 -0.02233589 -0.03240646 0.12057240 0.00341275 0.00400852 0.01539329 +C 5.16027894 6.30741543 6.03352820 -0.00310365 -0.00864112 0.00159067 -0.03610598 -0.03335110 -0.00059834 -0.00577504 -0.00062067 -0.00097978 +H 5.07624641 4.26483469 6.82230063 -0.00805446 -0.02418315 0.00595058 -0.03034790 -0.06489949 0.02343377 0.00048092 0.00706226 0.00436881 +C 4.33841087 7.34957829 5.49353739 0.00310456 0.00075562 0.00451164 -0.02182459 -0.01671401 0.02574389 -0.00819785 -0.00657622 0.00352166 +N 6.53126341 6.42404044 6.02658069 -0.00357413 0.00393544 0.00053968 -0.01787305 0.03050628 0.00982473 -0.00032036 0.00386387 0.00220243 +C 2.91464733 7.13709291 5.37281381 0.00015900 -0.00713953 0.00324736 0.02321446 -0.04310028 0.03543331 0.00729881 -0.00333362 0.00517922 +H 4.70707752 8.29088860 5.06014790 -0.01683378 -0.00431906 0.00581084 -0.01693397 -0.01992718 0.04931667 0.01303197 0.00285484 0.00475669 +C 7.31415718 7.49016695 5.87323701 0.00197302 0.00647467 0.00045982 0.02562870 0.04177877 -0.00230926 0.00290718 0.00430580 -0.00099633 +H 7.06206619 5.59554239 6.20699305 0.00077693 0.01972217 -0.01887837 0.00957483 0.00103991 -0.06648156 -0.00850714 -0.00339350 -0.00098023 +O 6.98451172 8.64069658 5.53274506 -0.00191582 0.00562459 -0.00344817 -0.01146848 0.02813178 -0.01604310 -0.00091585 0.00248297 -0.00108030 +C 8.81717841 7.17014403 6.05332497 0.00295683 -0.00532220 -0.00048229 0.00586703 0.00168479 -0.02293939 0.00119677 0.00536677 -0.00703116 +H 9.25279891 7.77896109 6.84100489 0.01359402 -0.01456306 -0.00727879 0.07783810 -0.16329149 0.06699702 0.00177920 -0.03024794 0.01761578 +H 9.08013972 6.11382397 6.07629711 -0.00198282 0.00853698 -0.01583660 0.01011633 -0.02709901 -0.09800838 -0.00231563 -0.00378548 -0.01379485 +H 9.21641578 7.63638647 5.20765144 -0.00162969 0.02600536 -0.00670796 0.05570014 0.03871498 -0.04318304 0.00719271 -0.02250593 0.01531698 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92689834 5.80294398 5.87138192 0.00004258 -0.00057513 0.00227665 0.01418203 -0.00681822 0.01196261 0.00253062 0.00004691 0.00283446 +C 2.27401921 6.10291487 5.97425755 -0.00239425 0.00378953 0.00147241 -0.01944707 0.01197347 0.00425555 -0.00149284 -0.00101982 -0.00120445 +H 0.92509061 5.08949070 5.19713671 -0.02549062 0.00577711 -0.00761700 -0.27299046 0.10365144 0.00151636 -0.04361242 0.00358583 -0.01374548 +C 2.72590221 6.86331655 7.07959549 -0.00077626 -0.00015913 0.00370894 -0.01360752 -0.01599965 -0.00239068 -0.00700407 -0.00184144 0.00046262 +H 2.75951454 5.08717310 4.10709908 -0.01346522 0.00233420 -0.00947807 0.02011913 0.03723980 0.04299130 0.01158703 0.00025374 0.00913551 +C 4.10351208 7.13787173 7.16406373 -0.00452090 -0.00329558 -0.00424888 -0.02003427 0.01235257 -0.02019176 -0.00074828 0.00566515 -0.00146417 +H 2.02969631 7.24084469 7.66782731 -0.01796907 -0.00745049 0.01128563 -0.05416862 -0.04655859 0.18551894 0.04858103 -0.02934191 -0.00851397 +C 5.01165610 6.83415429 6.09431613 0.00492224 0.00076688 0.00119331 0.01281210 -0.02329378 0.01238352 -0.00157815 -0.00754400 0.00047459 +H 4.34816990 7.80303117 7.95173487 -0.01495296 0.01079820 0.02991780 -0.01868889 -0.10109947 0.04888836 0.01081990 -0.03272697 -0.01391358 +C 4.53579038 6.04175314 5.03519358 0.00672043 0.00063585 -0.00654133 0.01833617 0.00008296 -0.05224704 -0.00106844 0.00130285 -0.00481431 +N 6.32379457 7.23454324 6.23817835 0.00075334 -0.00035625 -0.00377637 0.01889795 0.01024393 -0.01909943 0.00417153 0.00160667 -0.00270245 +C 3.16438078 5.62393799 4.96856901 -0.00014124 -0.00102706 0.00199109 0.00658249 0.01642883 0.01932675 0.00244602 0.00598067 0.00324357 +H 5.10413021 5.75230686 4.13587729 0.00908222 0.02193749 -0.00737411 0.14793706 0.13600946 0.03094577 0.02830840 0.00714629 0.00239840 +C 7.51156892 6.97033537 5.66691151 0.01018402 -0.00492708 -0.00458858 0.03594596 -0.00571752 -0.00099924 -0.00178077 0.00381501 0.00474924 +H 6.41344038 7.93934295 6.99824252 -0.01490167 -0.00732305 -0.00318460 -0.04071990 -0.04323523 -0.01890992 0.00880198 0.01375568 0.01559081 +O 7.75413209 6.18618278 4.79289295 -0.00060274 0.00094595 0.00635766 -0.00737627 -0.01909436 0.01757868 -0.00099363 -0.00666814 -0.00162086 +C 8.67796350 7.73689370 6.20420291 -0.00359789 0.00178395 0.00179498 -0.01860024 0.02647349 0.00191692 -0.00336809 0.00413458 -0.00013198 +H 9.31049001 6.98909616 6.75309199 -0.02707831 -0.00308156 -0.02195021 -0.06703933 0.00804212 -0.03459136 0.01484642 -0.00062586 0.02501061 +H 9.24182077 8.18983104 5.31812557 -0.00331542 -0.01138943 0.00117748 -0.00164811 -0.11693051 0.06478515 0.02232703 -0.00252470 -0.01377376 +H 8.42263744 8.58496943 6.85122956 -0.01736399 0.01644885 -0.01516856 -0.10711185 0.02609474 -0.07247161 -0.01011714 -0.00178695 0.00043138 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01526462 5.74956019 5.71293423 -0.00611097 0.00113412 0.00593850 -0.02976469 0.00598717 0.04451685 -0.00200977 0.00236559 0.00728629 +C 2.32956580 6.15160552 5.92694814 0.00105092 -0.00550167 -0.00808363 -0.00363906 -0.02185096 -0.04908298 -0.00216397 0.00084468 -0.00421340 +H 0.94415230 4.88144962 5.35162911 -0.02849926 -0.01912838 -0.00268399 -0.15628746 0.06236654 0.03873230 -0.01783149 0.00693521 0.00041844 +C 2.71488195 7.16161280 6.85801065 -0.00194944 0.00413414 0.00131925 -0.00847917 0.00441740 -0.00700943 0.00014886 -0.00375038 -0.00437550 +H 3.00286543 4.87424952 4.27284404 -0.00363020 -0.00966954 -0.00859107 0.00895281 0.00293379 0.01543957 -0.00270411 -0.01208857 -0.01202695 +C 4.08874826 7.48728120 7.01572227 0.00471340 0.00375726 0.00212156 0.03345664 0.01448608 -0.01068762 0.00081170 0.00178278 -0.00294954 +H 1.95751167 7.66939457 7.40593237 -0.01670497 -0.00916549 -0.00164580 -0.06320231 -0.02835110 0.00848655 0.01210012 -0.00454159 -0.00262909 +C 5.05971041 6.75794283 6.22414288 0.00480045 -0.00353519 -0.00181270 0.00807757 0.01669318 0.02265842 -0.00157071 0.00615470 0.00554192 +H 4.50071046 8.30692062 7.52301127 0.00365252 0.03348441 0.02022952 -0.15755714 0.01786889 0.13660242 -0.03790747 -0.03994533 0.00385276 +C 4.67682531 5.81235507 5.28374774 0.00115199 -0.00443310 0.00152034 -0.01598690 -0.03148172 -0.01318996 -0.00561088 -0.00189512 -0.00165054 +N 6.31432062 7.26655644 6.36849982 0.00333884 0.00427214 0.00251659 0.02281488 0.01561441 0.01774251 0.00162814 -0.00034597 0.00233112 +C 3.30490508 5.58029429 5.08272664 -0.00064786 -0.00055534 -0.00831438 -0.00437252 -0.02224514 -0.05152733 -0.00027235 -0.00394055 -0.00419869 +H 5.32657679 5.35801589 4.49711558 -0.00614114 -0.01246142 0.00126940 0.01078652 -0.08558758 0.13044310 0.02397118 -0.02262703 0.01388308 +C 7.39444403 6.87711843 5.70976199 -0.00574306 -0.00064467 0.00400328 0.01084435 0.03464791 0.03785724 0.00898128 0.00656678 0.00323017 +H 6.49172346 7.96400487 7.10710997 0.00292212 0.00214523 0.00279268 -0.02553759 0.03661534 -0.03493233 -0.00527106 0.02100432 0.00116998 +O 7.50868964 5.94944390 4.97337168 0.00328016 0.00223385 -0.00099657 0.02094261 0.00175365 -0.01724626 0.00224929 -0.00000867 -0.00240811 +C 8.61490719 7.80344467 5.96856376 0.00202581 -0.00102732 -0.00145843 -0.00004059 -0.03624781 -0.01263568 -0.00108349 -0.00582089 -0.00319634 +H 9.50853751 7.18678240 5.83105035 -0.01164416 -0.00182759 -0.01187619 0.00897836 -0.00932888 -0.08419542 0.01394283 0.00026205 -0.00926269 +H 8.62309602 8.57670590 5.20759865 0.00310824 0.00229186 0.04442262 0.02211064 0.16047079 0.15919613 -0.00035303 0.01826182 0.00660085 +H 8.67739959 8.20130276 7.01818640 -0.00889986 -0.00547805 -0.02977232 -0.06190323 -0.00135887 -0.05280305 -0.00332274 0.00082868 0.02892095 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98329050 5.74008155 5.75258867 0.00003399 -0.00038923 0.00190078 -0.00045584 -0.00405805 0.01761680 0.00037439 -0.00105899 0.00282210 +C 2.28257592 6.10440124 5.95011508 0.00052071 -0.00321824 -0.00163357 0.02819749 -0.01607670 -0.02791055 0.00571647 -0.00064222 -0.00550237 +H 0.88534510 4.96020929 5.28467603 -0.00579779 -0.01216014 -0.00213787 -0.02722301 -0.01476309 0.02975042 -0.00140773 0.01363357 0.01415611 +C 2.65501322 7.36337249 6.50455978 0.01203192 -0.00303450 -0.00653839 0.03877389 -0.01567547 -0.02534850 -0.00048138 -0.00181294 -0.00083083 +H 3.12459036 4.32818463 5.00015564 0.00708263 0.02612027 0.00854156 -0.05567632 -0.02610630 -0.15972298 -0.01265454 0.00088265 -0.03260204 +C 4.00712588 7.79136757 6.62262948 -0.00095365 0.00384682 0.00540189 0.01484857 0.01937957 0.01529986 0.00506342 -0.00109798 -0.00185766 +H 1.85651833 7.98036770 6.85849341 -0.02363300 0.00391348 0.00978251 0.06199685 -0.05271065 -0.02827691 0.02615313 -0.00788979 -0.01125677 +C 5.03784119 6.94190386 6.09673310 -0.00043491 0.00103913 0.00264377 -0.02795696 0.00371421 0.00539702 -0.00560849 0.00119134 -0.00094419 +H 4.20064238 8.82818319 6.93770578 0.02605181 0.02183165 0.00248824 0.10981549 -0.07809540 0.05930180 0.00494267 -0.01618799 0.02242460 +C 4.65918289 5.73558507 5.42249320 -0.00427839 0.00679675 -0.00081635 -0.04261688 0.04711504 -0.01565958 -0.00674495 0.00612812 -0.00269534 +N 6.31367089 7.40902529 5.97407399 0.00206114 -0.00255107 0.00258630 0.02323361 -0.01379002 0.02200510 0.00185507 0.00291840 0.00343923 +C 3.30533914 5.31506097 5.35963095 -0.00319711 -0.00640220 -0.00522433 -0.00686223 -0.01713412 -0.00229603 0.00080505 -0.00182852 0.00176077 +H 5.30220739 5.18283484 4.71831325 0.00141325 0.01666344 0.00040296 0.09504764 0.07812823 0.16102953 0.02378660 -0.00335712 0.03060363 +C 7.51053413 6.78564769 5.88054261 0.00099234 0.00576601 -0.00050416 -0.02627199 0.04389857 -0.01479001 -0.00594225 0.00118595 -0.00399843 +H 6.41975461 8.36818883 5.87996342 0.02026281 -0.01909147 -0.01682576 0.05902073 0.04161755 -0.02429116 -0.01071687 -0.01140481 0.01578437 +O 7.66523703 5.61080120 5.66238889 -0.00073213 0.00060416 0.00321347 0.00180604 -0.00130773 0.02705693 0.00083251 0.00064122 0.00469045 +C 8.60777446 7.82322405 5.88640033 -0.00689885 -0.00500288 -0.00404855 -0.02498328 -0.03627184 -0.03333758 -0.00067848 -0.00277393 -0.00229912 +H 8.50328549 8.56616043 6.65466599 0.00255496 -0.01533277 -0.01071426 -0.00434284 -0.07071872 0.05359062 -0.00614305 -0.01288217 0.00705900 +H 9.54202830 7.21079024 5.99975765 -0.01549343 0.01502614 0.00976136 -0.00021893 0.11834460 0.06682206 0.02680194 0.00189995 0.00653287 +H 8.65995798 8.40993711 4.93243673 -0.00357415 -0.00244121 0.00932101 -0.02419954 -0.06385610 0.00237983 -0.00191244 -0.00278533 -0.02470625 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97500312 5.69615029 5.88576868 0.01159247 -0.00197178 -0.00528870 0.07306268 -0.01190073 -0.04040434 0.00904194 -0.00353640 -0.00595964 +C 2.29280122 6.06665473 5.91844244 0.00154318 -0.00553852 0.00135511 0.02464510 0.00704993 0.00078107 0.00535381 0.00836671 -0.00071838 +H 0.43060707 6.48718798 5.67747359 -0.01293033 -0.01226250 0.01739346 -0.07538584 -0.14624763 0.17072527 -0.02141473 -0.00206220 0.02699813 +C 2.67699100 7.40775667 6.23805476 -0.00021981 0.00896269 0.00146076 -0.00892745 0.01753354 0.01818774 -0.00393459 -0.00187082 0.00338061 +H 3.07319842 4.34410051 4.82951752 -0.01373563 0.00480715 -0.03208762 -0.09506910 0.03901858 -0.03081368 -0.01013123 0.00018036 0.02251523 +C 4.03089482 7.81407663 6.26293440 -0.00094082 0.00141673 -0.00004873 -0.03760423 0.04577080 0.01268368 -0.00701003 0.00846976 0.00333635 +H 1.90659886 8.04212466 6.64069689 0.01741601 0.00356184 -0.02336096 0.00235117 0.17850427 -0.14685280 -0.00408353 0.02320773 -0.01960612 +C 5.01970930 6.94423269 5.94810287 -0.00246339 0.00236448 0.00446518 -0.00480005 -0.02186630 0.00936575 0.00030909 -0.00471492 -0.00068895 +H 4.22036513 8.83491916 6.51386692 -0.00772909 0.02282986 0.01728619 -0.02035456 0.00618485 0.08908807 0.00207581 -0.01225997 0.00552260 +C 4.61479382 5.63239050 5.48072124 -0.00501256 -0.00026944 0.00228501 -0.00008742 0.02053443 0.01889524 0.00263789 0.00276627 0.00223973 +N 6.30645110 7.47393391 5.91460053 0.00448969 -0.00454548 -0.00217205 0.00467531 -0.01885522 -0.00912774 -0.00400487 -0.00058465 -0.00016323 +C 3.28926390 5.24526983 5.37085856 -0.00218281 -0.00131135 0.00280522 -0.02113655 -0.01990503 0.01343242 -0.00197172 -0.00265557 0.00131467 +H 5.41433647 4.98984866 5.10538454 -0.02244605 -0.00403483 0.01180138 -0.09903372 -0.09066446 0.03229601 0.00180882 -0.01497510 -0.00249615 +C 7.49631258 6.83661467 5.92213146 -0.00101397 0.00374180 0.00420125 -0.00098674 0.02298626 0.03505007 0.00067150 -0.00023177 0.00523523 +H 6.26525219 8.44523773 6.00608673 -0.03185086 0.02301649 0.00391801 0.00076528 -0.02405561 -0.04256263 0.03103224 -0.02534476 -0.01560882 +O 7.62634706 5.64118096 6.12874387 -0.00283495 -0.00224131 -0.00198487 -0.01775029 -0.01303197 -0.01895096 -0.00211312 -0.00042605 -0.00333426 +C 8.73151483 7.75158014 5.84734684 0.00046359 -0.00189990 -0.00306455 -0.01903655 -0.00805668 -0.01932750 0.00010185 -0.00154542 -0.00098975 +H 9.15856667 7.74131307 6.78364538 0.00296809 -0.00851428 -0.01526273 0.12482278 -0.04627581 0.03942256 0.00337898 -0.00035315 -0.01983781 +H 9.39611844 7.40690557 5.12809836 0.00033512 0.00854344 0.00633815 0.08442474 0.00586479 -0.08017654 -0.01241580 0.00586531 0.00068269 +H 8.45030544 8.78564421 5.64738432 -0.01632493 0.00311817 -0.00077344 -0.05593259 -0.02774963 -0.02351202 0.00120795 -0.00552866 -0.00459722 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.90280538 5.77655336 5.84609049 0.00328265 -0.00121735 -0.00076468 0.03033326 -0.00698655 -0.00848354 0.00519330 -0.00043725 0.00077726 +C 2.24160251 6.10285792 5.96983749 0.00150885 -0.00587270 0.00072416 0.01378806 -0.04786462 0.01045920 0.00242280 -0.00739626 0.00172808 +H 0.67048244 5.57467352 4.91805252 -0.00454692 -0.00474434 -0.00560245 -0.01739024 -0.03716473 0.05086865 -0.00761459 -0.01390539 -0.01666355 +C 2.74132421 6.76002677 7.12334648 -0.00188551 -0.00491023 -0.00732555 0.00524034 -0.02553950 -0.03285010 0.00284941 -0.00150415 -0.00094341 +H 2.92469171 5.03431023 4.20424519 -0.00117271 0.00585079 -0.02220231 -0.04266921 0.08688278 -0.03850820 -0.00888106 0.01868525 0.01190547 +C 4.15377675 7.06977254 7.19442678 -0.00371389 0.00900645 0.00640279 -0.05102448 0.05900313 0.03887156 -0.00457378 0.00757970 0.00242869 +H 2.09747917 6.95205682 7.97880441 -0.00346482 0.00847831 0.00967337 0.01484276 0.04082271 -0.09286333 -0.00440518 0.00344742 -0.02186278 +C 5.01302449 6.85403393 6.12449401 0.00847361 0.00510084 0.00350457 0.02160932 0.00669607 0.00332785 -0.00415467 -0.00219859 0.00035900 +H 4.39071143 7.48889019 8.14050244 0.02408584 0.00339572 -0.00011984 0.20051302 0.08397531 -0.01840860 0.00687967 0.01233597 -0.01790290 +C 4.52521432 6.10538485 4.99011206 -0.00584981 0.00159060 0.00431415 0.00899806 0.01582159 0.05364281 0.00508943 0.00192130 0.01018817 +N 6.30931925 7.28049134 6.27307508 0.00323973 -0.00313002 -0.00865748 0.03701519 -0.01101741 -0.05231032 0.00627804 0.00062481 -0.00508325 +C 3.19706078 5.64688643 5.02264749 -0.00071902 0.00440262 0.00521375 -0.01506144 0.02822895 -0.00420214 -0.00211687 0.00363702 -0.00647650 +H 5.27924336 5.81798606 4.27121531 0.03001227 -0.01597101 -0.01474602 -0.13159483 -0.02661794 0.01688817 -0.04190823 0.00512062 0.00503916 +C 7.47882363 7.01177730 5.65586026 0.00226629 0.00021313 -0.00241146 0.02919848 -0.00588030 -0.03342551 0.00399275 -0.00060607 -0.00512651 +H 6.42801141 7.95058703 7.01476389 -0.01200541 -0.00705082 -0.01535413 -0.03287127 -0.00907880 -0.03320217 0.00828443 0.00042040 -0.00061266 +O 7.69285926 6.26374968 4.68227856 -0.00150259 0.00204592 0.00049498 -0.02468514 0.01310696 0.00493411 -0.00479928 0.00071637 -0.00057572 +C 8.74302040 7.67296515 6.19574227 -0.00453444 -0.00364683 0.00279825 -0.04292435 -0.02689468 0.04365826 -0.00535672 -0.00682285 0.00698905 +H 8.50726706 8.09042883 7.20608990 -0.00934913 0.00653596 0.01272193 0.01800107 0.02945628 -0.04313903 0.00628117 0.00437235 0.00680363 +H 9.51919003 6.96839865 6.36994174 -0.02556372 -0.02348535 -0.02408341 -0.12356901 -0.20372283 -0.10992649 -0.02005804 -0.00607057 -0.00295421 +H 9.22193182 8.39162474 5.47942617 -0.01819634 -0.01277657 0.02676340 -0.12970187 0.04885402 0.10444093 -0.01005507 0.02670570 -0.00530283 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97085081 5.73002390 5.81342157 0.00157045 0.00128510 0.00132675 0.02221923 0.00187055 0.02838634 0.00235313 -0.00009923 0.00482849 +C 2.34234980 5.96131028 5.91458509 0.00041581 -0.00106559 0.00315642 -0.01518106 0.00127577 0.02122597 -0.00265531 0.00226338 0.00244643 +H 0.43436951 6.03237524 5.09486356 -0.00393346 -0.01085008 0.03298326 -0.00183079 0.03733113 0.01748266 0.02438868 0.00931526 -0.00066236 +C 2.99605277 5.72985860 7.13391833 -0.00601804 -0.00072861 -0.00101808 -0.02445055 -0.01108193 0.03199473 0.00271195 -0.00119162 0.00414862 +H 2.45628261 6.92020144 4.04168817 0.02911788 0.02477999 0.02428467 0.15580884 0.15106172 -0.01953752 0.01019676 0.01011458 -0.02335624 +C 4.42079166 5.91653286 7.29724594 0.00350867 -0.00133933 -0.00476976 -0.02309182 0.00280402 -0.04929149 -0.00934534 0.00025165 -0.00421502 +H 2.32538638 5.51246582 8.02758461 -0.02351710 -0.01423474 0.02942865 0.10984658 -0.14254833 -0.08972488 0.01403949 -0.04046515 0.00059757 +C 5.13762179 6.54059063 6.22488690 -0.00726685 0.00243976 0.00276832 -0.05340120 0.00298446 0.00837903 -0.00509226 -0.00029713 -0.00327637 +H 4.90633611 5.75400076 8.22107562 0.01214527 -0.00238179 -0.02546697 0.07689313 -0.08991681 -0.05534471 -0.00826942 -0.01539801 -0.01660709 +C 4.42184343 6.93002020 5.05751523 0.00591639 -0.00518038 -0.00507612 0.01406785 -0.05166473 -0.02990580 -0.00149463 -0.00865654 -0.00294878 +N 6.48390127 6.66358659 6.42659501 -0.00398971 0.00595714 -0.00781049 -0.02614704 0.04316025 -0.04715324 -0.00494900 0.00516702 -0.00304586 +C 3.04301807 6.59940847 4.90991949 0.00320405 -0.00088263 -0.00084961 0.03588924 0.00289864 -0.00050835 0.00514867 0.00153364 0.00064697 +H 4.87921829 7.39057040 4.18703540 -0.01064957 -0.00780459 0.00168612 0.00840938 0.01109164 -0.01206623 0.01234104 0.00589230 -0.00117510 +C 7.40504438 7.22028761 5.61652793 -0.00313505 -0.00440844 0.00480868 -0.01608012 -0.01492959 0.01441665 0.00059352 0.00215334 -0.00274096 +H 6.81757945 6.28064955 7.31502739 -0.00985887 0.02195111 -0.02395117 0.00695480 0.13904718 -0.01795221 0.00762391 0.01708774 0.01460232 +O 7.14027010 7.53205061 4.46600202 -0.00007011 0.00141727 -0.00015919 0.01267258 0.01136301 0.00026234 0.00370419 0.00153424 0.00077121 +C 8.76289389 7.54742716 6.22789613 0.00295071 -0.00102232 0.00519155 0.02573119 -0.01023207 0.03348632 0.00059236 -0.00125970 0.00648996 +H 8.59473485 8.40539103 6.84824626 0.02321599 0.01438808 0.00988568 0.21447522 0.07516098 -0.03047876 0.03165941 -0.00366789 -0.02380662 +H 9.08510042 6.75255111 6.92097483 0.00853812 0.00993484 0.00522091 0.03959385 0.01901515 0.03432741 0.00471339 -0.00991180 0.00901041 +H 9.62100569 7.67370402 5.48494341 0.01162410 -0.01623173 -0.01425132 -0.12719097 -0.08126081 0.01876185 -0.01037713 -0.00554642 -0.01172053 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98664821 5.82694047 5.81730833 0.00725920 0.00158614 -0.00218112 0.02620109 -0.00442446 -0.02185387 0.00047445 -0.00159679 -0.00384128 +C 2.28637558 6.14653204 5.78602062 -0.00115201 -0.00135619 0.00369429 0.02640698 -0.00091877 0.04563294 0.00745052 -0.00092456 0.00793755 +H 0.77167461 4.93900869 5.66156635 -0.00722706 -0.01973146 0.01691018 0.03744639 -0.00510951 0.11867774 0.01451828 0.00249061 0.01586146 +C 2.64767606 7.40510559 6.27270827 0.00224752 0.00342818 -0.00250760 0.00329485 0.00693151 -0.02024253 0.00133338 -0.00167975 -0.00321576 +H 3.05327364 4.31388680 5.17513766 -0.01386796 -0.04273983 -0.00416447 0.00645801 -0.12137868 0.07891731 0.01550818 0.01978253 0.02739147 +C 3.99175004 7.71686925 6.44351851 -0.00324619 0.00199666 0.00769651 -0.00098900 0.02407993 0.04323977 0.00045576 0.00330810 0.00373613 +H 1.80435243 8.11176809 6.54975176 0.00693150 -0.02014721 -0.02185361 0.04339516 0.00371480 -0.14534294 -0.01678153 0.03792056 -0.01110224 +C 5.07587215 6.79832875 6.20285060 -0.00302839 0.00282008 -0.00391898 -0.06753845 0.05113869 -0.01745934 -0.01147819 0.00983521 -0.00118661 +H 4.16474796 8.80402243 6.66625189 -0.00717311 -0.00771933 -0.01281575 0.04168745 -0.03973521 0.04572260 0.02115731 0.02333825 0.03108935 +C 4.67189440 5.54681583 5.72175254 -0.00709648 0.00357227 -0.00187475 -0.02556956 0.02205683 -0.01025536 0.00136579 0.00028746 -0.00153343 +N 6.34672967 7.26531746 6.40186873 -0.00330883 0.00166524 0.00339321 0.00796657 -0.00645483 0.01607614 0.00269622 -0.00298692 0.00163614 +C 3.32285195 5.23059711 5.56330275 0.00066305 -0.00346184 0.00125330 -0.02665118 -0.05401642 -0.01293689 -0.00694516 -0.01112457 -0.00394724 +H 5.38283911 4.84737483 5.44669648 0.00138678 0.01372440 0.01769204 0.07091954 -0.02333222 0.08925645 -0.01025481 0.00689214 0.01287162 +C 7.47087872 6.83748503 5.77129542 0.00178287 -0.00227571 0.00218970 0.01323069 0.03060217 0.02959223 0.00183132 0.00665650 0.00218843 +H 6.56545161 7.98422978 7.06152067 0.00976081 0.00361509 0.01211764 -0.08561289 0.00072204 0.03112262 -0.02705230 -0.00366224 -0.00358722 +O 7.52365940 6.03245454 4.89096614 0.00394666 0.00153130 -0.00556639 0.02866238 -0.00000543 -0.04276767 0.00393424 0.00033406 -0.00449277 +C 8.71365825 7.73107434 6.14963567 -0.00188854 -0.00605769 0.00077602 -0.01013866 -0.02605367 -0.00972896 -0.00118926 -0.00207283 0.00049907 +H 9.02413970 7.60980742 7.16388048 0.00005544 0.00386499 -0.01063431 0.02875017 -0.07772373 0.02554806 -0.00462823 -0.01562299 -0.00265816 +H 9.56970950 7.68120170 5.42637094 0.02187375 -0.00099704 0.01181689 0.01278400 -0.13643432 0.14505789 0.00125705 -0.03780004 0.00677599 +H 8.51173062 8.80513966 6.14568979 -0.00399136 0.01340873 -0.02033716 -0.08929205 -0.08202094 -0.15674591 -0.01566065 -0.02285595 -0.02045943 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98896823 5.82797666 5.74226747 -0.00120633 0.00631497 -0.00106398 -0.01398063 0.02521988 -0.01762115 -0.00197939 0.00227471 -0.00277670 +C 2.28945341 6.14596583 5.84763634 -0.00159279 -0.00648124 0.00432340 0.01637940 -0.02710104 0.03078698 0.00439153 0.00021984 0.00435409 +H 0.91218945 5.07068971 5.19365418 -0.00406205 -0.01224288 -0.01392264 -0.07517219 0.03998761 0.02117568 -0.01884332 -0.00013185 0.00296880 +C 2.63481933 7.44755038 6.23064971 0.00140844 -0.00293988 0.00053318 -0.00017666 -0.01521449 0.00720277 -0.00468794 -0.00167861 0.00101066 +H 3.03274790 4.20460348 5.40272587 0.01103072 0.01089460 0.02034587 0.11788024 -0.04115341 0.05253471 0.01970522 -0.00207415 -0.00505799 +C 3.99601491 7.84317918 6.37873803 -0.00909268 -0.00487628 -0.00425425 -0.04201659 -0.03907815 -0.02576426 -0.00160373 -0.00358016 -0.00177870 +H 1.89339964 8.14979715 6.45958743 -0.00898644 -0.00068076 -0.01445599 -0.07014760 -0.00278311 -0.07280058 0.00835768 -0.01366502 -0.00652760 +C 4.99605891 6.88721539 6.03753280 0.00211912 0.00288398 0.00079719 0.00870162 0.03136025 -0.00000370 0.00030313 0.00370130 -0.00131044 +H 4.30726339 8.79401347 6.73142101 -0.01152595 0.00369105 0.02353643 -0.16939276 -0.02489773 0.04154304 -0.03127143 -0.01553056 -0.01697137 +C 4.67180959 5.61932253 5.65789999 0.00505851 0.00280523 0.00152133 0.01855594 -0.01115102 0.01724712 -0.00121316 -0.00140904 0.00382549 +N 6.28385705 7.31778613 5.93361145 0.00154840 -0.00239630 0.00050285 0.01792575 0.03150307 0.01277409 0.00195271 0.01281884 0.00324932 +C 3.33375740 5.20840787 5.59620200 0.00558377 0.00366512 -0.00013075 0.01453251 0.02866673 0.00607747 -0.00041274 0.00050580 0.00170166 +H 5.45585319 4.80403216 5.54758043 -0.00628027 0.01637108 0.01113746 0.01581564 0.08977951 -0.02920860 0.03134051 -0.01877538 -0.02160613 +C 7.51688264 6.84200648 5.83362946 -0.00404493 0.00191710 -0.00394366 -0.03883255 -0.03806310 -0.01133314 -0.00389138 -0.00974405 0.00030258 +H 6.37926999 8.27702403 6.05338243 0.00641859 -0.00251306 -0.00368217 -0.01192610 0.07932515 -0.03595875 -0.00738567 -0.00136102 -0.00846023 +O 7.67755368 5.60883327 5.90040487 -0.00116404 -0.00632249 -0.00019531 0.00539195 -0.02313981 -0.00804722 0.00228054 -0.00069357 -0.00209532 +C 8.62366772 7.87014643 5.83028025 -0.00179188 0.00259208 -0.00201642 -0.00201651 0.02686259 -0.00649292 0.00373222 0.00018487 0.00314417 +H 8.27024128 8.84118129 5.34817673 0.03188879 0.03353027 -0.00273107 0.27674224 -0.01465707 -0.00635476 0.02561723 -0.00014298 -0.01162126 +H 8.91671103 8.18020952 6.78324724 0.02160549 -0.01301227 0.02146083 0.05467740 -0.15233834 0.07299019 -0.01520285 -0.02804407 -0.02513741 +H 9.47182947 7.38104563 5.38693472 0.00404768 0.00254997 0.00908349 0.04512289 0.07689351 -0.02516971 -0.00393266 0.01710628 -0.00945592 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99676904 5.69487409 5.80385911 -0.00144362 -0.00049402 0.00268522 -0.00712090 -0.00906924 0.00697435 -0.00101547 -0.00069593 0.00175669 +C 2.30825387 6.11920052 5.92006729 -0.00720354 -0.00329947 0.00111193 -0.02150564 -0.04006255 0.01423618 0.00188655 -0.00678172 0.00406433 +H 0.87358178 5.16322852 5.01969196 -0.02081878 -0.01634719 -0.01105757 -0.11737025 -0.00417017 0.07978707 -0.01634273 -0.00874893 -0.00172070 +C 2.70650915 6.77702246 7.09496282 0.00011068 -0.00109863 -0.00016800 0.02716483 0.00431825 -0.01640685 0.00374230 0.00168258 -0.00414130 +H 3.03263656 5.11612254 4.13381593 -0.01640828 -0.00502413 -0.00627215 -0.03850317 -0.01191890 0.07537163 0.00345224 -0.00138576 0.01975626 +C 4.06518012 7.29271330 7.16234720 0.00757115 -0.00411340 -0.00857916 -0.00476642 -0.03968129 -0.04794017 -0.00687484 -0.00451210 -0.00227642 +H 2.02605763 6.89888173 7.89245738 -0.01234334 0.00854890 -0.00253456 -0.03903482 0.12742010 -0.05400802 0.01784579 0.02163859 -0.02379957 +C 5.02314214 6.97788387 6.18680681 0.00101431 0.00559643 0.00224952 0.00312493 -0.00810209 -0.04116200 0.00040415 -0.00637780 -0.01196897 +H 4.30260817 7.90344972 8.00178311 -0.02706673 -0.01615564 -0.02737275 -0.04115774 0.01225261 -0.00329912 0.01190071 0.00221056 0.00124215 +C 4.65994582 6.05845388 5.09323026 0.00236879 0.00198443 -0.00441059 0.01449672 0.04204409 0.00358358 -0.00272394 0.00916812 0.00573031 +N 6.31176363 7.43639209 6.31793288 -0.00484326 0.00407058 -0.00103343 -0.00733742 0.01627741 -0.01229896 0.00350417 -0.00007777 -0.00341703 +C 3.32961561 5.67774139 4.99494472 0.00080411 0.00238382 0.00783134 -0.03548055 0.01435378 0.03477971 -0.00781719 0.00137782 0.00129959 +H 5.33169180 5.65274186 4.29829509 0.01730380 0.00490350 -0.01217769 -0.00836636 0.13603800 0.04304395 0.00057032 0.01870862 -0.00259445 +C 7.39614934 6.94931829 5.67448620 0.00313413 -0.00170958 -0.00185122 0.02808485 0.00183039 -0.00609655 0.00320942 0.00373375 0.00227331 +H 6.51834998 8.08233458 7.06148331 -0.00198076 0.00729646 0.00447923 -0.05772047 0.03299728 -0.02318844 -0.01174095 0.00458809 -0.00763669 +O 7.50684431 6.11691906 4.76383641 0.00104808 0.00322030 0.00202874 -0.00355506 0.01841164 0.01382039 -0.00161683 0.00136352 0.00110880 +C 8.70368046 7.52453153 6.08424442 -0.00059374 -0.00199602 0.00585265 0.02124697 -0.01037314 0.04627970 0.00853191 -0.00049293 0.00558175 +H 8.90656559 8.44112517 5.60241612 0.01194938 -0.03118702 -0.01491392 0.05568611 -0.03604552 -0.12673407 -0.00224849 -0.00135412 0.00646258 +H 8.72896929 7.72933959 7.14998425 0.02601019 -0.04043081 -0.01386551 0.11046256 -0.17355590 0.10042205 0.00476730 -0.00400794 0.02426149 +H 9.57001625 6.91731231 5.95443900 0.01107007 0.01539936 -0.00101124 0.02175059 -0.03242560 -0.09890302 -0.01938799 -0.01492276 -0.02067371 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99104214 5.73660347 5.73945188 0.00233864 0.00030448 0.00302942 0.00443139 0.00061783 0.01648128 -0.00066349 0.00255171 0.00319692 +C 2.27398486 6.13478543 5.85813698 0.00395576 0.00202695 -0.00088235 0.00739439 0.00288984 0.00260523 -0.00076450 -0.00272397 0.00163476 +H 0.86906531 4.92301186 5.23391816 -0.00846406 -0.01669719 -0.00565044 -0.00711102 0.02464103 0.06724551 0.00042464 -0.01668302 0.00045870 +C 2.63339352 7.45935690 6.22926512 -0.00292263 -0.00426606 0.00335279 0.01966415 -0.02589848 0.01098320 0.00470073 0.00116438 0.00021659 +H 3.15833730 4.02950126 5.67973002 0.00781697 -0.00536893 -0.00061258 -0.13855470 0.09113230 -0.08214918 -0.04183619 -0.00634805 -0.02159297 +C 3.99469897 7.84918739 6.32172831 0.00432582 0.00595818 -0.00350477 0.00814918 0.02924919 -0.01887432 -0.00001127 0.00367654 -0.00073625 +H 1.95896910 8.24430140 6.43504218 0.03339612 -0.02903951 -0.01372583 -0.12807353 -0.01263327 -0.03612957 -0.02966341 -0.00925272 -0.00176329 +C 4.98080660 6.92126266 6.07203162 0.00338398 0.00206988 0.00058273 0.03867771 -0.00280298 -0.00048350 0.00330153 -0.00328010 -0.00148706 +H 4.28191551 8.80966359 6.59829486 0.00899772 -0.00032107 0.00900906 -0.00054726 0.08920540 0.04429509 -0.01834866 -0.00703714 -0.00882615 +C 4.60358086 5.60153948 5.80656042 -0.00424267 -0.00248413 -0.01012484 -0.03122592 -0.01822728 -0.06079144 -0.00096688 -0.00173231 -0.00587183 +N 6.34331828 7.29967061 6.27450906 -0.00362216 0.00271606 0.00101691 -0.02277614 0.01542562 0.00706575 -0.00278655 0.00249213 0.00192242 +C 3.23851768 5.15450145 5.73572913 -0.00713070 -0.00228660 0.00170766 0.01472721 -0.01169540 0.01058613 0.00802767 0.00245000 0.00064144 +H 5.42547804 4.88920932 5.73072141 -0.01538906 0.01644428 0.01106038 -0.05150189 -0.06139138 0.00866447 -0.00283709 -0.02840813 -0.01279281 +C 7.55374217 6.82464162 5.80316313 -0.00714395 0.00722207 0.00350061 -0.06435267 0.04309181 0.00518875 -0.00698149 0.00244507 -0.00434819 +H 6.43057672 8.11988018 6.85163090 -0.01216822 -0.01112279 0.01295433 -0.04206556 -0.02974175 0.07871039 0.00035319 -0.00008647 0.00514014 +O 7.61879407 5.86049018 5.00728449 0.00485807 -0.00366302 0.00066627 0.03697574 -0.00133151 0.02768210 0.00459107 0.00417187 0.00787572 +C 8.73989809 7.77518645 6.19185147 0.00298788 -0.00439595 -0.00419904 0.00642016 -0.03237313 -0.03639981 -0.00155988 -0.00437693 -0.00248898 +H 8.90554807 8.02562810 7.20086905 -0.00888658 -0.00975469 0.01381488 -0.10621649 -0.15960806 0.05074949 -0.02101615 -0.03359506 -0.02493245 +H 9.64798521 7.33838068 5.75001930 0.00914310 0.01507150 0.01400306 0.09884982 0.06249037 0.08768737 0.01349863 -0.00354763 0.00636771 +H 8.57505824 8.73648609 5.69772374 0.00252584 0.01054544 0.00035768 0.04099920 -0.01925110 0.02065542 0.00734089 -0.00806153 0.00370724 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98980042 5.72378815 5.77670344 -0.00140766 -0.00427572 0.00083883 -0.01176171 -0.03264512 0.00675223 -0.00104468 -0.00490784 0.00157974 +C 2.31926600 5.95809541 5.94285786 -0.00285991 -0.00279924 -0.00225477 -0.01159951 -0.01629121 -0.03495428 0.00110016 -0.00176415 -0.00642347 +H 0.62398840 5.85092227 4.87598138 0.02798370 -0.00012223 -0.00331109 0.18443143 0.02574548 -0.02020157 0.00966183 0.00767634 -0.01852096 +C 3.03501233 5.21854184 6.91294805 0.00067060 0.00349991 -0.00332194 0.03468492 0.03780349 -0.02888918 0.00701505 0.00673391 -0.00406705 +H 2.43085629 7.42078312 4.30468224 -0.00933407 -0.01191365 -0.00017243 -0.06719008 -0.05257889 -0.01786620 0.00302016 -0.00759304 0.00595882 +C 4.46339008 5.44493535 6.96499521 0.00389626 -0.00314724 0.01127020 0.01598928 -0.03014849 0.06456549 0.00175317 -0.00305581 0.00488037 +H 2.55889979 4.43048900 7.51787412 -0.01209802 0.02925969 -0.00649740 -0.08325386 0.17224942 0.00680209 -0.00764146 0.01157482 0.01073129 +C 5.11397794 6.36983393 6.14297786 -0.00364503 0.00209056 0.00247301 -0.01095857 0.02780951 0.00688418 0.00119878 0.00405412 0.00118702 +H 5.11964522 4.84235910 7.56746258 0.00990566 -0.00709577 0.00335549 -0.03085814 -0.05534963 0.10920169 -0.01967765 -0.00369546 0.02422904 +C 4.33251372 7.12931812 5.25678485 -0.00020371 0.00305727 -0.00043850 -0.00696957 0.02569677 -0.00274452 -0.00250512 0.00544786 -0.00156547 +N 6.52006243 6.51035889 6.09239424 0.00025256 0.00279186 -0.00303805 -0.00459426 0.01001901 -0.01481302 -0.00240182 0.00031888 -0.00152878 +C 2.96396915 6.84702628 5.02777419 0.00090156 0.00162328 -0.00224501 0.00380448 0.00581875 0.01664684 -0.00171827 0.00022076 0.00537393 +H 4.87488181 7.94525983 4.83456268 -0.01790930 0.01509962 -0.00019275 -0.18757109 0.06167347 -0.17005143 -0.02604526 -0.01108915 -0.03244001 +C 7.37713974 7.45866096 5.63954434 -0.00416062 0.00151135 -0.00728573 -0.01006876 0.00657274 -0.01230157 0.00172629 -0.00095803 0.00427818 +H 7.04951149 5.79874771 6.54492146 0.01493783 -0.01124023 -0.00972519 -0.02388987 -0.04064831 -0.09599690 -0.01849159 -0.00221154 -0.01498799 +O 7.08469928 8.62699570 5.26420432 0.00550119 0.00035550 0.00335044 0.03932577 -0.01362659 0.01916651 0.00506941 -0.00299729 0.00168798 +C 8.83841772 7.04950941 6.04596493 -0.00268047 -0.00304949 0.00255575 -0.03820027 -0.01532758 -0.02318565 -0.00581570 -0.00108674 -0.00590220 +H 9.53343362 7.38368276 5.27208103 0.01117675 0.00848584 0.01975984 0.06030910 0.12323917 0.16579357 0.00130246 0.02228423 0.01957185 +H 9.00666204 7.47424754 7.02662606 -0.00180919 -0.03268943 -0.02528226 0.07663085 -0.10731757 0.05669678 0.00733949 -0.00835628 0.01586599 +H 9.00373523 5.97961227 6.09171453 0.00495848 0.00044089 -0.01118289 -0.02441823 -0.03148130 -0.07335755 -0.01279376 -0.00184456 -0.01435440 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97549974 5.78046770 5.61935757 -0.00263821 -0.00495471 0.00114093 0.01885407 -0.01827655 0.01239692 0.00625089 -0.00325405 0.00104206 +C 2.34904683 6.11967774 5.81513938 0.00171886 0.00422880 -0.00921032 -0.03108108 0.01841193 -0.04491431 -0.00746429 0.00093724 -0.00280586 +H 0.87155698 4.89768582 5.36173752 0.00441419 0.01905847 -0.01240645 -0.00066917 -0.01347819 -0.12266134 0.00217882 0.02095821 -0.00573226 +C 2.67615589 7.45432133 6.18206381 -0.00672743 0.00442661 0.00081665 -0.05030203 0.01303532 -0.01086275 -0.00990937 0.00254308 -0.00274322 +H 3.20523942 4.02754298 5.66618018 -0.00314886 0.01398663 -0.00463136 -0.09241730 0.11254403 -0.02030699 -0.01868686 -0.00647774 -0.00378843 +C 4.01353785 7.81427162 6.33193307 -0.00875039 -0.00631928 0.00111920 -0.02650337 -0.02914999 0.01825071 0.00029016 0.00066907 0.00382072 +H 1.95090120 8.16135928 6.22150587 0.00278856 0.01182395 0.01894870 -0.08102785 0.12075088 0.13377058 0.01142744 -0.02050229 0.00789828 +C 5.05372556 6.88563293 6.20669646 0.00434010 0.00327086 -0.00007701 -0.01539701 0.00605102 -0.01160534 -0.00607013 -0.00134693 -0.00251972 +H 4.37601276 8.76354501 6.58507003 0.01977184 -0.00520585 -0.00297991 -0.09445426 0.04448222 -0.03319564 -0.04624822 -0.00297508 -0.00696222 +C 4.68774868 5.53480899 5.93796360 0.00633262 -0.00040292 0.00499872 0.04754993 0.00608456 0.05023113 0.00627854 -0.00019389 0.00810608 +N 6.31109061 7.39728641 6.32196281 -0.00383741 -0.00347561 -0.00123544 0.02656081 -0.01869165 -0.00780606 0.01032184 -0.00121907 -0.00024512 +C 3.35186466 5.12286158 5.83184879 0.00452133 0.00364162 0.00271333 0.02887561 0.03748597 0.00090236 0.00239866 0.00939644 -0.00238265 +H 5.46945578 4.80365790 5.96914947 -0.01426894 0.00213071 0.00000949 0.01347080 -0.08221839 -0.05900502 0.00811264 -0.00631935 -0.01120084 +C 7.45130378 6.95711562 5.74480947 0.01120906 -0.00167684 0.00776183 0.01734860 -0.05593069 0.03236544 -0.00616810 -0.01235613 0.00180228 +H 6.43246580 8.24940446 6.81996896 0.02843259 -0.00659229 -0.00700729 0.08353219 -0.01547749 -0.00070153 -0.00878355 -0.00612913 0.00159625 +O 7.44152173 5.97662182 4.98804220 -0.00360431 0.00153270 -0.00118325 -0.01413039 0.01617547 -0.00592501 -0.00026910 0.00201878 -0.00105470 +C 8.72894861 7.59034004 6.09232975 -0.00193466 -0.00018286 -0.00366092 0.00719602 0.00459987 -0.02125448 0.00278556 0.00274825 -0.00259816 +H 8.71019821 7.47836285 7.19830158 -0.00848223 0.00735850 -0.01742259 0.07435860 0.12307384 -0.03549858 0.02889679 0.02193329 0.01519929 +H 9.61786300 7.11235842 5.68315618 0.01555638 -0.02163253 -0.01073034 -0.05841469 -0.04249454 -0.02698844 -0.01886625 0.00767041 -0.00166344 +H 8.62775068 8.60304650 5.74371701 -0.02026947 -0.00155952 0.00089712 -0.02256201 0.03889597 0.01408747 0.01639668 -0.00017539 0.00016376 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.05551242 5.83913760 6.02146607 0.00494389 0.00031251 0.00196285 0.02151609 -0.00944111 0.01274363 0.00018863 -0.00349953 0.00178390 +C 2.34366125 6.18338298 5.84177413 -0.00294311 0.00695633 0.00141326 -0.01662054 0.00644290 0.00823863 0.00127815 -0.00497213 0.00102846 +H 0.99952802 4.93237821 6.10539372 0.01552316 -0.01224490 0.00577083 0.04495891 -0.01670537 0.02821956 -0.00228652 0.01556172 0.00165805 +C 2.67148754 7.48488964 6.02140242 0.00692264 -0.00640051 -0.00367540 0.04918672 0.01600429 -0.01322478 0.00663666 0.00877224 -0.00123590 +H 3.08735998 4.15096650 5.49343948 0.00768903 -0.02420843 -0.01006326 0.03616811 0.04166831 0.00555667 -0.00592904 0.00731516 0.00949069 +C 4.01219665 7.89663560 5.96341846 0.00574881 0.00349996 0.00380437 0.01022156 0.01722870 0.03144541 -0.00082767 -0.00086319 0.00400517 +H 1.88894897 8.20370656 6.36016743 0.01915228 0.01625387 -0.02435253 0.12340345 0.06951711 -0.24029206 -0.00737849 0.02116847 -0.03175577 +C 4.96304746 6.91665049 5.81318336 -0.00396643 -0.00612073 -0.00249568 0.01409455 -0.01911595 -0.00189318 0.00533085 0.00005552 0.00205653 +H 4.24790047 8.94122870 6.22880426 -0.00963457 0.00560992 -0.00521967 -0.01376026 0.02069633 -0.09627396 0.00933843 0.01241078 -0.01603532 +C 4.68032274 5.59127558 5.73659096 -0.00263445 -0.00505061 -0.00600713 -0.03717126 -0.05199727 -0.06144700 -0.00699161 -0.00612423 -0.01026405 +N 6.25057001 7.34080591 5.98415738 -0.00393295 -0.00050305 -0.00005247 -0.02790894 0.01420137 0.00498831 -0.00303218 0.00405163 0.00102379 +C 3.32170649 5.20770955 5.64815124 0.00020878 0.00130416 0.00490282 0.00071206 -0.01488250 0.02993376 -0.00200372 -0.00299197 0.00351487 +H 5.52304289 4.86125210 5.59571369 -0.01442652 0.00997021 -0.00816431 -0.11756222 -0.07329355 -0.03470741 0.00332376 -0.04425651 -0.00662935 +C 7.44422051 6.75537582 5.95805604 -0.00760545 0.00130862 0.00401507 -0.02058389 0.03172486 0.01616973 0.00263757 0.00545264 -0.00038067 +H 6.29976949 8.29773672 6.26605745 -0.01093285 0.02060009 -0.01462290 -0.05107617 0.03406634 -0.15247910 -0.00306624 -0.00266920 -0.02376609 +O 7.69843689 5.58579245 5.69383844 -0.00233475 -0.00194745 -0.00239513 -0.01790623 -0.00483568 -0.01094724 -0.00325384 0.00198158 -0.00029262 +C 8.55352941 7.83334938 6.13506980 0.00457116 0.00671893 0.00434571 0.02251334 0.00626691 0.01295407 0.00113613 -0.00350329 0.00002288 +H 8.20482627 8.83359389 6.29887245 -0.00494883 0.00511648 0.00576815 -0.01251179 0.03298390 0.02935676 0.00888601 -0.01266075 0.00317300 +H 9.18425300 7.54324090 6.97591287 -0.01676134 -0.01856201 -0.00221599 -0.04843244 -0.09223738 0.04401884 0.00089204 -0.00165605 0.00951562 +H 9.12627944 7.74362917 5.23529083 0.02398047 0.00399814 -0.01441512 0.10298595 0.11180094 0.05452051 0.00125571 0.02231971 0.03138011 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98346855 5.66909763 5.97783666 -0.00352957 -0.00368674 0.00133148 -0.01277476 -0.01818634 0.01355179 0.00053448 -0.00367416 0.00117316 +C 2.28259292 6.08727108 5.93834815 -0.00185928 0.00061312 0.00257590 0.01546909 0.02690991 0.02383171 0.00276438 0.00562674 0.00392873 +H 0.90192720 4.85826469 5.56176104 -0.00044916 0.00856019 0.00844979 -0.05199839 -0.05982036 0.00368326 -0.00709248 0.01653843 0.01361315 +C 2.72656356 7.30342126 6.55711921 -0.00835654 0.00898007 0.00050932 -0.07240212 0.03485417 0.00101813 -0.00801888 0.00138732 -0.00091875 +H 3.07026515 4.35837730 4.84655163 0.03775589 0.03767247 -0.00026656 0.15876891 0.08696713 -0.07343280 -0.00601542 -0.02602847 -0.02206543 +C 4.02362231 7.80969680 6.47716007 0.00121358 -0.00545485 0.00390182 0.00044451 -0.05638061 0.01354253 -0.00193965 -0.00637052 0.00222208 +H 1.95965266 7.77704629 7.21473648 0.01665679 0.00048578 -0.00921955 0.00770435 0.17098870 -0.04785371 -0.02518782 0.04513220 0.00024226 +C 4.98466243 7.04417697 5.80566450 0.00610610 -0.00301421 -0.00378663 0.03295874 -0.02194855 -0.01848677 0.00209533 -0.00411217 -0.00124160 +H 4.32887757 8.69322538 6.93450256 -0.02106170 -0.02020368 -0.00205474 -0.10422154 0.03584938 0.10407739 -0.01073625 -0.01324158 0.00572416 +C 4.63729365 5.81455063 5.23067007 0.00300128 -0.00505502 -0.00721261 0.01890557 -0.01755330 -0.04153202 0.00341722 0.00100286 -0.00394056 +N 6.27439798 7.52040384 5.86055778 0.00042480 0.00186337 -0.00136836 0.02125079 -0.02749965 -0.00478300 0.00400514 -0.00430208 0.00039080 +C 3.32079803 5.34909383 5.31271677 0.00323133 0.00654094 0.00152202 0.00620754 0.04174632 0.00491495 0.00025233 0.00558873 -0.00057475 +H 5.35641858 5.20815159 4.68880127 -0.00102419 0.01105948 0.00837371 0.08143074 -0.01904747 0.00252532 0.01202631 -0.01261875 -0.00604312 +C 7.44257034 6.75469624 5.93020909 -0.00401408 -0.00025617 0.00108364 -0.00537933 0.07071897 -0.00944811 0.00476174 0.01232781 -0.00448337 +H 6.36654660 8.46272439 6.11294739 -0.01031534 -0.00874393 -0.01130056 -0.01619487 0.05222636 -0.07995993 0.00380674 -0.01622272 -0.01851818 +O 7.67354693 5.59765764 5.74935615 0.00299811 -0.00097582 0.00211800 0.00402507 -0.02020826 0.01622569 -0.00233216 -0.00152938 0.00293526 +C 8.65287866 7.72079922 6.06514125 0.00050639 0.00047345 -0.00251290 -0.00769375 -0.00942303 0.00022758 -0.00228135 -0.00398497 0.00019069 +H 8.51374246 8.41049208 6.97408252 -0.02002820 -0.00923147 -0.01238908 -0.09705861 -0.09869246 -0.06852026 -0.00841416 0.00526248 0.02792974 +H 9.59750425 7.18883012 6.21599897 -0.00131261 -0.00861911 -0.00008100 -0.04165805 -0.04472532 -0.01000973 -0.00555603 -0.00536458 0.00083359 +H 8.74240592 8.38971665 5.17678429 0.00435053 0.00344203 0.02945506 0.04371060 0.04651051 0.07232126 0.00752185 0.01229179 -0.01495176 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.09159636 5.81678693 5.72383105 0.00277081 0.00184843 -0.00054580 -0.00206558 0.00647145 -0.00895345 -0.00262549 0.00140550 -0.00009896 +C 2.36393369 6.10822115 5.89684139 0.00075489 -0.00183900 0.00037612 0.01838899 -0.00643943 0.02767089 0.00348237 -0.00116413 0.00569560 +H 0.99359707 5.24246681 4.93695726 0.00576802 -0.00332914 0.00156351 -0.01164074 -0.01804495 0.04785851 -0.01093214 -0.02044615 -0.01299057 +C 2.71602051 7.06919038 6.88468057 0.00472497 -0.00378463 -0.00751783 0.03711262 0.00794070 -0.01961437 0.00605401 0.00629577 0.00223111 +H 2.93250497 4.73007421 4.41671656 0.00786703 -0.00043273 0.00543998 0.13219652 -0.07650397 0.00744751 0.01973020 -0.02200966 -0.00539429 +C 4.05624903 7.44981006 7.10062751 0.00471684 0.01030109 0.00901124 0.03992199 0.02391414 0.00307320 0.00377718 -0.00273165 -0.00697977 +H 2.04608379 7.59858543 7.51608906 -0.00340629 0.02615239 0.01219099 -0.02711212 -0.02580217 -0.09575878 -0.00523366 -0.02646649 -0.03201911 +C 5.03425017 6.88884419 6.17679485 -0.00681559 -0.00822358 -0.00208431 -0.06041018 -0.03074476 0.01099898 -0.00439158 0.00121960 0.00501406 +H 4.37307500 8.16218468 7.85287659 0.00797506 0.01015243 -0.00721370 0.00044209 0.09225252 -0.01066809 -0.00688334 0.00505540 -0.00467132 +C 4.62046204 5.93961496 5.16111388 0.00406599 0.00165755 -0.00888960 0.01379950 0.01887731 -0.02378003 -0.00150725 0.00135955 0.00141787 +N 6.29736684 7.38780542 6.28909158 -0.00080577 -0.00367628 0.00783537 0.00070956 -0.02997987 0.04117081 -0.00118940 -0.00502241 0.00381662 +C 3.32385502 5.42717957 5.16579580 -0.00168841 -0.00287674 0.00000800 -0.00485516 0.00010816 -0.02139544 0.00239421 0.00359116 -0.00549550 +H 5.31192573 5.65592278 4.37577841 0.00781084 0.00061871 0.03470193 0.08251376 -0.13921824 0.07625026 -0.00110572 -0.03006597 -0.00629856 +C 7.40099481 6.89784150 5.72230086 -0.00210168 -0.00069246 -0.00190209 -0.01375262 -0.00309763 0.00107389 -0.00039527 -0.00006811 0.00236868 +H 6.46910704 8.21387705 6.83192860 0.00394787 0.00460634 -0.00655575 -0.04892483 0.02011673 -0.01056214 -0.01547502 -0.00451753 0.00184900 +O 7.47348081 5.85920479 5.10892661 -0.00667277 -0.00168836 -0.00019142 -0.03821754 -0.02097872 -0.00758617 -0.00372229 -0.00363752 -0.00157540 +C 8.62739287 7.69855438 5.90597536 -0.00045552 0.00429482 0.00031279 0.02700191 0.05344931 -0.01087668 0.00368356 0.01199461 -0.00319933 +H 8.55508635 8.44034399 6.66871183 0.01373422 -0.00025821 0.00332160 0.06170260 -0.03257392 0.12534212 0.00502727 -0.01924536 0.01312539 +H 9.60345618 7.15915968 5.98712134 0.01173415 0.00063755 -0.00244424 -0.08338369 -0.01453258 -0.00521938 -0.00825377 -0.01315075 -0.00331680 +H 8.80328306 8.31422993 5.06246786 -0.02045056 0.02425433 -0.01085518 -0.15794265 0.07846615 -0.05285245 -0.01565684 -0.00816944 0.01071266 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97393678 5.69093785 5.97662454 -0.00026555 -0.00075033 0.00250020 -0.00063148 -0.00573846 0.01533258 0.00035442 -0.00203878 0.00165383 +C 2.25915881 6.10934638 5.86505407 0.00074811 -0.00143299 -0.00436342 0.01200194 0.00775668 -0.01945749 0.00244979 0.00156308 -0.00180628 +H 0.91156002 4.79040279 5.87197397 0.00193743 -0.00481087 0.00474767 -0.01773595 -0.02994993 0.02556797 -0.00435671 0.02120168 0.00522248 +C 2.63379045 7.43164707 6.23582467 0.00909324 -0.00356246 -0.00503112 0.04399273 -0.01032908 -0.02651938 0.00081817 0.00305855 -0.00094865 +H 3.18532107 4.22193044 5.31873877 0.02558874 -0.04330716 -0.01126569 0.02794661 -0.03667051 -0.04650359 -0.02075009 0.02712837 -0.00128048 +C 3.97750403 7.86501912 6.30232703 0.00222660 0.00352645 0.00909254 0.02164158 0.00908427 0.06352655 0.00542368 0.00057792 0.00881620 +H 1.92659210 8.13026772 6.54593085 0.01433324 0.00219644 0.00026005 -0.00741619 0.00369334 -0.00568282 0.00283994 -0.01812761 -0.01026453 +C 4.98418652 6.96100482 5.99029115 -0.00168386 -0.00360517 -0.00355841 0.00172805 0.00686745 -0.02387719 0.00213019 0.00634747 -0.00247652 +H 4.24432301 8.79174531 6.67280320 0.02884588 0.00777763 0.01934053 0.06117306 0.05354771 0.09448341 -0.02169051 -0.02023876 -0.00276251 +C 4.65216706 5.72150393 5.48168898 -0.00294845 0.00813309 -0.00063409 -0.04020575 -0.00751889 0.00105909 -0.00774249 -0.00830488 0.00172476 +N 6.27984862 7.37645348 6.17988557 0.00123673 0.00277540 -0.00421516 0.02515356 0.03186670 -0.02445616 0.00428523 0.00560042 -0.00302985 +C 3.30092901 5.25101045 5.52793626 -0.00865259 -0.00367922 -0.00255910 -0.01403420 -0.04570289 -0.03459855 0.00426934 -0.00768304 -0.00684666 +H 5.38566069 4.94762282 5.22191206 0.01551360 -0.00369686 0.03231381 0.03642504 0.10541761 0.17855582 0.00435334 0.01092587 0.00771998 +C 7.48787388 6.81938781 5.84278652 -0.00083442 0.01033321 0.00551591 -0.00296615 0.06223029 0.02578277 0.00046842 0.00070508 -0.00102625 +H 6.33767297 8.26939478 6.63930341 0.02051785 0.02171788 0.00254739 0.10591589 0.00903919 -0.07047521 0.00479054 0.00036184 -0.01249463 +O 7.69449750 5.75235896 5.32210286 -0.00112387 -0.00135281 0.00153493 -0.01700499 -0.00599251 0.01303753 -0.00399939 0.00190443 0.00325386 +C 8.72387114 7.70019195 6.15453514 -0.00791631 -0.00682410 -0.00104545 -0.02860064 -0.05298208 -0.00152751 -0.00112684 -0.00247614 0.00020850 +H 8.78797864 7.80508107 7.24656873 -0.00980489 -0.00661334 -0.01129067 -0.05105282 -0.01801061 -0.01049544 -0.00512176 0.00509811 0.01068307 +H 9.65766378 7.20423664 5.81411412 0.02993032 0.00973430 0.00273755 -0.02419271 0.06693961 0.06831196 -0.01408946 -0.00824656 0.00611927 +H 8.75689043 8.67749039 5.76400634 -0.00322352 -0.02260533 -0.01408347 -0.12390292 -0.04607507 -0.15819160 -0.02738847 -0.01977322 -0.01067539 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.07354368 5.72541610 5.84425865 0.00151481 0.00268637 0.00148105 -0.00913519 0.02234431 -0.00987303 -0.00303186 0.00244763 -0.00223045 +C 2.32958474 6.08109392 5.68503557 0.00388123 0.00354318 -0.00433001 0.03706306 0.03181255 -0.01978472 0.00222828 0.00311232 0.00116557 +H 0.97329188 5.18595481 6.57135855 0.00652490 -0.00124188 -0.01279944 -0.00317019 -0.05063721 -0.01336510 -0.00282747 0.01384747 -0.02496416 +C 2.91106607 6.73182730 4.51283792 -0.00290923 -0.00368839 0.00238804 -0.03768909 -0.02819555 0.01844813 -0.00583487 -0.00312263 0.00149295 +H 2.60404600 5.39215906 7.69966273 0.00209115 0.00451285 0.00304878 0.06962644 0.07422618 0.04332423 0.00909233 0.01335211 0.00609197 +C 4.29793740 6.98859966 4.52321508 -0.00694917 -0.01121412 0.00023334 -0.05047457 -0.06616292 -0.01970131 -0.00692399 -0.00733651 -0.00443467 +H 2.33659151 7.00098964 3.64286986 -0.01609705 0.02443665 -0.01295250 -0.04937729 0.05983809 0.09896410 -0.00678965 -0.00638593 0.02829031 +C 5.07879406 6.59085349 5.60700842 -0.00181397 0.00415236 -0.00449724 -0.01270568 0.03027368 -0.01325641 -0.00052690 0.00263148 0.00319240 +H 4.74279246 7.48447255 3.65662150 -0.00350049 0.01717264 0.00921565 -0.05551861 0.01572716 0.07717051 -0.00769323 -0.00732619 -0.00460381 +C 4.46912737 6.13912059 6.75021329 0.00275887 -0.00291634 0.00555328 0.00980134 -0.02916209 0.05800898 -0.00024617 -0.00312815 0.00563825 +N 6.42110438 6.69540971 5.49695038 0.00361903 0.00276061 0.00039678 0.04556379 0.00764229 -0.03463913 0.00531817 0.00142874 -0.00516116 +C 3.08820744 5.85561576 6.84143012 -0.00357314 -0.00006785 -0.00042323 0.00385053 0.00167875 -0.01820476 0.00608877 0.00057350 -0.00328130 +H 5.09841434 5.91727748 7.64189340 0.00562218 0.01471307 0.00240458 0.01434757 0.06271012 0.01865136 0.00913199 -0.00414137 0.02319665 +C 7.38321112 7.09282247 6.30894319 0.00360367 0.00574241 0.00308709 0.01281899 0.03937733 0.01858802 0.00090505 0.00417884 -0.00079517 +H 6.83114490 6.39087422 4.59690587 0.01448714 -0.03178565 -0.03066486 -0.06514763 -0.04478933 0.05450380 -0.00205670 -0.00132194 -0.01094608 +O 7.22930257 7.44081080 7.48834059 -0.00551349 -0.00458033 -0.00065805 -0.03844378 -0.03104956 -0.00278417 -0.00534737 -0.00375350 0.00094536 +C 8.72003892 7.19009313 5.65108030 0.00428618 0.00125737 0.00022211 0.05013839 0.01469883 0.00788227 0.00827517 0.00382236 0.00336267 +H 8.84240034 7.98615218 4.91357777 0.00716082 0.01652599 0.01881549 -0.02626634 0.10815866 0.11315164 -0.00906801 0.01062843 0.00959296 +H 9.35656836 7.49901407 6.49897742 0.00863208 -0.01615418 -0.01319016 0.17593178 -0.13907787 -0.06882014 0.03867563 -0.02077024 -0.00012544 +H 9.13432799 6.27143530 5.18697675 -0.00321715 0.00154800 -0.00906639 -0.09095721 0.01349263 -0.02241228 -0.01662031 -0.00572167 -0.00997078 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.93941494 5.77409065 5.87739535 0.00873947 -0.00259759 0.00107100 0.07894766 -0.01898017 0.01202968 0.01134840 -0.00295939 0.00393525 +C 2.33840517 5.95005632 5.98175026 0.00457073 0.00431684 0.00097099 -0.01096249 0.03215272 0.00159668 -0.00597075 0.00460674 -0.00283540 +H 0.63784885 5.69351877 4.94611982 -0.01392516 -0.01903370 0.01956166 -0.07295092 -0.12998513 0.11178006 -0.00546766 -0.01868782 -0.00597546 +C 2.92186455 6.07850074 7.25541272 -0.00390556 0.00199566 -0.01059016 0.01272757 0.02001755 -0.07375213 0.00679437 0.00341029 -0.00559422 +H 2.71339018 6.16096955 3.86177453 -0.01327094 0.01929655 0.00703907 -0.14407321 0.07301687 0.02939700 -0.02516379 0.00154713 -0.00196394 +C 4.31093136 6.40982128 7.32837807 -0.00000445 -0.00063108 0.00101121 -0.02274171 -0.00569985 0.00848557 -0.00662998 -0.00054461 -0.00366604 +H 2.26395266 5.92879482 8.12050952 0.03674523 0.01073260 -0.03153112 0.10909320 0.04003512 0.02515838 -0.00503548 0.00134572 0.02095692 +C 5.06666079 6.64111098 6.16831077 -0.00416742 -0.00164564 -0.01073119 -0.01306104 -0.01382915 -0.02405146 0.00161151 -0.00261251 0.00722057 +H 4.79746979 6.48365949 8.33268856 -0.01908761 0.01017899 0.02204726 -0.17095106 0.05157729 -0.00994981 -0.01013906 0.00560009 0.00576812 +C 4.46892721 6.53436547 4.89703387 -0.00573585 -0.00355570 0.00282103 -0.03614728 -0.03085551 0.01676009 -0.00656429 -0.00478176 0.00188307 +N 6.38988813 6.91768590 6.41716470 0.00167545 -0.00507856 0.00638195 0.01762760 -0.02933652 0.03141259 0.00108456 -0.00334779 0.00080698 +C 3.13464743 6.18240063 4.85632282 -0.00872333 0.00276720 0.00326242 -0.06820150 0.02428011 -0.00932372 -0.00942437 0.00440716 -0.00542877 +H 5.04813176 6.61482490 3.93271255 -0.02164819 0.00561928 0.01420681 -0.10204544 0.10026778 0.06276475 0.00837835 0.02162391 -0.01971254 +C 7.40653005 7.21569466 5.60658994 0.00142442 0.00280392 0.01141836 0.01025984 0.01734218 0.04899265 0.00110333 0.00238298 -0.00087996 +H 6.75017679 6.95104721 7.40176825 0.00175233 0.00017914 -0.00767640 -0.10270719 -0.06092381 0.03578853 -0.01827890 -0.01597536 0.03655786 +O 7.31812457 7.38889718 4.40951366 0.00488771 -0.00105428 -0.00254840 0.03252382 -0.00895582 -0.00879148 0.00413919 -0.00165962 0.00201351 +C 8.75995138 7.33794869 6.30250379 -0.00222347 0.00189092 -0.00391484 0.00173874 0.02181789 -0.02918722 0.00137060 0.00382997 0.00035114 +H 8.63184508 7.07259590 7.31357088 0.01227373 0.00077420 -0.00917985 0.10678358 0.06537106 0.06059584 0.01674002 0.02152948 -0.00707464 +H 9.56393272 6.64284498 5.92890807 -0.01376144 -0.00765443 -0.00168460 -0.17063598 -0.03792896 -0.08019294 -0.01349420 -0.01662187 -0.02821145 +H 9.14661944 8.35372768 6.15145124 0.01494577 0.01380500 -0.00947504 0.03925216 -0.02758484 -0.00258945 0.00259148 -0.00800498 0.00066297 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00576431 5.67829842 5.76084557 0.00158885 -0.00064957 0.00104273 0.00216359 0.00312338 -0.00039550 -0.00053927 0.00223796 0.00163100 +C 2.27191242 6.16980590 5.84402016 0.00025001 -0.00662672 0.00336397 -0.00122313 -0.02411257 0.03566472 0.00016848 -0.00092895 0.00583222 +H 0.82009180 5.30130558 4.88494873 0.00007625 0.00944529 -0.02127178 0.02032080 0.09499368 0.00967346 -0.00355020 0.00109592 -0.01930986 +C 2.63066595 7.49564328 6.31210287 -0.00233152 -0.00301851 -0.00199159 -0.01422019 -0.05232533 -0.01890055 -0.00024746 -0.01186378 -0.00267400 +H 3.08359992 4.17943386 5.32509359 0.02023995 -0.01002813 0.01746635 0.04498087 0.06710504 0.10857984 -0.00757871 0.01099958 0.00354184 +C 4.01134491 7.82649665 6.34317451 -0.00088989 -0.00402470 0.00076169 -0.03939715 -0.00150918 0.01524417 -0.00930558 0.00462993 0.00253937 +H 1.85819128 8.23979800 6.65199256 0.00716065 -0.01136119 0.01235265 0.03899895 -0.11104219 0.02779610 -0.01836815 -0.00062518 0.00095232 +C 5.00178152 6.94624757 5.96793470 -0.00294716 0.00613194 0.00010209 0.00255349 0.02301996 -0.00885896 0.00183675 -0.00017856 -0.00209750 +H 4.31218303 8.76327267 6.77574171 -0.02824067 0.00400590 -0.01844801 -0.16467674 0.11242676 -0.16586667 -0.01592619 0.01467250 -0.02572719 +C 4.63960335 5.61606564 5.70076396 -0.00466842 0.00184124 0.00575026 -0.02920953 0.02321569 0.02690014 0.00010107 0.00684192 0.00139139 +N 6.30738425 7.46542179 5.83130603 0.00255914 -0.00067186 -0.00723886 0.00257768 -0.02967426 -0.04000744 -0.00104030 -0.00254437 -0.00378305 +C 3.25688815 5.22226583 5.59709566 0.00200259 0.01070176 -0.00293953 0.05208309 0.05028419 -0.01767903 0.00903651 0.00333455 -0.00104681 +H 5.41967879 4.86743546 5.51098978 0.00657105 0.03597043 -0.00646782 0.01090655 0.12983591 -0.07367970 -0.00293901 -0.01006410 -0.01211332 +C 7.49353332 6.82126040 5.84604470 0.00108629 0.00579983 0.00033149 0.01160636 0.03356400 0.00878057 0.00143292 0.00010803 0.00192731 +H 6.33752967 8.46369560 5.76684654 0.00789634 -0.03845418 0.01312984 0.08973652 0.03086135 0.07808740 0.00879535 0.00253481 0.00644992 +O 7.67249088 5.60494372 5.94690472 0.00016427 0.00030317 -0.00118706 -0.00170662 0.01407784 -0.01095797 -0.00058777 0.00439661 -0.00192228 +C 8.69611043 7.78829477 5.85894360 0.00235269 -0.00379476 0.00651223 0.00300346 -0.04370956 0.03101085 0.00199205 -0.00874855 -0.00044258 +H 9.43278801 7.36688522 6.54757065 -0.02436503 -0.01354292 -0.03304955 0.03472438 -0.15249107 -0.01096015 0.01985395 -0.01617397 0.02415496 +H 9.13619224 7.83289553 4.91939936 0.00731813 -0.02463253 0.01263681 0.06968874 -0.11570138 -0.03525419 -0.00750322 -0.00673792 0.01285066 +H 8.47192527 8.80537288 6.23775881 0.00126707 -0.02009827 -0.01515274 -0.01136029 -0.01707323 -0.06209607 -0.00019395 0.01544167 0.00169724 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.90798391 6.03367072 5.82788884 -0.00379531 -0.00096381 -0.00158382 -0.00831443 -0.00712662 -0.00948037 0.00227742 -0.00143666 -0.00371454 +C 2.30054807 6.05251866 5.67996930 -0.00030080 0.00183152 -0.00280437 -0.01046680 0.01147863 0.00278117 -0.00048673 0.00095643 0.00370337 +H 0.61367553 6.11331068 6.74032842 -0.01032726 0.02657748 0.01812622 -0.00306257 0.13678386 -0.08060324 -0.00513075 0.01975496 0.00353202 +C 2.93023559 6.54529108 4.51244146 0.00037038 -0.00442614 -0.00516474 0.00500405 -0.03180666 -0.02317116 -0.00284285 -0.00406299 -0.00175041 +H 2.53106312 5.35031767 7.70530830 0.00425632 0.01765399 0.00962477 0.15098111 0.13376240 0.03084542 0.02615486 0.00880276 0.01276360 +C 4.33313963 6.85477206 4.47226184 -0.00067985 -0.00150415 0.00028443 -0.03986215 0.00171663 -0.00220699 -0.00971782 0.00210278 -0.00082513 +H 2.32572409 6.71455714 3.65815015 -0.01177809 0.00660400 0.02444970 -0.09812212 0.07994824 0.01707882 0.00532021 0.00623047 -0.00262926 +C 5.04324759 6.73647501 5.67932114 0.00374594 0.01547767 -0.00542401 -0.00131707 0.06804972 -0.01045026 -0.00455820 0.00180661 0.00458800 +H 4.77447679 7.33249597 3.60071233 -0.02792351 0.01377017 -0.02091490 -0.17967414 -0.02508895 -0.03996574 -0.01135139 -0.01331742 0.00179435 +C 4.43157813 6.17935387 6.83805751 0.00549802 -0.00232380 0.00524292 0.04522091 -0.01185352 0.01576551 0.00967520 0.00021677 -0.00123270 +N 6.31084039 7.21527220 5.59896420 -0.00168254 -0.00625378 0.00188195 0.02813035 -0.02759633 0.02858691 0.00807207 0.00090306 0.00308762 +C 3.05797715 5.76926870 6.83000440 0.01183262 -0.00236117 -0.00054185 0.07322732 0.00007487 -0.01382948 0.00751832 0.00315321 -0.00450839 +H 4.96876036 6.06356700 7.73536012 0.00918818 -0.00135630 0.00686709 0.09101758 -0.01048432 0.04445110 0.00272689 0.00014961 -0.01392832 +C 7.47071644 7.02001470 6.30004113 0.00282368 0.00033541 0.00211202 -0.01176455 -0.01581396 0.01289537 -0.00493448 -0.00495445 0.00167797 +H 6.42182901 7.92376089 4.90330037 -0.01161713 -0.01283335 0.02954411 -0.01886300 0.01873494 0.01035282 0.00942013 -0.00281982 -0.00623862 +O 7.60740039 6.23082692 7.25246676 -0.00476135 -0.00096578 0.00191250 -0.03471140 0.00189908 0.00752261 -0.00488939 0.00116439 0.00072673 +C 8.67025164 7.76068244 5.73209495 -0.00386449 -0.00299632 -0.00019955 -0.01910060 -0.01945551 -0.00608884 -0.00149074 -0.00176690 -0.00294900 +H 8.76242172 8.80948754 5.98581016 -0.01549645 0.00237780 -0.01188053 -0.10249533 -0.01959754 0.05739725 -0.00910833 -0.01415586 0.02859030 +H 9.54150836 7.21125494 6.03585442 0.00309009 -0.01836948 -0.00672870 0.02199786 -0.02247386 -0.07534496 -0.00342188 0.01635794 -0.01603121 +H 8.61924680 7.73860826 4.67099640 -0.01166875 0.03504781 -0.00306193 -0.05761159 0.14638057 -0.04077127 -0.00385003 0.00113774 0.01211087 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02827713 5.67020778 5.99239474 0.00476747 0.00151568 0.00188243 0.03254565 0.02128828 0.02320629 0.00295594 0.00264929 0.00374289 +C 2.33387566 6.10145967 6.00312531 -0.00298217 0.00196387 0.00516054 0.00055948 -0.01799168 -0.01030316 0.00485352 -0.00747548 -0.00839589 +H 0.96193581 4.83880789 5.53194633 -0.00351853 0.02276887 0.01225464 -0.06610294 0.01702305 0.00119794 -0.00915673 0.00638435 0.00164668 +C 2.75014520 7.20258472 6.73333145 0.00045227 -0.00599485 0.00084720 -0.02612796 -0.02841856 0.02302771 -0.00351571 -0.00035065 0.00476538 +H 2.95957124 4.63493903 4.50816734 -0.01772104 0.00792539 -0.01226835 -0.08065742 0.06536171 -0.10677461 -0.00322414 -0.00024174 -0.02184993 +C 4.03703276 7.62131819 6.67544827 0.00522455 0.00381584 -0.00510677 0.01903159 0.04883741 -0.00385908 -0.00485309 0.00862473 0.00435432 +H 2.00063272 7.65658604 7.36040770 -0.00695273 0.02208008 0.00179426 0.05598864 0.11287043 -0.03783993 0.00966906 0.00630996 -0.00625165 +C 5.01065163 6.93833368 5.91143538 -0.00973711 0.00835603 0.00897950 -0.03733553 0.05511942 0.04817929 0.00133785 0.00298244 0.00047377 +H 4.24555515 8.46434527 7.33266735 -0.01566547 0.02023941 0.00314648 0.00845913 0.06691299 -0.09002163 0.02117176 0.01343904 -0.01645220 +C 4.63653038 5.88420574 5.10702435 -0.00022715 -0.00338212 -0.00379443 -0.01789553 -0.01181744 -0.02298059 -0.00425173 0.00309466 0.00040739 +N 6.27388028 7.48120419 6.00840556 0.00183817 0.00032949 0.00130781 -0.00340384 0.00687668 -0.00280077 -0.00159811 0.00050795 -0.00204858 +C 3.26519215 5.48913085 5.12784781 0.00157819 -0.00716902 -0.00901351 0.00317513 -0.04682324 -0.04376468 -0.00210586 -0.00410613 -0.00212341 +H 5.36054378 5.44678708 4.40132913 0.01328086 0.02034501 0.00418719 0.03705740 0.03789790 0.04085018 0.00104452 -0.01483537 -0.00252696 +C 7.42654325 6.88363964 5.82965022 0.00283330 -0.00539763 -0.00090905 0.02743289 -0.05571459 -0.01474982 0.00326874 -0.00722261 -0.00242309 +H 6.27877581 8.47420147 6.06006584 -0.00194924 0.01389773 -0.00904027 0.05690379 0.00093989 0.05817825 0.01677048 -0.01353667 0.02447743 +O 7.60720170 5.74075608 5.38369216 0.00417041 -0.00845252 -0.00292339 0.02194209 -0.05200382 -0.01378463 0.00234906 -0.00659390 -0.00106214 +C 8.63269120 7.64620950 6.18924136 -0.00597483 0.00868063 0.00098028 -0.00587845 0.05995161 0.02841732 0.00149788 0.00569930 0.00318461 +H 8.52335457 8.75532171 6.28645405 -0.02483978 -0.00004834 0.01962631 -0.17922649 -0.01297739 0.07649084 -0.02244133 0.01384796 0.00624082 +H 9.13435478 7.31884191 7.14455937 0.00235870 -0.01399102 0.00486732 -0.15636959 -0.05020459 -0.04418283 -0.02402097 -0.00681616 0.01381144 +H 9.44746622 7.40679599 5.51299254 -0.00714762 0.00190667 0.00781515 -0.05225026 0.11668715 -0.05579061 -0.00690421 0.03614926 -0.01607461 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02332426 5.79875157 5.93623888 0.00683658 -0.00012797 -0.00103372 0.03593429 -0.01426190 -0.01267403 0.00258693 -0.00310094 -0.00209298 +C 2.34344413 6.12496616 5.91119191 -0.00031576 -0.00071392 0.00120459 -0.01103194 -0.00491672 -0.00358635 -0.00107941 0.00026309 -0.00213273 +H 0.82668213 4.96164664 5.57820724 0.01237682 -0.01587071 -0.02200300 0.11103801 0.02255169 -0.07273708 0.01354146 0.00372504 -0.00741243 +C 2.64531769 7.48692773 6.10114920 0.00489301 0.00243770 -0.00182676 0.00827078 -0.00919848 -0.00840813 -0.00299785 -0.00465768 -0.00038991 +H 3.05889009 4.03038111 5.53632680 0.00203009 0.00272131 0.00920582 -0.00416899 0.07455713 0.01374482 -0.00576294 -0.00504574 -0.00646490 +C 3.93458032 7.88344378 6.16596757 0.00044797 -0.00314223 0.00077927 0.02924457 -0.02607896 0.01362040 0.00532072 -0.00121780 0.00319041 +H 1.88836605 8.22162792 6.31805593 0.01400429 -0.00641154 -0.00757365 -0.02127592 0.00284539 -0.04145475 -0.01040937 0.00062671 -0.00607820 +C 4.96485478 6.93770417 5.95025723 -0.00404670 0.00108181 -0.00105449 0.00378128 0.00563854 -0.00245666 0.00655418 0.00125987 0.00101128 +H 4.19931550 8.84098758 6.56031440 -0.02577234 -0.00965868 0.00310994 -0.13159750 0.07208842 -0.07426358 -0.00354428 0.00973896 -0.02672066 +C 4.67807266 5.52206346 5.73290911 -0.00213886 0.00406592 0.00414853 -0.02757712 0.05621580 0.01425412 -0.00408821 0.00994099 0.00028745 +N 6.25196138 7.49707153 6.05469352 0.00751136 -0.00023904 0.00819770 0.02642960 -0.03590403 0.05044376 -0.00134563 -0.00959974 0.00531098 +C 3.30585320 5.11079251 5.65786749 -0.00426017 0.00115753 -0.00129970 0.00112305 0.02604203 0.00994182 0.00424173 0.00769042 0.00405844 +H 5.47887416 4.83195486 5.50830649 0.01447058 0.02666058 0.01944689 0.03180195 0.08243503 0.17568321 -0.01394767 -0.00357641 0.02579733 +C 7.43970776 6.88573482 5.78246837 -0.00851337 -0.00049165 -0.00729348 -0.00600979 -0.00663690 -0.03165593 0.00758582 -0.00181283 -0.00107965 +H 6.30562889 8.35812257 6.59831322 -0.00468523 0.00382674 -0.00215174 0.02182580 0.03303108 -0.09006284 0.01201121 0.00641963 -0.01822152 +O 7.72550729 5.76571284 5.32237899 0.00028110 -0.00488184 -0.00118390 -0.02618399 -0.02297864 -0.01117236 -0.00756111 -0.00146293 -0.00208075 +C 8.67030959 7.62239649 6.27039579 -0.00309733 0.00443571 -0.00578690 -0.02229728 0.01445787 -0.00113754 -0.00376103 0.00283469 0.00109488 +H 8.86628786 7.38197367 7.32586157 -0.00989194 -0.00226907 0.04762322 -0.10729876 0.00767801 -0.07228558 -0.00951766 -0.00513256 -0.03335372 +H 9.54677028 7.33164937 5.73495962 -0.00201257 0.00020096 -0.01455459 -0.02087327 0.05168860 -0.09219278 -0.01600757 0.01932431 0.00230955 +H 8.56159449 8.67966521 6.25691706 -0.01493072 -0.02158798 0.02079013 -0.10958090 0.08152795 0.04344402 -0.00903318 0.00935124 -0.00938338 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98466640 5.71012962 5.68277276 0.00011396 0.00155559 -0.00216833 0.00347732 0.01639107 0.00363722 -0.00062453 0.00234314 0.00097051 +C 2.29940206 6.06141999 5.95580029 -0.00285281 -0.00691260 0.00277985 -0.01710141 -0.04570964 0.01042763 0.00071536 -0.00551069 0.00031401 +H 0.83935172 5.54807022 4.79618841 -0.00760350 0.00169749 0.00425895 -0.05217006 0.00051274 -0.01713850 0.00099773 0.00532433 0.02454359 +C 2.82412249 6.47111326 7.19747851 0.00589361 -0.00642223 0.00037273 0.00143867 -0.06739978 0.02230215 -0.00420460 -0.01229554 0.00333198 +H 2.84125362 5.67079676 3.83759192 -0.01181416 -0.00340885 0.00275579 -0.05164101 0.04168657 0.15114775 -0.01626798 0.00034888 -0.01944056 +C 4.21655625 6.62364018 7.44237145 -0.00119130 0.00392487 -0.00399743 -0.00345831 0.04875261 -0.02104118 -0.00239680 0.00914108 -0.00243381 +H 2.08364552 6.46407305 8.00663606 -0.02511678 -0.01162051 -0.01315595 -0.00159915 -0.00935169 -0.04867451 0.00985808 0.00771488 0.02000835 +C 5.08579709 6.66955281 6.33801720 -0.00466377 0.00182424 -0.00248620 -0.03963348 -0.00294832 -0.03088627 -0.00386436 -0.00182606 -0.00522548 +H 4.68028755 6.83729499 8.40444612 -0.00245235 0.03125352 0.00539453 -0.15556156 0.15169759 -0.02222601 -0.02652273 0.01452558 -0.00120513 +C 4.48767298 6.33126233 5.09086995 -0.00881687 -0.00351108 0.00044187 -0.00778721 -0.01044684 -0.01731807 0.00495110 0.00088962 -0.00195336 +N 6.44741053 6.92699209 6.49149270 -0.00371889 0.00319493 0.00151445 -0.00980179 0.02900990 -0.00595644 0.00040948 0.00511972 -0.00267372 +C 3.15250415 5.98221158 4.89655849 0.00320023 0.00377596 0.00382819 0.01210834 0.01625330 0.00142602 -0.00061385 0.00145201 0.00164749 +H 5.09990361 6.32008627 4.14685082 0.01474141 0.01921910 0.00562228 0.01055946 0.07215455 0.11920305 0.01200657 -0.00104895 -0.01556659 +C 7.44297989 7.12419806 5.58906361 0.00879836 -0.00042461 -0.00265698 0.01595365 0.00102668 0.00829446 -0.00395804 0.00130306 0.00553621 +H 6.77202797 7.08062242 7.43386987 0.00440516 0.01602119 -0.01808702 -0.01041158 0.08917325 0.00420783 -0.01285386 0.00605708 0.00780325 +O 7.31277559 7.10744694 4.37722888 0.00108480 0.00084550 0.00512313 0.00668668 0.00315629 0.02143750 0.00083487 0.00002641 0.00053097 +C 8.76240539 7.48209829 6.15152775 0.00611963 -0.00099073 -0.00103849 0.05431254 -0.01934375 0.00141442 0.00997743 -0.00678315 -0.00095816 +H 9.04997089 8.51664782 5.87415204 0.02210783 -0.02948570 0.00260804 0.15554081 -0.04451554 0.03828011 0.01759871 0.02005088 0.01126297 +H 8.93575668 7.28543242 7.19356478 -0.01429933 -0.01700546 0.01217526 -0.11202290 -0.07012153 0.02191373 -0.00584188 -0.00499977 -0.01407273 +H 9.43605299 6.81926313 5.69880823 -0.02461634 0.01492023 -0.03666994 0.00352578 0.00645003 -0.25950156 0.00477255 0.00568168 -0.00309600 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02528309 5.68931997 5.85471109 -0.00408323 0.00088836 -0.00407074 -0.02196117 0.00596376 -0.02428605 -0.00186435 0.00032429 -0.00545442 +C 2.34482305 5.98208331 5.90161531 -0.00086550 0.00051542 -0.00016730 0.00330385 0.01915384 0.02581866 0.00052215 0.00485223 0.00427054 +H 0.73425363 5.54250994 4.98172644 0.02788394 -0.00985712 0.01206643 0.08914328 -0.09666997 -0.07658752 0.00596124 -0.00801509 0.01044059 +C 2.97360287 6.08060592 7.17297985 0.00211302 0.00311870 0.00256000 -0.01340101 0.00053258 -0.00052365 -0.00784993 -0.00413734 0.00192684 +H 2.60756480 6.39118436 3.78446153 0.01060174 0.00083351 0.01060839 0.05792227 -0.01151809 0.00830561 -0.00382908 -0.00368902 -0.02962480 +C 4.31314877 6.36765203 7.38843450 -0.00692401 -0.00185947 0.00198461 -0.00134476 0.02207486 -0.01274888 0.00525193 0.00772592 -0.00678560 +H 2.34875708 5.87128465 7.98772536 0.01152804 -0.00769615 -0.05199810 -0.08890650 -0.12378061 0.03855859 -0.00241647 -0.01093556 0.02361139 +C 5.05916399 6.78465663 6.26215858 0.00700816 0.00531607 0.00218342 0.00754298 0.00544757 -0.00732993 -0.00338082 -0.00338405 -0.00132562 +H 4.83148771 6.42682505 8.36107926 0.02668663 0.01044605 -0.01864501 -0.01009690 -0.01254447 -0.04813367 -0.02051593 -0.01268822 0.02139350 +C 4.45484518 6.70366476 4.94571842 -0.00209427 -0.00596793 0.00781108 -0.01655868 -0.02384751 0.04840420 -0.00115055 -0.00001056 0.00339533 +N 6.34165517 7.18392735 6.43310994 0.00674365 -0.00480828 0.00003617 0.06216247 -0.02128206 0.03345275 0.00875547 -0.00146274 0.01005434 +C 3.07989792 6.35828273 4.80323644 -0.00012359 -0.00133785 -0.00308475 0.01625676 -0.01293717 -0.02179525 0.00413944 -0.00286148 0.00093928 +H 4.93870042 6.97831755 4.04184154 -0.00179689 0.00690345 -0.00892930 0.01526195 0.00780124 0.07477039 0.00313068 -0.00723640 0.03050983 +C 7.42290300 7.11342929 5.64640615 -0.00266414 0.00147380 0.00380408 -0.03114001 -0.00435367 -0.00375790 -0.00316406 -0.00232479 -0.00541229 +H 6.50334182 7.48994585 7.34953948 0.03601038 -0.01146286 0.00466477 0.23018263 -0.06854903 0.02730613 0.01751977 -0.01308200 -0.00753822 +O 7.30299054 6.64006314 4.52985368 -0.00281262 0.00249945 -0.00041974 -0.00715120 0.01814591 -0.00888717 0.00028757 0.00260359 -0.00226881 +C 8.74778478 7.60043159 6.16041864 -0.00492293 0.00039062 -0.00309424 -0.01577650 0.00537661 -0.01397246 -0.00379282 0.00305963 -0.00018052 +H 8.63010296 7.83273470 7.21940770 0.00324227 -0.00509503 -0.01595400 -0.00740295 0.11800878 -0.02957296 -0.00312718 0.03615454 0.00135541 +H 9.55039181 6.76374888 6.25882257 -0.00490077 0.00769980 0.02092480 -0.10361032 0.09457615 -0.02349950 0.01303231 -0.02364857 -0.01930891 +H 9.09660016 8.49989781 5.60774969 0.00745116 0.00161884 -0.02491888 0.02487439 -0.13066073 -0.07742488 0.00590746 -0.01779337 -0.01017204 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94328251 5.77142542 5.88795411 0.00300524 -0.00327720 0.00656924 0.03911592 -0.02068650 0.04811006 0.00727175 -0.00245125 0.00393613 +C 2.30949687 5.98835456 5.97520232 0.00307887 -0.00234172 -0.00918811 0.02978156 0.01070246 -0.05673280 0.00296422 0.00393638 -0.00422518 +H 0.65242793 5.73625910 5.01832263 0.01448829 0.00118078 0.01692274 0.01624331 0.01753313 0.01269263 0.00129170 0.00386046 0.02852147 +C 3.03664388 5.71252453 7.13548772 0.00477483 0.00755885 -0.00216820 -0.01500146 0.02112013 -0.01553193 -0.00622316 -0.00065467 -0.00414285 +H 2.53837722 6.95054093 4.02582960 -0.00593363 0.02793960 -0.02163908 0.02118593 0.16114742 0.04386793 -0.00744620 0.02103321 0.00504040 +C 4.41128721 5.86850142 7.19477390 -0.00163190 -0.00032035 -0.00680635 0.00117128 -0.00439988 0.00064322 0.00223875 0.00098405 0.00343292 +H 2.45528476 5.26218526 7.93779156 -0.02156661 -0.01088655 0.00584213 0.04143476 0.04685231 -0.03299952 0.01556316 0.01339331 0.00350422 +C 5.13388326 6.38956725 6.12072822 0.00257356 0.00329642 0.00499737 0.02611586 0.01830883 0.02156523 0.00032007 0.00127619 0.00004610 +H 4.75529271 5.56336444 8.20006774 0.02158363 0.01333549 0.01874739 0.19325356 0.13988737 -0.13923668 0.03356710 0.01119477 -0.01867299 +C 4.46250571 6.75483524 4.94565471 -0.00710274 -0.00735978 0.00304672 -0.04022907 -0.03151834 0.02623554 -0.00390670 -0.00193145 0.00462077 +N 6.52268124 6.56100828 6.31653570 -0.00141567 0.00096691 -0.00389816 -0.02665926 0.00990546 -0.02155007 -0.00441369 0.00097943 -0.00090487 +C 3.06226030 6.67791611 4.95512792 -0.00584157 0.00476061 -0.00127400 -0.06517568 0.01158975 -0.04535293 -0.00802560 -0.00094808 -0.00945523 +H 4.94916624 7.22157413 4.10403174 0.02920613 -0.01098815 0.00331751 0.05801540 -0.14825938 0.06223414 -0.01411640 -0.02241538 0.00384314 +C 7.36703592 7.34707060 5.65051175 0.00207871 -0.00455813 -0.00000405 0.00483632 -0.03796042 0.00404155 -0.00014883 -0.00427561 -0.00067370 +H 6.89141909 6.20887964 7.19437799 -0.01251170 -0.00361712 -0.01755558 -0.03734683 -0.06992036 -0.04475924 0.00138068 -0.01217948 0.00025122 +O 7.16121332 7.82972588 4.56638056 -0.00063678 0.00127100 -0.00105739 -0.00062710 0.01725826 -0.01247439 0.00077144 0.00297870 -0.00126046 +C 8.67974758 7.48416289 6.32353798 -0.00450225 -0.00115382 0.00986226 0.01991806 -0.00708951 0.04441309 0.00578060 -0.00086070 0.00412950 +H 9.23253903 6.55187161 6.01999830 0.00129847 -0.00903449 -0.01937847 -0.01849375 0.09872294 -0.01275030 0.01442802 0.00396561 0.00731750 +H 9.26904932 8.35576549 5.94605730 0.01413811 0.01060950 0.00289515 -0.05154439 -0.06390538 0.03911572 -0.00951227 0.00072698 -0.00114679 +H 8.73370561 7.56686431 7.41697031 0.01969232 0.00127268 -0.00418529 -0.00345011 -0.03594850 0.05256116 -0.01806873 -0.01208303 0.01613069 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97931453 5.82166155 5.90986878 0.00265842 -0.00190466 -0.00497416 0.02329092 -0.02299397 -0.03511485 0.00246705 -0.00290637 -0.00434853 +C 2.32088214 6.10674782 5.96908299 -0.00014069 -0.00308700 -0.00110277 -0.03267107 0.01425908 0.01286943 -0.00629463 0.00566993 0.00436892 +H 0.89059988 4.91207499 5.55756786 -0.00132229 -0.00612895 0.01512195 -0.07046366 -0.03041627 0.11210558 -0.01576774 -0.02576411 0.00845235 +C 2.64254482 7.36186588 6.49302348 -0.00061391 0.00717278 0.00852952 0.00743209 0.00590754 0.02215934 -0.00070192 -0.00152548 -0.00151609 +H 2.93668436 4.26869132 5.22174781 0.02483602 0.00661184 0.00906575 0.14315193 -0.08907693 -0.01303807 0.01144365 -0.00950109 -0.00469452 +C 3.98656993 7.69239609 6.39470895 -0.00200620 -0.00127126 -0.00178747 0.01295364 0.02755032 -0.00644072 0.00688034 0.00683312 -0.00023596 +H 1.89774320 8.01838708 6.81001618 0.01134320 -0.00136650 -0.02580389 -0.03924224 0.13088737 -0.03199214 0.01346705 0.00165329 0.00642454 +C 5.02298099 6.91245122 5.84254780 0.00410989 -0.00482747 -0.00346513 0.01221761 -0.02402255 -0.02192073 -0.00330466 0.00129172 -0.00106207 +H 4.16430311 8.70740573 6.70375829 0.00996922 -0.00477546 0.01078422 0.12983336 -0.03150381 0.08028733 0.02072024 -0.00099591 0.00933662 +C 4.63337652 5.60431453 5.38757603 -0.00485920 0.00610131 -0.00521390 -0.01758265 0.03498379 -0.01866993 -0.00240588 0.00337816 -0.00017668 +N 6.34049171 7.47916930 5.82221433 -0.00163114 -0.00329887 0.00202669 -0.04223787 -0.00104002 0.02683023 -0.00780448 0.00261166 0.00482703 +C 3.28250297 5.23965719 5.49418169 -0.00418166 -0.00036815 0.00767394 -0.01087809 -0.01653371 0.04066252 0.00153026 -0.00480971 0.00335110 +H 5.38175352 4.83559763 5.11960447 -0.00315712 -0.00759655 -0.00500224 -0.09514269 0.07778154 -0.10479616 -0.00228668 0.01102381 -0.02970497 +C 7.51710720 6.88706076 5.81190331 -0.00674906 0.00442061 0.00018427 -0.02731449 0.04457296 0.01454329 0.00039140 0.00208065 0.00246197 +H 6.30134310 8.43837534 6.09765177 0.01757493 0.01907848 -0.00669916 0.13333902 -0.00011505 -0.08866883 0.00584365 -0.00826743 -0.01321855 +O 7.56549205 5.75489389 5.53635827 0.00220494 -0.00331648 -0.00129947 0.03283392 -0.04465074 -0.01290908 0.00643649 -0.00591046 -0.00157857 +C 8.74191196 7.74503997 6.27375398 0.00465494 0.00328556 0.00079156 0.01745698 -0.00200485 -0.01867498 -0.00128260 -0.00333001 -0.00741236 +H 8.61627948 8.23720401 7.30548142 -0.00133322 -0.01499342 -0.01446052 -0.03304976 -0.05599683 -0.08540974 -0.01363475 0.01491069 0.01966778 +H 9.65234077 7.10213290 6.25696761 0.00146526 0.00063730 0.02273678 -0.03424418 0.01167446 0.17937719 0.00266434 -0.00710271 0.02098148 +H 8.94773621 8.46405710 5.48042242 0.00270355 0.00109093 -0.00117757 0.01932562 0.06546875 0.04927178 0.00649746 0.01344101 0.01238994 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02513773 5.67966417 5.88846395 -0.00265893 -0.00774721 0.00268631 -0.02749655 -0.03666864 0.02374572 -0.00659644 -0.00463789 0.00367853 +C 2.31711578 6.13516325 5.89579063 -0.00733860 -0.00371078 0.00013666 -0.08085042 -0.00674513 0.01463569 -0.00903276 0.00310092 0.00354289 +H 0.85942967 4.77235835 5.64523876 0.00021392 0.01621805 0.00189695 0.03654173 -0.05511221 -0.03868738 0.01223764 -0.00533693 -0.00449551 +C 2.58415116 7.43325836 6.24772988 0.01084581 0.00365994 -0.00336501 0.06907371 0.02999686 -0.01774019 0.00563373 0.00061490 -0.00223142 +H 3.03010881 4.25224474 5.42174359 0.01846962 0.00189968 -0.00880376 0.10517933 -0.01732446 -0.05299660 0.01003067 0.00409719 -0.00365414 +C 3.94495936 7.79663172 6.31270500 0.00789348 -0.00126144 -0.00585858 0.05224475 0.00962952 -0.04517717 0.00537118 0.00774497 -0.00568166 +H 1.86900973 8.21540344 6.50968307 -0.00728392 0.00057070 0.01189806 -0.00447258 -0.11863950 0.02764397 0.00309064 -0.01259766 -0.00065296 +C 5.02943015 6.97452684 5.90825750 0.00268080 0.00157403 0.00385069 -0.01948573 -0.01273293 0.02923946 -0.00386619 -0.00431429 0.00395641 +H 4.17228274 8.78795941 6.63892168 -0.01999798 -0.02215612 -0.02436957 -0.04123991 0.08972006 -0.07437754 0.01154038 0.02065848 -0.00406281 +C 4.62724971 5.66056201 5.53268320 -0.00141630 0.00261981 0.00113855 0.00569493 0.02449371 0.01762757 0.00187662 0.00455366 0.00422238 +N 6.30104161 7.42763134 6.09085578 -0.00288112 -0.00045341 0.00178776 0.01644769 0.01514624 0.01615705 0.00323581 0.00354157 0.00286392 +C 3.28872992 5.25211096 5.65587435 -0.00309203 0.00894631 -0.00133104 0.01213100 0.02038355 -0.03901623 0.00403475 -0.00347655 -0.00943629 +H 5.36117845 4.88995868 5.20940855 0.00013746 0.01710849 0.01507241 0.02629052 0.06908494 0.10141455 0.01791103 -0.01173466 0.00660798 +C 7.51904151 6.86878144 5.85728557 -0.00523792 -0.00278545 0.00074326 -0.04283187 -0.00119158 0.00894581 -0.00292413 0.00153124 0.00092366 +H 6.47003262 8.38280182 6.40992682 -0.01104698 -0.00273339 0.01528631 -0.16338164 -0.03282691 0.12782780 -0.02102927 0.00425701 0.02277374 +O 7.54310418 5.79751949 5.31651376 0.00182392 0.00109584 -0.00155256 0.02741004 -0.00925222 -0.01714199 0.00520509 -0.00300737 -0.00297504 +C 8.81271367 7.64049611 6.24887883 0.00198144 0.00103392 0.00123458 0.00248278 -0.02528121 -0.01178636 -0.00323493 -0.00308041 -0.00604503 +H 9.12457186 8.21295836 5.44755718 -0.00244822 0.01594057 0.01977225 -0.03834252 0.20811013 0.02053965 -0.01699758 0.00315993 0.01931755 +H 8.66321397 8.27012303 7.12965570 -0.01484410 -0.01272298 -0.02324341 -0.05347329 -0.03972137 0.02437256 0.00298175 -0.00971337 0.02108935 +H 9.68525917 6.97006611 6.31799631 0.01482115 -0.02232008 -0.00922704 -0.07592558 -0.04428567 0.05053943 -0.01712632 -0.00018766 0.02019653 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04425754 5.62015811 5.77390195 0.00000501 0.00050380 0.00118124 -0.00311288 -0.00716131 0.00058110 -0.00071107 0.00038845 -0.00097946 +C 2.29650802 6.11034322 5.76191061 -0.00103107 -0.00252841 -0.00264610 0.02465212 -0.02751920 -0.01017574 0.00471788 -0.00366716 -0.00183976 +H 1.14555655 4.66221249 5.78569318 -0.00589450 -0.02011972 0.00504037 -0.14357363 0.03124618 0.05615819 -0.02887776 -0.01454442 0.01271385 +C 2.69092887 7.34425693 5.23639308 -0.00378570 -0.00379929 -0.00795125 -0.04227253 -0.00899385 -0.04824680 -0.00483658 0.00119461 -0.00434827 +H 3.15124587 4.33640314 6.69186478 0.00030173 0.00237738 -0.00282669 -0.06899118 -0.00295965 0.06243494 -0.01364246 0.01820251 0.00969499 +C 4.00819648 7.81963588 5.34285021 0.00039058 -0.00227140 0.00213729 -0.01791068 0.01375506 -0.00190580 -0.00516192 0.00696167 -0.00296678 +H 1.89142883 7.94248173 4.82375565 -0.00714459 0.02786541 0.00424109 0.05395855 0.10935332 0.01592217 0.00901229 0.00028674 -0.00618285 +C 5.01744118 7.07199574 5.90467269 0.00045700 0.01229383 0.01026049 0.00062473 0.03546814 0.09933467 -0.00130400 -0.00143981 0.01579659 +H 4.19128051 8.79327218 5.05330362 -0.00643409 0.01186956 -0.01168202 -0.01029291 0.03036156 -0.11266715 -0.00041739 -0.02699472 -0.00834020 +C 4.64453944 5.81397798 6.49954815 0.00454808 -0.00147059 0.00065639 0.01700703 0.00806566 -0.00374568 -0.00195258 0.00309534 -0.00131505 +N 6.31483910 7.56307267 6.01146312 -0.00088149 0.00211035 -0.00117336 0.01191746 -0.00048725 -0.00640647 0.00287850 0.00032192 -0.00021735 +C 3.32718636 5.32056855 6.35973030 -0.00520938 0.00087521 -0.00194594 -0.01638814 0.00939714 -0.01404055 0.00284734 -0.00071563 -0.00022172 +H 5.37084138 5.24347857 7.08305861 -0.00264610 -0.00274594 0.01376356 -0.03855585 -0.03166690 -0.00684263 0.00061835 -0.00825965 -0.01241606 +C 7.44908065 6.80241159 6.07093692 0.00095950 0.00858205 0.00227588 -0.00435205 0.03659273 -0.00107941 -0.00021173 -0.00366812 -0.00275378 +H 6.57824791 8.49764475 5.78354909 0.00884511 -0.00425834 0.01439812 -0.09301771 0.06903487 0.09933481 -0.03246659 0.00473114 0.01482046 +O 7.51960712 5.56886677 6.08239475 0.00630817 -0.00651422 -0.00076489 0.04179464 -0.01693476 -0.00064655 0.00491009 0.00380916 0.00069013 +C 8.67286780 7.68643367 5.88337135 0.00041697 -0.00640273 -0.00237047 0.01226451 -0.06321831 -0.03625303 0.00006053 -0.00568351 -0.00177170 +H 9.13438348 7.77287468 6.84700970 -0.01061278 0.00070114 -0.02104480 0.05289151 0.04514656 -0.01052652 0.01574242 0.00018470 -0.00493236 +H 9.37090492 7.08221068 5.18169488 0.00908533 -0.01180226 -0.02598496 -0.06017323 0.10799230 -0.01153830 0.01222632 0.01162151 -0.02141467 +H 8.47164715 8.63600482 5.39015912 -0.03468064 -0.00071375 0.02883122 -0.15753380 -0.01155299 0.18977492 0.00075864 -0.00958520 0.01676349 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96084231 5.71365955 5.79656399 -0.00114057 0.00154999 0.00040344 0.02131370 -0.00275306 -0.00551798 0.00572823 -0.00092233 -0.00136991 +C 2.30222865 6.10643496 5.87535500 -0.00101930 0.00129555 -0.00086662 -0.03062262 0.02785718 -0.00394108 -0.00294795 0.00374637 -0.00075031 +H 1.01762444 4.85416465 5.43837889 0.02084749 -0.01745031 -0.00873194 -0.01479805 0.01056354 0.01755291 -0.02115650 -0.00186440 0.00456638 +C 2.58259612 7.46541452 6.08116820 -0.00909141 0.00683854 -0.00223905 -0.01839771 0.02143894 -0.00131480 0.00311491 -0.00134455 0.00251152 +H 3.23157987 4.23548178 5.64185457 0.01457801 -0.02222455 -0.00631381 0.00311252 -0.12113430 -0.04225868 -0.00425231 0.03126368 0.00144045 +C 3.93994109 7.82224347 6.28976910 -0.00058153 -0.00225595 0.00731704 -0.01634649 0.00075308 0.03293932 -0.00490101 0.00630972 0.00202789 +H 1.80360645 8.26741036 6.15508924 0.01860431 -0.02940309 0.01153627 -0.08498956 -0.05790187 0.09093877 -0.03688174 0.01665629 0.01079563 +C 5.02609944 6.93099730 6.08507913 -0.00319403 -0.00029548 -0.00087694 -0.02849850 0.01045864 0.00447993 -0.00141354 0.00457776 0.00235160 +H 4.20472469 8.79042332 6.51718447 -0.01501223 0.01205555 -0.00866309 -0.12015149 0.10955212 -0.02993673 -0.01823432 -0.01964986 -0.00268205 +C 4.73200345 5.56649512 5.86221592 0.01045387 0.00373584 0.00170387 0.03435615 0.02950491 0.00619413 -0.00259342 0.00268200 -0.00002904 +N 6.27564890 7.45833995 6.21050461 0.00121249 0.00056801 -0.00413696 0.03741974 -0.00409522 -0.03143173 0.00581533 -0.00209346 -0.00456324 +C 3.36746189 5.22353283 5.78598683 0.00320796 -0.00099801 -0.00196431 0.03597577 -0.03753062 -0.01848973 0.00410238 -0.00992264 -0.00345013 +H 5.49785704 4.79581002 5.71158005 -0.01053309 -0.00124082 0.00498670 0.01297221 0.00830548 0.05498492 0.01921310 0.00516592 0.00852029 +C 7.45913242 6.91460750 5.79951180 -0.00653865 -0.00162172 -0.00147976 -0.02668940 -0.02954374 -0.03284059 0.00189374 -0.00403549 -0.00496208 +H 6.42587826 8.40118492 6.58076593 0.02674252 -0.01437114 -0.00364313 0.05402759 -0.05267151 0.05463084 -0.00869690 0.00374985 0.01890588 +O 7.55144062 5.94432480 4.98734110 0.00176253 -0.00054437 0.00335917 0.00270785 0.00621685 0.03599604 -0.00111567 0.00034408 0.00522298 +C 8.78799722 7.49424279 6.25889033 -0.00252602 -0.00064447 0.00419274 -0.01171096 -0.00060092 0.00974749 -0.00385835 0.00091203 -0.00033750 +H 9.40280151 6.63341031 6.65237250 0.01323127 0.00259813 -0.02250577 0.07510524 0.08027252 -0.16119764 0.01812302 -0.00177238 -0.01156737 +H 9.34543766 8.09165697 5.50894483 0.00185375 -0.01055829 -0.03379917 -0.12076209 -0.21159280 -0.11467590 -0.02383157 -0.02461228 -0.00875918 +H 8.67894395 8.21683209 7.03779682 0.01365309 -0.01540050 -0.00405589 0.03221391 -0.02962934 0.12141366 0.00037936 -0.00552407 0.01246811 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96079388 5.66948129 5.96496090 -0.00720461 -0.00639709 0.00281921 -0.04304502 -0.04254858 0.00364600 -0.00395297 -0.00542683 -0.00182311 +C 2.32276314 5.87879387 5.94150252 -0.00368579 0.00238610 -0.00537323 -0.03533905 0.02567488 -0.04459278 -0.00426374 0.00377212 -0.00420473 +H 0.47674563 5.89407321 5.20534956 -0.01527942 -0.00131456 -0.01485804 -0.00589551 -0.02809193 0.00475203 0.00259276 -0.00364800 0.00411779 +C 3.05576827 5.50793521 7.03991959 -0.00680501 0.00004014 0.00453398 -0.05081903 0.00494157 0.03249338 -0.00614754 0.00225966 0.00421284 +H 2.48121670 7.01898125 4.00006760 0.02219611 -0.00819761 0.02036491 -0.01138820 -0.06230208 -0.00032245 -0.01270104 -0.00616979 -0.01710835 +C 4.36982461 5.91111967 7.15833718 -0.00117951 0.00362633 0.00515941 0.01236394 0.00614602 0.02488019 0.00317433 -0.00343254 0.00265484 +H 2.56336437 4.93163794 7.78001573 -0.00285547 -0.00586893 0.01698477 0.00498080 0.01380542 0.10886434 0.00436605 0.01604164 0.00106347 +C 5.11799785 6.58435691 6.14135594 0.00306558 -0.00823454 -0.00466048 -0.03013005 -0.05136085 -0.01801088 -0.00801100 -0.00497182 0.00051244 +H 4.80789707 5.50594502 8.04383864 0.00771134 -0.00271301 -0.01853218 0.16638576 0.02808486 -0.00739125 0.02302486 0.01606821 0.00384827 +C 4.32361163 7.00388707 5.02163922 -0.00179640 0.00630450 0.00276793 0.02448384 0.02612078 0.02540913 0.00815384 0.00161255 0.00302051 +N 6.46497217 6.75140788 6.36286181 -0.00048120 0.00591106 -0.00073358 -0.00519884 0.03049495 -0.01217678 -0.00109945 0.00259650 -0.00356616 +C 2.95054538 6.60121630 4.89566181 0.01384620 0.00219805 -0.00378788 0.09004752 0.02213832 -0.00810626 0.00657423 0.00267427 0.00137144 +H 4.91040913 7.53398520 4.27660282 -0.00644085 0.00327464 0.00073883 -0.15656492 0.06946995 -0.05560779 -0.02370597 0.01600343 -0.01006444 +C 7.42862712 7.34770216 5.64033261 0.00381488 -0.00482417 -0.00084757 0.01918813 -0.02205860 -0.01345128 0.00130320 -0.00042701 -0.00345633 +H 6.72505381 6.20720434 7.19797055 0.01258939 0.00033054 -0.01242247 0.15300530 0.07460845 -0.08153429 0.02511964 0.01007459 0.00471897 +O 7.28216335 7.98505976 4.59445525 -0.00497080 0.00216483 -0.00038171 -0.03241635 0.00845918 0.00466952 -0.00389292 -0.00000680 0.00186614 +C 8.78748124 7.17487317 6.26470764 0.00537870 0.00054128 -0.00046118 0.05487838 -0.01218840 -0.00571010 0.00709886 -0.00217133 -0.00054236 +H 9.46630615 8.05765048 6.15853648 0.01136088 -0.01223374 0.02841225 0.03096736 -0.03616042 0.11835562 0.00815716 0.01552496 -0.00084038 +H 8.58161377 7.04452132 7.34932086 -0.00347602 0.00737412 -0.01810218 0.06776586 0.01621439 -0.02055377 0.01778506 -0.00680067 0.01922957 +H 9.33748797 6.26843316 5.89545581 0.02353075 -0.01989638 0.00072301 0.01176322 0.04867261 0.05512393 0.00124724 0.00121940 0.00138390 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97811323 5.78039017 5.81001282 0.00021494 0.00212228 -0.00330492 0.01613318 0.01633439 -0.01771181 0.00466530 0.00219948 -0.00186562 +C 2.33493908 6.11620579 5.88226001 0.00408342 0.00370669 0.01234600 -0.00824515 -0.00986489 0.05834541 -0.00437313 -0.00626266 0.00363731 +H 0.34603232 6.26387980 6.29327777 -0.00018331 0.02804144 0.01109559 0.13959368 0.11452987 -0.01685897 0.02341037 0.01234703 -0.00789103 +C 2.59238346 7.33908174 6.47089719 0.00031398 -0.00145911 0.00253361 0.03152883 0.01590287 0.02443095 0.00710085 0.00374472 0.00332423 +H 3.07930560 4.34396141 4.93083201 -0.00920328 -0.01917823 0.01009003 -0.00874898 -0.05801781 0.04541936 0.00738604 0.01767258 0.00584420 +C 3.95531261 7.74677829 6.53234190 -0.00133425 0.00121076 -0.00145895 -0.00738111 -0.01155644 -0.01673911 -0.00057175 -0.00583617 -0.00388866 +H 1.81988662 7.99701726 6.85944216 -0.00109680 0.01827918 -0.00930787 0.03335523 0.02924226 -0.06279778 0.00468627 -0.00198837 -0.00305801 +C 4.98019344 6.91052589 5.95409072 0.00086145 -0.00889197 0.00465983 0.01107969 -0.02043101 0.05063307 0.00279720 -0.00030479 0.00689675 +H 4.23393415 8.70404855 7.06797793 -0.02915952 0.00449718 -0.00553554 -0.17229695 -0.00059657 -0.12873413 -0.00384800 0.02398394 -0.01523098 +C 4.69857905 5.67371077 5.42946292 -0.00062190 -0.00741271 -0.00708789 0.00815787 -0.07020008 -0.05685599 0.00022881 -0.00599840 -0.00538498 +N 6.25702802 7.45346938 6.01526386 0.00094475 0.00020310 -0.00751860 0.02917095 -0.01370474 -0.05050131 0.00461319 -0.00416650 -0.00663881 +C 3.36008856 5.27253454 5.33634850 0.00328015 -0.00200728 -0.00189597 -0.01421719 -0.00968073 0.00786676 -0.00757200 -0.00261908 0.00390121 +H 5.48212018 4.96754083 5.07870616 0.02835397 -0.01904700 -0.01340580 -0.02907354 0.03671596 -0.06494668 -0.00570080 -0.00266306 -0.02111091 +C 7.50810454 6.84486263 5.86101759 0.00251519 0.00626928 -0.00215374 -0.02910472 0.03793672 -0.02071237 -0.00746040 0.00243241 -0.00387367 +H 6.24844057 8.46909762 6.27834331 0.00167611 -0.00843971 -0.01670336 0.06703371 -0.03938295 -0.12649795 0.01503872 0.02288507 -0.01252105 +O 7.69548903 5.64829088 5.63944646 -0.00979398 0.00108950 -0.00127072 -0.06699833 0.01621923 -0.00695653 -0.00908579 0.00414914 -0.00062818 +C 8.69089643 7.73863482 5.97237839 0.00063943 0.00247809 0.00637111 0.02587476 0.02789685 0.05077255 0.00871348 0.00399645 0.00932638 +H 9.42862161 7.50269975 5.26802785 0.01050158 -0.00162125 0.00622397 0.06167046 -0.03475121 0.01245652 -0.01196388 0.00113346 0.01859952 +H 8.48545067 8.80151977 5.86601885 0.02384078 0.01102638 0.01739650 0.08946867 0.04551292 0.11605070 0.00004575 0.00079501 0.01096226 +H 9.11163030 7.53197107 6.89536391 -0.00184778 0.00540240 0.01860289 0.01014905 0.05708296 0.15454867 -0.00944964 0.01222126 -0.00984827 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94526459 5.75882347 5.83339386 0.00486724 -0.00241624 -0.00391866 0.04641136 -0.01793598 -0.02196964 0.00428099 -0.00192985 -0.00172035 +C 2.32052944 6.07282909 5.97482127 -0.00673128 -0.00208058 0.00182635 -0.08100849 0.03026707 0.01901709 -0.00726378 0.00928602 0.00244585 +H 0.88106544 4.92237849 5.32880496 -0.02902048 0.01055480 -0.00042950 -0.21093101 0.04888003 -0.00962473 -0.01883517 -0.00784107 -0.00944833 +C 2.61272561 7.37509021 6.43224196 -0.00210064 0.00513247 0.00651119 0.00562360 0.01383825 0.03844812 0.00323096 -0.00376742 0.00351671 +H 3.04281374 4.29534895 5.15250594 0.00599296 0.01259769 0.01475141 0.02908136 -0.04178166 0.03696529 0.00878192 0.00261547 0.00219752 +C 3.98502528 7.77558986 6.42595606 -0.00398213 0.00240825 0.00036463 -0.01317986 -0.00828759 -0.00506150 0.00096932 -0.00485070 -0.00208061 +H 1.80276244 8.08096789 6.79367032 0.01676284 -0.00806603 0.01453843 0.07555300 -0.03355541 0.10385649 -0.01462484 0.01778284 0.02210406 +C 5.01736014 6.93955627 5.92166980 0.00753738 -0.01142670 -0.00440401 0.03463689 -0.01712472 -0.00340039 0.00000444 0.00781843 0.00408416 +H 4.33708846 8.72950767 6.86608470 -0.03112628 -0.01497502 -0.00746587 -0.22883486 0.05699315 -0.03206358 -0.02000246 0.02790580 -0.00147465 +C 4.65641874 5.68771968 5.47677354 0.00881791 0.00344147 -0.00082952 0.03809830 -0.01934165 -0.01856496 0.00195721 -0.00714778 -0.00389700 +N 6.33675584 7.43400892 5.97098125 0.00139141 0.00346731 -0.00033494 -0.00316511 0.02332664 0.00529138 -0.00122492 0.00249851 0.00147345 +C 3.29640596 5.24722446 5.52808978 -0.00128282 0.00630761 0.00096926 0.03085485 0.03328959 -0.00523798 0.00607849 0.00157032 -0.00223781 +H 5.40915787 5.01247083 5.09379921 0.02216471 0.01101580 -0.00549120 0.04694207 0.03327830 -0.03890252 -0.00562683 -0.01090779 -0.00838155 +C 7.53727672 6.88945755 5.81377526 0.00099075 -0.00604939 -0.00578358 -0.02879958 -0.04215182 -0.03081664 -0.00853022 -0.00115966 -0.00109116 +H 6.32683605 8.35196181 6.37750338 -0.00101777 -0.00681892 0.00735657 0.06947671 0.03044100 0.02381408 0.01618158 0.00684037 -0.00456088 +O 7.60129898 5.71698300 5.43061351 -0.00227289 0.00123470 0.00428196 0.00560903 -0.00095814 0.02558812 0.00380997 -0.00345780 0.00237242 +C 8.72147244 7.71720748 6.18848291 -0.00530815 0.00112360 0.00105354 -0.03634355 0.02001489 -0.01196532 -0.00327360 -0.00067254 -0.00351194 +H 8.40877864 8.58810895 6.81335124 -0.01010087 0.00440163 -0.00221104 0.00474652 -0.03260570 0.00370830 0.00527300 0.00626821 0.00909239 +H 9.54968347 7.18002469 6.58540277 -0.00890673 0.00999097 -0.01719389 0.00131170 -0.02160403 0.01036128 -0.01357328 -0.00199159 0.01241710 +H 9.05520821 8.20206742 5.23149254 -0.00072693 -0.03450562 -0.00148605 0.02815228 -0.18946297 -0.01958015 0.01237764 -0.00270721 -0.01974255 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03135909 5.77002935 5.76934727 0.00052536 -0.00006641 0.00746701 -0.00429232 -0.02296959 0.05012480 -0.00079484 -0.00309590 0.00758993 +C 2.31865171 6.07496101 5.91573068 0.00170503 0.00197145 -0.00375857 0.01864196 0.05658409 -0.02317779 0.00341232 0.00888852 -0.00438304 +H 0.96521674 4.83190064 5.59667280 0.00537643 -0.01935003 -0.00823698 -0.01801638 0.03756017 -0.03185184 -0.01163046 -0.01109049 -0.00997170 +C 2.63208047 7.43219818 6.25332296 -0.00008883 0.00291742 -0.00733505 0.01119263 0.00069185 -0.05306203 0.00133542 -0.00198524 -0.00672786 +H 3.22124198 4.18524017 5.33069510 -0.03151943 -0.01137705 0.00557094 -0.21581740 -0.00611066 0.07710499 -0.01615200 0.00768912 0.01089045 +C 4.01796239 7.82625498 6.28670162 -0.00613957 -0.00492777 -0.00179488 -0.06270551 -0.01759353 0.00068392 -0.00759904 0.00129746 0.00187954 +H 1.84779361 8.17444314 6.44535585 -0.00015004 -0.00695824 0.01421065 0.01473638 -0.07409602 0.07679570 -0.00160403 -0.00561534 0.00533762 +C 5.06135074 6.94290520 6.00712746 0.00468614 0.00497152 -0.00027613 -0.00588354 0.01941673 -0.00612087 -0.00552681 0.00078727 -0.00072479 +H 4.17304064 8.82798227 6.60934599 -0.01847626 -0.00511248 0.01525616 -0.04657879 -0.01588277 0.03792973 0.00121298 -0.00747252 -0.00650025 +C 4.68230497 5.60330004 5.68116438 0.00177891 -0.00604675 0.00471725 0.02890162 -0.02034640 0.03824995 0.00547201 0.00067712 0.00479649 +N 6.30597839 7.49310895 6.07247067 0.00682154 0.00785808 0.00299888 0.04056760 0.04698140 0.02975288 0.00386846 0.00213951 0.00333899 +C 3.34708118 5.20194898 5.65229948 0.00281821 -0.00072872 -0.00526894 0.01453086 -0.02838286 -0.04381587 -0.00070772 -0.00458799 -0.00553788 +H 5.41293506 4.79797909 5.53050292 -0.00663752 0.00705451 -0.00828200 0.02064778 0.02395957 -0.09302405 0.01554767 -0.00591230 -0.01213992 +C 7.43242668 6.88670443 5.80778602 0.00416699 -0.00442053 -0.00857637 0.03060573 -0.00496251 -0.04132725 0.00216203 0.00420490 -0.00182939 +H 6.36464236 8.39391284 6.57354869 0.00566738 0.01763456 0.00838939 0.06713952 0.04630323 -0.07370993 0.01445018 0.02207828 -0.01322602 +O 7.53305247 5.74056048 5.44077889 -0.00738481 0.00272913 0.00052844 -0.04206889 -0.00444386 -0.00900987 -0.00412866 -0.00439088 -0.00339926 +C 8.67359062 7.68088318 6.08683779 -0.00231836 -0.00277242 -0.00043797 -0.00841095 -0.03991364 0.02858721 0.00020887 -0.00358502 0.00410173 +H 8.91397510 7.44163675 7.15034545 -0.00089803 -0.00047912 0.05161665 -0.01293499 0.09946231 -0.05355193 0.00557340 0.01289365 -0.02207082 +H 9.40954254 7.32471857 5.39157486 0.00566498 -0.00965806 0.00112326 0.08242125 0.01601659 0.06233807 0.00710992 0.01799316 0.02340521 +H 8.41438574 8.67540124 5.89587778 -0.02369057 -0.01554360 0.02262711 -0.03968272 0.06621456 0.12331154 0.02469255 -0.00934731 0.01175474 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00539130 5.73302056 6.02352657 -0.00228297 0.00112383 -0.00567814 -0.01882177 0.00956276 -0.03965294 -0.00431069 0.00221875 -0.00440222 +C 2.33169578 6.13309286 5.93139639 -0.01091234 -0.00525954 0.00522882 -0.05914216 -0.03123692 0.04124066 -0.00220516 -0.00293179 0.00494268 +H 0.69179912 5.05260441 5.39033393 -0.01536932 0.00787179 0.00428053 -0.04384356 0.02955516 -0.01609304 -0.00178920 -0.01432994 -0.02342725 +C 2.73599761 7.13032440 6.87749491 -0.00407613 0.00274310 0.00229831 -0.01985363 -0.01796591 -0.00662281 -0.00343514 -0.00597717 -0.00102947 +H 2.88200322 4.84332078 4.26888692 -0.00264147 -0.00387928 -0.01025676 0.05513710 -0.00364671 0.03379506 0.01416672 0.00443020 0.01932884 +C 4.09645254 7.40730569 6.91216812 -0.00693445 -0.00236006 0.00837103 -0.02176646 -0.00760262 0.05110384 0.00210153 -0.00146663 0.00274771 +H 2.09863306 7.54125778 7.63852685 0.03045770 0.00351241 -0.01170921 -0.01197140 0.08403009 0.01276876 -0.02084854 0.00574425 -0.00413817 +C 5.00506821 6.90284777 6.01578614 -0.00184000 0.00334997 -0.00582228 -0.02265544 -0.00210982 -0.05560123 -0.00423657 -0.00212730 -0.00589717 +H 4.54334192 8.04411119 7.67226425 0.02917493 -0.01433639 -0.01447780 0.00751161 -0.00783254 0.03291035 -0.02891369 0.01314774 0.02585932 +C 4.58851010 6.02123239 4.97499592 0.00381277 -0.00567699 -0.00210112 0.00709391 -0.04945631 -0.00862019 -0.00281365 -0.00593192 0.00187942 +N 6.28765864 7.28694827 6.18986386 -0.00244989 0.00152736 0.00495034 0.00366807 0.02575259 0.04104702 0.00460622 0.00516954 0.00485946 +C 3.25235389 5.51610374 5.01427461 0.00177335 0.00161266 0.00336215 -0.00877938 0.03490130 0.02346389 -0.00509327 0.00661849 0.00303812 +H 5.21631753 5.59284814 4.15969115 0.00585226 -0.00500178 -0.01300302 0.05817203 0.04558321 0.06935242 0.02237483 0.00106579 0.00874404 +C 7.44816463 6.86280501 5.78548980 0.01025926 0.00246546 -0.00459386 0.06526629 0.02496591 -0.03478315 0.00384037 0.00574494 -0.00279248 +H 6.41228964 7.99463819 6.87392595 -0.00870543 0.01351285 -0.00414060 -0.07928735 0.12812335 -0.03658470 -0.01131185 0.01166398 -0.01207980 +O 7.62601485 5.87233790 5.10166110 0.00356884 0.00278151 0.00348299 0.02835360 0.00643177 0.01486258 0.00483439 -0.00136995 0.00025225 +C 8.64072588 7.76240747 6.13534199 0.00275636 -0.00194607 -0.00371450 0.03710412 -0.02485616 -0.01063538 0.00873285 -0.00395214 -0.00286590 +H 8.23928832 8.78106360 6.30309151 0.00540118 -0.00526580 -0.00778340 0.12639504 -0.01686937 -0.00347430 0.02288562 0.00632247 0.01089190 +H 9.16353596 7.36067478 7.02173528 0.03213617 -0.02367086 -0.00015055 0.04370467 -0.03516244 -0.09290182 -0.00324022 0.00308269 -0.00778403 +H 9.44962239 7.76821071 5.43282811 -0.00117375 0.00447746 -0.01279411 -0.08720537 0.03864093 -0.17126902 -0.02859725 0.00300275 -0.01932581 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99531582 5.49938348 5.84700217 0.00184894 0.00636858 -0.00583663 0.00520765 0.04662047 -0.04419562 -0.00159342 0.00620458 -0.00646535 +C 2.31543182 5.93948534 5.88330265 -0.00258792 -0.00481635 0.00233644 -0.02081605 -0.04213879 0.02840531 -0.00060979 -0.00471467 0.00377399 +H 0.49589439 5.39496824 5.08208252 -0.01619650 0.00143576 -0.01093111 0.05791745 0.10496769 -0.08313250 0.03302444 0.02837018 -0.01174466 +C 3.04649246 5.39504801 6.90026704 0.00018764 0.00083476 -0.00137966 0.02039021 -0.00800502 0.01806867 0.00524804 -0.00251874 0.00529509 +H 2.26088519 7.18212157 4.28029753 0.00813603 -0.00938609 0.01525236 0.08939222 0.06507057 0.00085190 0.00625214 0.02694826 -0.02255541 +C 4.42308679 5.71178441 7.05032628 0.00558424 0.00084352 -0.00179966 0.02213800 0.00552334 -0.01219506 0.00044548 0.00103963 -0.00114041 +H 2.54140453 4.70589067 7.57432758 -0.02375360 -0.00360691 -0.00197315 -0.01633376 0.03197959 -0.02405595 0.01553955 0.00197914 0.00896539 +C 5.07823610 6.58445550 6.13823464 0.00345038 0.00229938 0.00057619 0.03388865 0.01132327 0.00346862 0.00517882 0.00009314 0.00130419 +H 4.97990811 5.21917333 7.84704707 -0.00854077 0.01534408 0.01170307 -0.03252502 0.09081559 0.05739670 0.00413747 0.00646389 0.00503470 +C 4.30864934 7.22929676 5.10582235 0.00241369 0.00302922 0.00187396 0.00615899 -0.01428726 0.03547215 -0.00046811 -0.00736163 0.00782937 +N 6.48439032 6.58722376 6.27471669 0.00441002 0.00057043 0.00406803 0.01758291 0.00473227 0.02988339 -0.00077446 -0.00088348 0.00546509 +C 2.94594380 6.84790223 5.07161615 0.00202466 -0.00632766 0.00607816 -0.00109594 -0.02356237 0.00134130 -0.00134871 -0.00111609 -0.00377965 +H 4.65984988 7.87328735 4.27378322 -0.00410192 -0.02149928 0.00211726 0.09293595 -0.07125132 0.05548660 0.02667734 0.00802759 0.00686523 +C 7.44474701 7.36727997 5.71150693 -0.00660797 -0.00538679 -0.00457732 -0.04482368 -0.04789242 -0.01769749 -0.00393098 -0.00525247 -0.00167547 +H 6.82875887 5.96177919 6.95081058 -0.01601828 -0.00644807 0.01713495 -0.04494762 -0.03109982 0.05493748 0.00410809 0.00877095 -0.01189071 +O 7.11875311 8.31762689 5.03413859 -0.00259307 0.00037915 -0.00033501 -0.01042502 0.00707680 -0.01085753 -0.00061292 0.00047168 -0.00223187 +C 8.92124609 7.00551879 6.03817363 -0.00108848 -0.00213529 -0.00286047 -0.03958140 0.01988961 -0.00871103 -0.00834291 0.00558059 -0.00108862 +H 9.42950127 7.96047623 6.13244936 -0.02916649 0.01135035 0.00732156 -0.12652423 0.06762637 -0.00875961 -0.00783818 0.00540546 -0.00254074 +H 9.02535881 6.62857516 7.03730844 0.00343746 -0.00528498 -0.00213419 0.02149855 -0.14594201 -0.05541621 0.00051076 -0.02463009 -0.02534077 +H 9.36912494 6.39662826 5.27226888 -0.00349657 0.04199573 -0.00001406 0.07995705 0.15122502 -0.11252869 0.00898394 0.01477693 -0.01002755 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.06841359 5.69346430 5.87517748 0.01152090 0.00070676 0.00057430 0.06578219 -0.00443745 0.00968759 0.00508527 -0.00304650 0.00214561 +C 2.35572894 6.11150501 5.94788506 -0.00056387 0.00334376 0.00386416 -0.01605500 0.01861456 0.00816752 -0.00028974 0.00246726 -0.00142776 +H 1.06627208 4.78024230 5.88871572 0.01620882 -0.00838914 0.00910904 0.04976695 -0.01377695 0.03999230 0.00003868 0.01596742 0.00210359 +C 2.60657699 7.46309473 6.11866017 -0.00289295 0.00160490 0.00209143 0.00483137 0.02717746 0.02127361 0.00151156 0.00453741 0.00353273 +H 3.21073793 4.15020924 5.53733537 0.01335123 -0.00118444 -0.00431681 -0.00739192 -0.01405210 -0.04457615 -0.01448191 0.00962144 -0.00423370 +C 3.97620961 7.90190677 6.16941088 -0.00201757 -0.00022305 -0.00437362 -0.04285015 0.00980814 -0.01916560 -0.00977222 0.00186398 -0.00129990 +H 1.80239294 8.15749355 6.30045189 -0.00553516 -0.00326199 0.00335148 -0.03049604 -0.00564308 0.02080654 0.00181455 0.00232818 0.00295798 +C 5.01496286 6.99671314 5.96118255 -0.00372153 -0.00012630 -0.00327022 -0.04185945 0.01539757 -0.02061817 -0.00736735 0.00373692 -0.00286352 +H 4.23822624 8.93704108 6.47418233 -0.02578714 0.00056979 0.01278465 -0.18701636 -0.02581211 0.00789007 -0.01438587 0.01502664 -0.00472027 +C 4.64664708 5.68710934 5.63972137 -0.00366012 0.00175464 -0.00793746 0.00933338 -0.01350668 -0.03324425 0.00496702 -0.00346970 -0.00085057 +N 6.30554570 7.43834627 6.20100306 -0.01178916 0.00460879 0.00277598 -0.04227599 0.01121163 0.00439847 0.00019716 -0.00312073 -0.00179876 +C 3.35155835 5.19903987 5.66338957 -0.00287281 0.00005923 0.00044315 -0.00676477 0.00481146 0.00304637 0.00092642 0.00036003 -0.00009686 +H 5.40075713 4.91915002 5.61953832 0.01837272 0.00643826 0.02603959 0.04105093 0.05175241 0.03425921 -0.00224020 -0.00274446 -0.01892775 +C 7.43774114 6.79149381 5.89810349 -0.00186470 -0.00960218 0.00200636 -0.01175369 -0.02717680 0.01458118 -0.00103479 0.00331441 0.00212974 +H 6.54675232 8.39858463 6.40687324 0.02184736 0.00796191 0.00998001 -0.09619623 -0.02749289 0.12256458 -0.04328535 -0.00463543 0.02555754 +O 7.54999641 5.75088684 5.26295446 0.00599307 -0.00260150 -0.00135084 0.03952869 -0.02576744 -0.00615156 0.00481944 -0.00441722 -0.00010112 +C 8.66251232 7.62222519 6.20189528 0.00283302 -0.00105847 0.00345247 0.03065828 0.00276005 -0.01514936 0.00485011 0.00094441 -0.00417247 +H 8.73633944 7.92886264 7.23684731 0.01354406 -0.00368795 -0.04007024 0.08237288 -0.00326995 0.05271765 0.00468236 -0.00622027 0.02515434 +H 9.59289894 7.19406637 5.87892620 0.01882087 -0.01727783 0.00554404 0.00216783 -0.12115520 0.07079172 -0.01933722 -0.00830298 0.00899280 +H 8.63024893 8.52310730 5.61883991 -0.00910359 0.03547360 -0.00430046 -0.05105636 0.03163362 0.06814641 0.00123153 -0.02310772 0.01581794 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02516743 5.70314691 5.90447743 0.00192120 -0.00176325 0.00091656 0.00351570 -0.01316397 -0.00079354 -0.00112961 -0.00450242 -0.00206314 +C 2.28006839 6.17013701 5.80037916 -0.00173476 -0.00886758 0.00073633 0.02674491 -0.05303432 0.01993649 0.00636175 -0.00396585 0.00596602 +H 1.01095409 4.85395932 5.57140388 -0.00832935 0.01053549 0.00184876 -0.11328705 -0.04047628 -0.02327236 -0.01750473 0.01964417 0.00745021 +C 2.62286982 7.30826068 6.51868272 0.00365837 -0.00261995 -0.00395457 0.03674939 -0.00878056 -0.03023964 0.00917212 -0.00267113 -0.00564877 +H 3.07323386 4.55801840 4.67212882 -0.00266201 0.01322583 -0.01536852 0.02288469 0.00403848 -0.13022600 0.00701549 0.00480767 -0.00509086 +C 3.98806702 7.67275271 6.60617693 0.00614701 0.00411226 0.00092423 0.00692026 0.03418283 0.00650003 -0.00078409 0.00394085 -0.00121267 +H 1.80433152 7.99190497 6.95441847 0.01998504 0.00289969 -0.00826982 0.14218442 -0.06422180 -0.01825868 -0.01841803 0.00846987 0.02079400 +C 4.99052872 6.93822726 6.01836284 0.00523538 0.00214417 -0.00385755 0.06470235 0.03228037 -0.01474573 0.00577293 0.00605951 0.00078280 +H 4.12108135 8.62418494 7.15945194 -0.00364542 -0.00968937 -0.01550461 0.10927846 0.03463426 -0.05971104 0.02705866 0.02610574 0.00561501 +C 4.71766983 5.75300139 5.36162407 -0.00341387 0.00078760 0.00265023 -0.04190799 0.01937420 0.00265531 -0.00681174 0.00383332 -0.00218661 +N 6.31346139 7.50321133 6.02422562 -0.00217372 0.00108476 0.00515699 -0.03326806 -0.00479944 0.04778018 -0.00108883 -0.00300440 0.00742339 +C 3.37005584 5.41173278 5.21358643 -0.00686034 0.00360291 -0.00333739 -0.06989383 0.01040832 -0.02256092 -0.00882925 -0.00306011 -0.00527581 +H 5.48941367 5.29200805 4.77299369 -0.00356537 0.01232193 0.02483955 -0.00660492 -0.11210358 0.11669621 -0.01307247 -0.03241300 0.01143617 +C 7.44869122 6.81685882 5.94961218 0.00414148 0.00504205 0.00409576 0.03726250 0.04768930 0.00353479 0.00135120 0.00330931 -0.00248909 +H 6.28475567 8.51067841 6.26578191 0.00532870 0.00329649 0.00486343 0.11966529 -0.03708867 -0.02297685 0.01585701 0.01071943 -0.00380275 +O 7.58439394 5.60743317 5.83377853 -0.00210466 -0.00169993 -0.00084732 -0.01259947 -0.00317490 0.00066814 -0.00100760 0.00264990 0.00116473 +C 8.69252252 7.75605160 5.74418285 -0.00297424 -0.00296095 -0.00130471 -0.04376108 -0.03717637 -0.00885105 -0.00506773 -0.00501066 0.00084753 +H 8.49475200 8.77749463 6.00689555 -0.01266239 -0.00347796 0.00721286 -0.05861445 -0.02151285 0.02468206 -0.00186902 -0.01304297 -0.00854198 +H 9.35844540 7.27811218 6.44205213 -0.00637338 0.01397053 -0.01259276 0.15916474 0.10562999 -0.06884949 0.02589009 0.01872665 -0.01687232 +H 8.93883022 7.67937326 4.67481385 -0.00499306 -0.01797012 -0.01155799 0.03141100 -0.07841094 0.04151730 0.01021073 -0.00088307 0.00993971 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.93855323 5.80569638 5.81287273 -0.00562772 0.00372366 0.00066922 -0.02983525 0.01330543 -0.00199399 -0.00433390 0.00201604 -0.00018348 +C 2.26082094 6.13859543 5.83518936 -0.00348441 -0.00330454 0.00484350 -0.00507254 -0.02207762 0.03035659 0.00190576 -0.00102861 0.00413978 +H 0.41400725 6.49049493 6.14863988 -0.00009545 -0.01352844 -0.01018890 -0.11165766 0.01717276 -0.02278135 -0.00129775 -0.01332658 -0.01169677 +C 2.61288321 7.40539124 6.22689168 0.01128178 0.00493804 -0.00232122 0.03903537 0.00914172 -0.01137782 -0.00258829 -0.00155088 -0.00032006 +H 3.05709557 4.25867582 5.20374117 -0.02736466 0.01472595 0.00012874 -0.17368454 -0.01745476 -0.01445635 -0.00368166 0.00915603 0.00486189 +C 3.95651576 7.73084581 6.35319067 -0.00412235 -0.00358372 -0.00677956 0.02982225 0.00129953 -0.04088224 0.01091479 0.00054510 -0.00491414 +H 1.78300530 7.99316505 6.47831072 0.00198896 -0.02203741 0.00737624 0.07097002 0.11512083 0.05701190 0.03635240 0.03341506 -0.00219370 +C 5.02462792 6.81748287 6.08190045 -0.00269558 -0.01033244 0.00924859 -0.01173958 -0.04377349 0.07627064 0.00199701 -0.00188173 0.01094979 +H 4.27611794 8.75503764 6.64853440 0.01327830 0.00949443 -0.00677562 -0.05103288 -0.06012239 -0.05716406 -0.01147130 0.01169244 0.00033707 +C 4.68910019 5.50328463 5.75060278 0.00281307 -0.00224353 -0.00788382 -0.00788695 -0.01966814 -0.06804517 -0.00447927 -0.00395986 -0.01088761 +N 6.31260828 7.28961889 6.34103191 0.00778195 0.00053015 0.00146146 0.02906003 0.00416729 0.00940873 -0.00148064 0.00165204 0.00301354 +C 3.29729022 5.21675698 5.53828446 -0.00212634 0.00140732 -0.00076899 -0.00993994 -0.00272509 -0.00169932 -0.00288600 -0.00518757 -0.00097004 +H 5.46959353 4.79003944 5.59477293 -0.00797529 -0.01139350 -0.02244845 -0.06693038 -0.08834238 -0.15983709 -0.01480904 -0.00110595 -0.01897834 +C 7.50554468 6.90720569 5.80728729 -0.00062019 0.00530031 0.00054853 0.00422616 0.03681280 0.00956130 0.00181125 0.00303228 0.00077592 +H 6.25849483 8.09307916 6.87756212 -0.01360891 -0.00036026 0.02392890 0.08297099 -0.02852340 0.11212563 0.03481668 -0.02434165 -0.00728048 +O 7.66004979 5.96450075 5.06801911 0.00509348 0.00294663 0.00665155 0.02763882 0.00878278 0.03797704 0.00262813 -0.00012685 0.00435932 +C 8.78270955 7.69769476 6.13485672 -0.00563707 -0.00282254 -0.00677163 -0.04222970 0.00538369 -0.03108509 -0.00334796 0.00465147 -0.00409674 +H 9.35916043 7.19579057 6.89983675 0.00023282 0.00253987 0.00524526 -0.00319459 0.01419775 -0.04775795 -0.00342330 0.00317974 -0.01974165 +H 9.33311360 7.81985945 5.24132871 -0.01254405 0.02578563 -0.00491224 -0.00991915 0.09408193 -0.06808357 -0.00698419 -0.00648007 0.00795699 +H 8.59596271 8.72379537 6.49440332 0.00113653 0.00833188 -0.01107611 -0.06137664 -0.03034573 -0.06122261 -0.02150025 -0.00102692 0.00200848 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96060237 5.69341565 5.81458278 -0.00314281 0.00285471 -0.00005029 0.00501082 0.02223152 0.00334640 0.00311727 0.00553662 0.00018106 +C 2.32915056 5.94144461 5.84755126 0.00172350 0.00340568 0.00648463 -0.00305802 0.02274140 0.04710298 -0.00185839 0.00095170 0.00569464 +H 0.53071323 6.43817870 5.45282154 0.01858558 -0.01220084 -0.00057804 -0.01570197 0.03819574 -0.04275697 -0.00276384 -0.01084446 0.00576724 +C 3.19759961 4.86417279 5.79573637 0.00589391 0.00331820 -0.00363318 0.03985383 0.00060926 -0.03422452 0.00452557 -0.00085691 -0.00398038 +H 2.19866143 8.13666250 5.98770576 0.01703830 0.01417990 0.01891966 0.10961883 0.01341889 0.09386417 -0.00770181 0.01072875 0.00786530 +C 4.62178495 5.05234090 5.73928334 0.00298622 -0.00121137 0.00238028 -0.00113149 0.00218716 0.02269510 -0.00278815 0.00135860 0.00285590 +H 2.66478980 3.92498234 5.61254769 0.01018284 -0.02816074 0.02717003 0.25037333 -0.06285741 0.21290802 0.04124380 -0.00270117 0.02230069 +C 5.15123055 6.36789396 5.91697998 -0.00247703 -0.00249107 -0.00361647 -0.00800601 -0.03206084 -0.04670803 0.00052055 -0.00469612 -0.00926713 +H 5.30012533 4.20079705 5.59268080 -0.00102497 0.00533325 -0.01114046 -0.03734601 0.00676835 -0.01413902 -0.00174462 -0.01020914 0.00992696 +C 4.26481165 7.47887304 5.87736174 -0.00118808 -0.00402612 -0.00847002 -0.02256083 -0.03442004 -0.03757123 -0.00555979 -0.00608998 -0.00193541 +N 6.54501960 6.38716088 5.86274527 -0.00024221 0.00350764 -0.00052275 -0.00781956 0.01125107 -0.01264544 -0.00136849 -0.00000213 -0.00283777 +C 2.87488847 7.25161148 5.92403810 -0.00080815 0.00096534 -0.00006174 -0.01286696 0.01015533 -0.00396189 -0.00096791 0.00008766 -0.00082632 +H 4.59163474 8.53488284 5.91084471 -0.04741115 -0.00734068 0.01360338 -0.14797100 -0.02943321 0.06113801 0.01762872 0.00627997 0.00094236 +C 7.36711879 7.43016985 5.99614044 -0.00316650 -0.00147396 0.00812840 -0.01447803 0.00017934 0.06641514 0.00043133 0.00065935 0.00937961 +H 6.88254274 5.47445566 5.64013897 0.00773445 -0.00475306 -0.01762634 0.13361022 0.10202218 -0.06725499 0.02372673 0.02502440 -0.00213413 +O 6.92757091 8.52674375 6.35023822 -0.00417079 -0.00118241 -0.00354202 -0.02408406 -0.00342471 -0.02480232 -0.00299981 0.00091501 -0.00301494 +C 8.87615283 7.28552811 5.82939270 0.00608741 -0.00026241 0.00377634 0.02809832 -0.01866522 0.00849403 -0.00075059 -0.00359768 -0.00056263 +H 9.40423560 7.21170961 6.81227988 0.00927865 -0.02922469 -0.00740085 0.06897900 -0.12658771 -0.07211946 0.01687213 -0.01336117 0.00122126 +H 9.26213768 6.47473182 5.17867722 0.00925079 0.01987129 -0.03534287 -0.08004477 0.12664975 -0.12630489 -0.02283005 0.00311592 -0.01269548 +H 9.13007666 8.17794871 5.20452237 -0.01203947 -0.01182991 0.01723822 0.06015303 0.06410716 0.20590846 0.02954526 0.03476936 0.03503331 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99937128 5.72246751 5.84802871 -0.00114124 -0.00788470 -0.00236102 -0.00513665 -0.05384233 -0.02196657 -0.00032543 -0.00717502 -0.00364933 +C 2.30634502 6.07355630 5.73137984 0.00056643 -0.00504148 0.00421193 -0.01237022 -0.01646162 0.01957653 -0.00370853 0.00136413 -0.00003208 +H 0.93898394 4.81162232 6.18825280 0.00488986 0.01032104 0.01235367 -0.02506021 0.02901644 0.13656823 -0.01147856 -0.00701020 0.02712215 +C 2.70591010 7.03540539 4.77565081 -0.00311045 0.00453535 0.00198582 -0.01620095 0.01244397 0.02016216 -0.00082856 0.00002551 0.00235136 +H 2.86247986 4.87162402 7.46627078 0.02165847 0.05111838 0.02051613 0.07338936 0.22752262 0.13537573 0.00065176 0.01171791 0.00535415 +C 4.08475419 7.38152275 4.73006550 0.00205792 0.01019267 -0.00456498 -0.00184025 0.04635580 -0.03199033 -0.00255478 0.00248562 -0.00449605 +H 1.91740183 7.33479963 4.13613541 -0.01495137 0.00565559 -0.01616934 0.07800371 0.09780226 -0.06655801 0.03588768 0.01257011 0.00831628 +C 5.02007904 6.80150970 5.64022724 -0.00425582 -0.00304064 -0.00143912 -0.01767544 0.01089500 -0.02000885 0.00008829 0.00625422 -0.00429568 +H 4.39000149 8.00989913 3.92980453 0.00415345 -0.01066591 -0.02175559 0.05295321 0.00712956 -0.08313674 0.00275244 0.00531447 0.01114472 +C 4.52387097 5.90472820 6.62963654 -0.00048247 0.00500455 -0.00078450 0.01801064 0.04268582 -0.01668040 0.00694371 0.00522098 -0.00178979 +N 6.35786651 7.28660705 5.54849996 0.00089764 -0.00802136 0.00366308 -0.00479511 -0.06133536 0.03195052 -0.00277235 -0.00559031 0.00165309 +C 3.18354203 5.52984874 6.67285084 0.00564511 0.00522006 -0.00435314 0.04269536 0.04120800 -0.01853741 0.00525000 0.00611077 0.00119506 +H 5.20491970 5.55809079 7.34410758 -0.00581255 0.00091823 -0.01246552 0.00840880 -0.06001425 0.03414841 -0.00922231 0.00008239 -0.00163481 +C 7.47501796 7.01123030 6.28537320 -0.00336142 0.00614923 0.00115592 -0.00005597 0.04079484 -0.01441555 0.00344809 0.00034594 0.00008339 +H 6.56961263 7.89811507 4.80943186 -0.00678069 0.00262808 0.03014682 -0.07415093 0.08263956 0.07884653 -0.01718456 -0.00644185 0.01678876 +O 7.51002748 6.27794327 7.21489202 0.00382352 -0.00375224 0.00358331 0.02461303 -0.02883695 0.03610759 0.00316812 -0.00234438 0.00434929 +C 8.83422298 7.58380956 5.70783566 0.00223761 0.00052715 -0.00143974 -0.03050932 -0.01768836 -0.01041807 -0.01093225 -0.00441892 -0.00245458 +H 8.60727939 8.23032281 4.85478651 -0.01053801 -0.00873609 0.01214448 -0.04871551 0.02236474 0.01946446 -0.00082413 0.01735956 -0.00174930 +H 9.38529469 8.22814401 6.42739310 -0.01052765 -0.01435160 0.00164836 0.01969720 -0.16679401 0.04954559 0.01904950 -0.02766339 0.01248789 +H 9.37361659 6.70896438 5.32719380 -0.02876096 -0.02129953 -0.03442799 -0.11318596 0.01563715 -0.11103597 0.00110742 0.01565256 0.00055357 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98394681 5.74096648 5.80069775 -0.00026726 -0.00645438 -0.00300973 0.01099872 -0.03748118 -0.01453039 0.00229495 -0.00466635 -0.00349503 +C 2.31995698 6.08351853 5.96124604 -0.00509914 0.00642418 0.00323273 -0.04511744 0.03362627 0.00442563 -0.00386737 0.00279374 -0.00325402 +H 0.77524945 5.55689383 4.93159868 0.02568844 0.01092020 -0.00690388 0.11884390 0.02875982 -0.07757664 0.01036257 0.00199718 0.02018193 +C 2.75440111 6.83844030 7.04734704 0.00488273 0.00079180 -0.00710569 -0.00081442 0.01354856 -0.01029506 -0.00568003 0.00274388 0.00479823 +H 3.01854230 5.06472643 4.14947552 0.02262189 -0.00113506 -0.00654222 0.02385410 0.08450428 0.03351176 -0.01532336 0.01472727 0.00356414 +C 4.10985878 7.16270079 7.19540319 -0.00753153 0.00176750 -0.00918881 -0.01542074 0.01966022 -0.02947731 0.00278912 0.00238191 -0.00116534 +H 2.06647799 7.14279839 7.78100486 -0.00450397 -0.01222940 0.04562522 0.09387131 -0.11698148 0.08921227 0.02407956 -0.01594503 -0.01902804 +C 5.07781945 6.74658044 6.24102987 0.00440256 -0.00230258 0.00526825 -0.01389882 -0.02150499 0.01495743 -0.00689942 -0.00261131 -0.00004867 +H 4.38547118 7.67886129 8.10619873 0.01340525 0.00434585 0.03564148 0.00656527 -0.07152861 -0.07028144 -0.00361693 -0.00735574 -0.02559929 +C 4.62312215 6.06412880 5.07873960 0.00754667 -0.00129151 -0.00130133 0.00515421 -0.00386344 0.02747333 -0.00125210 -0.00125409 0.00440392 +N 6.36146173 7.07649934 6.44670268 -0.00305078 -0.00318456 0.00168652 0.00832121 -0.00075108 0.03045731 0.00539779 0.00214156 0.00571035 +C 3.23718741 5.70522981 5.00016808 0.00303365 0.00612135 0.00819916 0.04889482 0.02890254 0.02678619 0.00676989 0.00275484 0.00094569 +H 5.21019943 5.74721525 4.28481171 -0.02663919 0.01032377 0.01666191 0.07865074 -0.02075663 -0.07218179 0.00999349 0.00089753 0.01184908 +C 7.41855173 7.01249978 5.62838852 -0.00730551 0.00031497 0.00293859 -0.01367441 -0.01058228 0.01006944 0.00336715 -0.00370633 -0.00126557 +H 6.49364503 7.52965785 7.32041836 0.03521963 0.01140619 0.01217882 0.18041319 -0.00291160 -0.03193927 0.00716289 -0.00784593 -0.00847999 +O 7.44102022 6.46612280 4.53207516 -0.00332137 0.00064525 -0.00486249 -0.02421325 0.01015245 -0.02767130 -0.00359636 0.00259399 -0.00213698 +C 8.72613139 7.62778591 6.18733262 0.00234923 -0.00236950 -0.00251127 -0.01094453 -0.00277026 -0.01898584 -0.00395509 -0.00113520 0.00086936 +H 9.68135874 7.18558155 5.91205570 -0.00220148 -0.00225703 0.02818696 -0.01906246 -0.12843982 0.10656293 -0.01411040 -0.02587434 -0.00212846 +H 8.74733699 8.68617811 5.81237023 -0.00328935 -0.00624721 -0.01663371 0.02908309 -0.08962552 -0.08059697 0.01490406 0.00510657 -0.01694655 +H 8.59260580 7.65843692 7.22864810 0.01189847 0.00865043 -0.00112142 0.12788092 0.08178765 0.05254289 0.01619538 0.01398277 -0.01632925 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97673122 5.84596068 5.84302485 -0.00104421 -0.00042392 0.00135028 -0.00844219 -0.00538573 0.01774110 -0.00357429 -0.00056508 0.00165797 +C 2.32986346 6.03374887 5.95001844 -0.00415414 -0.00682362 -0.00464257 -0.02307928 -0.04872386 -0.03584709 0.00008210 -0.00512229 -0.00637666 +H 0.64937672 6.22842276 5.07408026 -0.02123644 -0.01785588 0.01730075 -0.16855892 -0.08056648 0.02067690 -0.00321615 -0.01890305 0.02156386 +C 3.03425809 5.65913190 7.08411744 0.00060365 0.00582893 -0.00463400 -0.00234746 0.03810244 -0.01701886 -0.00300738 0.00305694 0.00157841 +H 2.63748553 6.98587106 4.05763119 0.01102862 0.00421351 0.01306844 -0.07624520 0.03132125 -0.07093635 -0.01406326 -0.00342222 -0.00469405 +C 4.40982399 5.78756795 7.23576806 0.00290572 -0.00019823 0.00382737 0.01246073 -0.01256632 0.01534962 0.00058409 -0.00260280 0.00072171 +H 2.48200302 5.35915534 7.96172185 0.01455363 0.02273245 -0.04760415 -0.09703260 -0.04540951 -0.04329557 -0.02256382 -0.02305497 0.01620867 +C 5.13275990 6.30368669 6.17880005 -0.00245624 0.00028835 -0.00252157 0.01117927 0.02512935 -0.01154226 0.00542188 0.00456626 0.00260926 +H 4.89173714 5.42300185 8.10723499 -0.01520986 -0.00364799 0.01091318 -0.06469564 0.02242322 0.11217856 -0.00608318 0.01472016 0.00113651 +C 4.40896386 6.82421273 5.06120083 0.00159504 -0.00336357 0.00649726 0.03644337 -0.02229348 0.01654804 0.00616555 -0.00235063 -0.00209469 +N 6.50369495 6.54653124 6.37789414 0.00339242 -0.00018615 0.00065125 -0.00183574 -0.00623269 0.00070427 -0.00158860 -0.00123803 -0.00026658 +C 3.05850853 6.57006014 4.92626469 -0.00120736 0.00612101 -0.00057071 -0.00668653 0.05871382 -0.01207038 -0.00184758 0.00999044 -0.00417245 +H 4.88065056 7.32041346 4.22846698 0.03325418 0.01375072 -0.00247247 0.09389832 -0.00493650 0.13221475 -0.00373219 -0.00648739 0.01855929 +C 7.34294751 7.29337653 5.64009897 0.00567946 -0.00592853 0.00475633 0.04873844 -0.03229712 0.02460435 0.00489903 -0.00180414 -0.00156743 +H 6.76519185 6.19404505 7.29997654 -0.00222934 -0.00351947 -0.01035237 0.13094627 -0.01456575 -0.05171451 0.02870069 -0.00377439 -0.00157000 +O 7.19343459 7.82340402 4.58662051 -0.00550019 -0.00014491 0.00000072 -0.05436979 -0.00363027 -0.01183890 -0.00867201 -0.00173724 -0.00131292 +C 8.68863343 7.57768449 6.20116909 -0.00340000 0.00282874 -0.00217279 0.01722357 0.01923872 -0.00798138 0.00586385 0.00182564 0.00260980 +H 9.32393645 6.64836468 6.19730092 0.02316742 0.00070926 -0.00002444 0.02235577 0.13803592 0.08929742 0.00380479 0.00456031 0.02203793 +H 9.24820000 8.36626774 5.58764544 0.01801696 0.00632089 -0.00317733 -0.01444427 -0.08792610 0.03605750 0.00085850 0.00466877 -0.01447055 +H 8.49989307 8.07726763 7.16937669 0.00055671 0.00376968 -0.01457090 0.07697122 -0.03017379 0.00519131 0.01633559 -0.00463687 0.01919599 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01724249 5.74908484 5.67155287 -0.00188960 -0.00076904 -0.00194038 -0.01579244 -0.02035387 -0.00611805 -0.00136899 -0.00191850 -0.00112397 +C 2.29986491 6.14435421 5.79091769 0.00273467 -0.00006408 0.00074089 0.01385541 -0.01781728 0.01408901 -0.00242544 -0.00509595 0.00273310 +H 0.87093592 4.89108000 6.08443031 -0.02629742 -0.02040146 0.00013780 -0.13775992 0.02279706 -0.09001460 -0.01846697 -0.01682365 -0.00502575 +C 2.58735688 7.47983208 5.48623850 -0.01041490 -0.00232002 -0.00039160 -0.04098349 -0.01467474 -0.00820459 0.00063261 -0.00176978 -0.00135043 +H 3.01288628 4.20148032 6.52864102 0.00890951 -0.01712746 -0.00457870 0.15554781 0.01365368 -0.09025945 0.01329216 -0.01955443 -0.00714703 +C 3.90544894 7.85832803 5.52786282 0.00041764 -0.00220576 0.00443222 0.01226867 0.00946442 0.01686401 -0.00185968 0.00362723 -0.00012551 +H 1.94875235 8.24135312 5.07866965 -0.00704013 0.00362951 -0.00751685 -0.17685730 -0.10762058 0.01936359 -0.03139081 -0.03380767 0.01409571 +C 4.98431732 7.00669127 5.95009415 -0.00118483 0.00618204 -0.00441503 -0.00944756 0.01672781 -0.03462025 -0.00018283 -0.00162532 -0.00444327 +H 4.14645987 8.84380663 5.11506860 -0.03123001 0.01035166 -0.01693182 -0.15057645 -0.01584829 0.01186743 0.00183608 0.00573978 0.01363130 +C 4.66343100 5.65303576 6.31590166 -0.00363092 0.00290931 -0.00093288 0.00261302 0.02575176 -0.00347698 0.00057667 0.00586747 -0.00080578 +N 6.30392263 7.46182256 5.76560662 -0.00103774 0.00440090 0.00344918 -0.00197571 0.02082883 0.02767370 0.00279932 0.00097475 0.00388948 +C 3.35072836 5.23629819 6.21944470 -0.00041670 -0.00123074 0.00296266 -0.04495720 -0.00667044 0.02015637 -0.00621091 0.00263519 0.00199325 +H 5.37323979 4.89125217 6.60743734 0.03207352 -0.01705430 0.01589690 0.02264299 0.13846868 0.01458115 -0.00908943 0.03304742 -0.00504712 +C 7.46879286 6.81064862 5.98851361 0.00193987 0.00357893 -0.00198338 0.03632511 0.01220194 0.00444545 0.00576746 0.00168379 0.00317443 +H 6.35193135 8.42946712 5.44736156 0.02697421 -0.00966206 -0.01731786 0.16478509 -0.06336815 -0.10379440 0.00830781 -0.00228624 -0.01044309 +O 7.64805274 5.63826319 6.44225896 0.00171875 0.00578065 -0.00302819 -0.00250745 0.05687502 -0.03052489 -0.00212657 0.00849032 -0.00491703 +C 8.76196768 7.63432757 5.76830309 0.01118038 -0.01113050 0.00363665 0.05541510 -0.08042776 0.02634349 0.00376167 -0.01093342 0.00265824 +H 9.62397916 6.95153022 5.63886166 0.00873512 -0.03317242 0.00453371 -0.01329320 -0.09861276 -0.00779944 0.00047598 -0.00438837 -0.01339507 +H 8.64432987 8.28726069 4.89585711 -0.02550514 -0.00007014 0.01441986 -0.05467142 -0.04156364 0.10072884 0.01528057 -0.01094944 0.00554378 +H 8.87585460 8.23069684 6.71317029 0.02306221 -0.00618278 -0.00596388 0.20913668 -0.05634794 -0.08178252 0.03562747 -0.00197411 0.00393741 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96860692 5.76601389 5.74542862 -0.00593859 -0.00014695 0.00459239 -0.04770847 -0.00006617 0.05246035 -0.00466559 0.00053138 0.00908175 +C 2.25048645 6.06399851 5.99523180 0.00971674 0.00615296 0.00049545 0.06431089 0.02624096 -0.00958223 0.00270428 -0.00014412 -0.00205204 +H 0.60552390 5.44913327 4.97090300 -0.02322233 0.00017457 0.00030760 0.02006215 0.05421974 -0.01448154 0.02997414 0.02062996 0.01245379 +C 2.89857301 6.05672711 7.25256205 0.00184711 -0.00053892 0.00379220 0.00949346 -0.01213859 0.03096881 -0.00060373 -0.00311324 0.00437965 +H 2.60999228 6.32621469 3.88825345 0.02556239 0.02055706 -0.01013660 0.13492116 0.06974122 -0.04039528 -0.00269774 -0.00269816 -0.01574572 +C 4.27843478 6.31729727 7.45246421 -0.00105177 0.00097402 -0.00369303 -0.00227053 0.00261432 -0.05031904 0.00053352 -0.00061577 -0.00757054 +H 2.40865440 5.71609453 8.12010994 0.00446737 -0.01070642 -0.00818063 -0.11399357 0.00172170 0.02854311 -0.01665128 0.01896185 -0.00325835 +C 5.06111905 6.49657986 6.24672734 -0.00003533 0.00136372 -0.00206735 0.01461337 0.01632252 0.02271942 0.00227804 0.00296803 0.00357532 +H 4.68846606 6.33160611 8.44927708 0.00274725 -0.00221773 0.00763211 0.00891640 -0.03474728 -0.06842204 0.00129020 -0.00578112 -0.02253712 +C 4.44382615 6.51222700 5.01150494 -0.00286703 -0.00646808 -0.00139590 0.00110809 -0.03293647 -0.03013345 0.00262577 -0.00298746 -0.00511534 +N 6.45816678 6.73032495 6.43468946 -0.00530552 -0.00158021 0.00068554 -0.02816299 -0.00434137 -0.01656228 -0.00018894 0.00065815 -0.00569249 +C 3.07211492 6.26282038 4.88706249 0.00156536 -0.00241587 -0.00257632 0.01355544 0.00108000 -0.03700374 0.00391180 0.00284890 -0.00629828 +H 5.09968339 6.78952048 4.19842189 -0.01027396 0.00672934 -0.03167345 -0.21076399 -0.07326337 -0.14629876 -0.02624580 -0.02214922 -0.01185942 +C 7.43836971 7.20523452 5.59163848 -0.00004022 -0.00086875 -0.00310087 -0.00662800 -0.00596485 -0.02488731 -0.00212280 -0.00158261 -0.00024771 +H 6.73011551 6.54898100 7.40178982 0.00381177 -0.02188920 -0.01425322 0.07451065 -0.11164225 -0.08241777 0.01241776 -0.00885073 -0.00554781 +O 7.34425451 7.49492425 4.35869035 0.00661654 -0.00022031 0.00255897 0.03096322 -0.01142739 0.03321262 0.00177914 -0.00262326 0.00468005 +C 8.80875805 7.51437507 6.17965582 -0.00453116 0.00172856 0.00321052 -0.02576303 0.02300965 0.02601082 -0.00381833 0.00483284 0.00538638 +H 9.37474992 6.65109612 6.54114328 0.02338381 0.01128751 -0.00886617 0.07504690 0.05531154 -0.10923894 -0.00265928 0.00215278 -0.01951190 +H 9.40120104 8.04329279 5.42508093 -0.00275704 0.02566173 -0.01870321 -0.09943950 0.08884298 0.07432020 -0.01667852 0.00983847 0.02955973 +H 8.64693238 8.15205745 7.01435817 -0.01561196 -0.00094710 0.02441414 -0.04740060 -0.02462438 0.08936307 0.00405127 -0.01433986 -0.00823813 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02730803 5.69277371 5.79134585 0.00274991 0.00199315 0.00198071 0.00116885 0.00772701 0.00718051 -0.00182143 -0.00020338 -0.00156545 +C 2.34263012 6.00428243 5.76290638 -0.00148583 0.00217136 0.00053228 -0.02121360 0.01925705 0.01499793 -0.00433851 0.00380504 0.00288804 +H 0.50033681 5.76883300 6.61489953 -0.02197194 -0.00083724 -0.01278787 -0.02128412 0.01681831 -0.04660010 -0.00104671 0.00876687 0.02701026 +C 2.93385254 6.28440008 4.55251791 -0.00645361 -0.00259028 -0.00202474 -0.05113194 0.00828226 -0.01578792 -0.00681334 0.00413083 -0.00242562 +H 2.63959587 5.64256549 7.83004684 0.01496091 -0.01645710 -0.01813992 0.05805848 0.01829141 0.02728052 -0.00379416 0.01896748 0.02689944 +C 4.24061261 6.69779842 4.50279401 -0.00546382 -0.00246076 -0.00068536 -0.00711492 -0.01839661 -0.02092212 0.00268533 -0.00300387 -0.00337466 +H 2.31296353 6.51758022 3.68269285 0.00655073 -0.01574224 0.00768244 -0.03649078 -0.25649470 -0.07048843 -0.01413415 -0.04929802 -0.02181497 +C 5.08593639 6.69077782 5.60962122 0.00287460 0.00108372 0.00222215 0.00265295 0.00753172 0.00538303 -0.00234500 0.00093090 -0.00254120 +H 4.61647765 6.97931127 3.51685248 0.01160011 -0.01337617 0.00326576 0.06550766 -0.08193886 0.01863546 0.00759673 -0.00813433 -0.01030676 +C 4.43984095 6.42325959 6.86507687 -0.00599917 -0.00331368 -0.00380784 -0.00633699 -0.02938999 -0.01754190 0.00255525 -0.00436811 -0.00446438 +N 6.44995750 6.94324146 5.34219503 0.00504444 -0.00323194 -0.00341527 0.02617225 -0.01379095 -0.02078061 0.00283835 -0.00028404 -0.00177389 +C 3.07702336 6.10509880 6.93853019 -0.00269606 0.00528318 0.00136375 -0.01368062 0.01252397 0.00167851 -0.00038542 -0.00145909 -0.00061623 +H 5.00851181 6.28392049 7.83406826 0.00505013 -0.02517145 -0.01182906 0.01467654 -0.08991354 -0.15275468 0.02072229 -0.00664922 0.00974718 +C 7.40869079 7.21784077 6.20344043 0.00560772 -0.00221530 -0.00123829 0.02901873 -0.04831857 0.04075736 0.00197234 -0.01088148 0.00959157 +H 6.75745065 6.88335925 4.40106682 0.01309196 0.03126245 -0.00341405 0.01575616 0.22440249 -0.03736143 -0.01403398 0.02701492 0.00844788 +O 7.23170469 6.98387298 7.40577376 0.00264903 0.00081120 0.00539546 0.02402069 0.01783790 0.03103049 0.00407637 0.00383330 0.00416636 +C 8.81915667 7.49107542 5.77002398 0.00056456 0.00309957 0.00206407 0.00467107 0.01756693 -0.00977261 0.00171793 0.00450269 -0.00225897 +H 9.32389290 8.20361333 6.34624358 -0.00977311 0.00415184 0.00457143 -0.06409733 0.13598382 0.04236790 -0.01918157 -0.00032772 -0.00881239 +H 9.43073447 6.59861167 5.92607585 -0.00872392 0.00276897 -0.02098307 -0.03612283 -0.03159444 -0.13947797 0.00285425 -0.00492905 -0.01738512 +H 8.80349733 7.66258524 4.68792693 -0.01105545 0.02119646 0.00077260 -0.00720129 0.21902537 0.05506614 0.00478443 0.03650416 0.00772983 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97346833 5.65791453 5.97124322 0.00421741 -0.00248207 0.00018879 0.05125868 0.00410549 -0.00044463 0.00762124 0.00182359 -0.00067775 +C 2.31567892 6.13801432 5.84740799 -0.00434340 -0.00211336 -0.00026528 -0.02888829 -0.04594507 -0.00073377 0.00144342 -0.00661492 0.00091901 +H 0.80085744 4.94478803 5.34509695 0.00767127 0.01335276 0.01373810 0.00969581 -0.02786900 0.02889896 -0.00045427 -0.00962898 0.00350666 +C 2.71933812 7.33319021 6.43891072 0.01167757 -0.00106161 -0.00297049 0.00794430 0.02148343 -0.01506038 -0.00950705 0.00218756 -0.00271945 +H 3.05230400 4.30342085 4.79288504 0.00532822 -0.00166654 0.00148032 0.03236523 0.04322685 0.03867978 0.00032029 -0.00555949 -0.00083614 +C 4.02366606 7.82004753 6.53586218 0.00036943 0.00119451 0.00187840 0.01612515 -0.00955004 0.00435872 0.00256274 -0.00534192 -0.00164589 +H 1.95253707 8.04227241 6.72105901 -0.04108008 -0.00566267 -0.01133670 -0.06399714 -0.17925593 0.01010689 0.00924606 -0.01823687 0.02159146 +C 4.99941492 6.97373655 5.94648919 -0.00334509 -0.00175204 0.00238475 0.00296518 0.02815368 0.03463592 0.00369854 0.00669464 0.00552960 +H 4.24786367 8.78755444 7.07012668 0.01310400 0.00900151 0.00261562 0.04003496 -0.05973052 -0.10327258 0.00466683 0.01098730 -0.00912518 +C 4.64048811 5.74306804 5.37173331 0.00299359 0.00598966 -0.00063542 -0.00670446 0.01228989 -0.02676143 -0.00408579 -0.00044442 -0.00606962 +N 6.31481133 7.49431175 5.99740860 -0.00291835 0.00746810 -0.00026262 -0.03312408 0.04127409 -0.00513874 -0.00472297 0.00031615 -0.00187690 +C 3.28485567 5.28655192 5.26221395 -0.00005508 -0.00284422 -0.00039551 0.01592725 0.00751186 0.01550036 0.00359377 0.00548186 0.00514354 +H 5.38335971 5.07949897 4.92839359 -0.02741355 0.00326807 -0.02158467 -0.05577303 0.04092873 -0.12964086 0.01544456 0.00775050 -0.01318842 +C 7.44406954 6.85418067 5.87130170 -0.00459088 -0.00791096 -0.00302505 -0.00325296 -0.04014937 -0.02054886 0.00212296 0.00260599 -0.00185765 +H 6.50228572 8.49426168 6.18761404 0.00006816 0.02128941 0.00801354 -0.13299932 -0.00573713 0.02301390 -0.02532832 0.01156714 0.00450971 +O 7.61476703 5.61048116 5.75669547 -0.00476874 0.00151770 0.00249222 -0.04139344 0.01402198 0.01551917 -0.00677054 0.00014511 0.00167148 +C 8.66543242 7.74953052 5.93764873 0.00221180 -0.00114690 -0.00031009 0.03646828 -0.01524534 0.00373687 0.00427107 -0.00245452 0.00233925 +H 8.81505701 8.12801180 6.93174454 0.01678109 -0.01784972 0.00359120 0.05499433 -0.12330555 0.06513319 -0.00308369 -0.01278948 0.00022399 +H 9.57581445 7.09123904 5.74341358 -0.00160157 -0.00881623 0.01407881 -0.05006726 0.00348680 0.04776996 0.01947304 -0.01225951 -0.01011708 +H 8.77481063 8.63828843 5.34860496 0.01784479 0.01354015 -0.00971744 -0.01414216 -0.05908506 -0.09048691 -0.01700786 -0.03266404 -0.00578400 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99624739 5.63815023 5.88204894 -0.00274036 0.00377643 -0.00016318 -0.00732822 0.03598197 0.00558374 0.00033627 0.00623747 -0.00032587 +C 2.28555302 6.07921867 5.90785334 0.01015582 -0.00105953 -0.00543762 0.02537983 -0.00101568 0.02535653 -0.00385041 -0.00005542 0.01040036 +H 0.65151470 5.45222433 5.02159577 0.00313686 0.02087026 0.02136710 -0.03043641 0.09648519 -0.03479826 0.00220964 0.01237670 0.00328183 +C 2.78643079 6.64558630 7.12398275 -0.00339037 -0.00204146 0.00054565 0.02260184 -0.02257451 -0.02516673 0.00560780 -0.00442171 -0.00480295 +H 2.74459852 5.54410989 3.94883770 0.00675389 0.01659429 0.01687026 0.02713252 -0.01452861 -0.04989012 0.01105882 -0.01018570 0.00014425 +C 4.20767180 6.90254504 7.28021759 -0.00176475 -0.00127797 -0.00508482 -0.04884366 -0.01708072 -0.03481843 -0.00722033 -0.00277845 -0.00246132 +H 2.15177876 6.85183290 7.99140846 0.02777248 -0.02202054 -0.03800180 -0.06084417 -0.13984357 -0.00239275 -0.02401226 -0.01702310 0.01752338 +C 5.06415728 6.71400428 6.22198644 0.00971922 0.00372066 -0.00334788 0.04488882 0.01835528 -0.01871250 -0.00134277 0.00088446 -0.00092876 +H 4.60179108 7.21976279 8.22094404 -0.02687815 -0.03752492 -0.01333045 -0.12189812 -0.12907927 0.08020877 -0.01328229 -0.00250531 0.00751446 +C 4.49728947 6.23128261 5.03533904 -0.00514314 -0.00573640 0.00490710 -0.00685975 -0.04270652 -0.00099268 0.00675514 -0.00528799 -0.00553065 +N 6.43123413 6.95943425 6.45059351 -0.00319941 0.00569728 0.00468662 -0.00712736 0.03348347 0.04404046 0.00331506 0.00382383 0.00602759 +C 3.12941655 5.88556780 4.86550722 0.00002767 -0.00277413 0.00567524 0.02858350 -0.00984324 0.02258581 0.00520579 -0.00146465 -0.00203868 +H 5.11371612 6.06489482 4.20231405 -0.00728209 -0.00363761 -0.01228993 -0.04338266 -0.02446404 -0.05674592 -0.00996573 -0.00311879 0.00680354 +C 7.48020386 7.06499602 5.64076109 0.00128075 -0.00042450 0.00423338 -0.00941123 0.00611003 -0.01720334 -0.00485752 0.00231189 -0.00585870 +H 6.66548085 7.00963603 7.40568865 0.01215873 -0.00473772 0.02173946 0.02083339 0.03176891 0.03718798 -0.00867481 0.01394005 -0.01000435 +O 7.37659708 6.89232447 4.39302707 -0.00361767 0.00126291 -0.00354231 -0.01449652 0.01298899 0.00400057 -0.00064348 0.00229609 0.00382333 +C 8.79678994 7.52562219 6.28167792 0.00045740 0.00091025 0.00044511 -0.01685348 -0.00807985 0.00519895 -0.00285399 -0.00572889 -0.00323442 +H 9.46384308 8.01575026 5.58344246 -0.00075002 -0.02359810 -0.01152445 0.02185301 -0.19232544 -0.09097144 -0.00273524 -0.02710305 -0.00400066 +H 8.53641530 8.28418694 7.09513449 -0.00311593 0.01708887 -0.00936581 0.07132964 0.01255244 -0.11754923 0.01593594 0.01504829 0.00394665 +H 9.13157900 6.59048592 6.70815921 -0.00157763 -0.01872268 -0.00484598 0.09035199 0.03242911 -0.00781261 0.01873586 0.02708518 0.00776289 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.08476461 5.69294850 6.06156560 -0.00232832 -0.00036176 -0.00352078 -0.01324839 -0.00660801 -0.03096651 -0.00069956 -0.00190910 -0.00561091 +C 2.37153550 6.11396766 5.93990143 0.00340995 0.00191816 0.00572587 -0.00461972 -0.00313305 0.02181354 -0.00444098 -0.00083486 0.00117479 +H 0.48627246 6.29354975 6.54819853 0.00257485 -0.01243278 0.00177898 0.01800943 -0.06460551 0.04036779 -0.00773430 0.00310378 0.01754050 +C 2.68724086 7.30404059 6.51871046 0.00139669 0.00062909 0.00292707 0.02844907 0.03401495 0.03663500 0.00979776 0.00359851 0.00355228 +H 2.88365852 4.63571735 4.45160647 -0.02294025 0.00306044 0.01026474 -0.03728760 -0.00391602 0.13173665 0.00272081 -0.02036274 0.00676861 +C 4.02928493 7.69283160 6.44503530 0.00591960 -0.00427142 -0.00322413 0.04409421 -0.00487084 0.00755499 0.00289118 0.00192933 0.00523898 +H 1.95617284 7.97476675 7.08710785 -0.00798590 0.02360889 -0.00421157 0.06001496 -0.02194124 -0.10560183 -0.01262386 0.00888632 0.00563289 +C 5.01004689 6.89684897 5.80674174 0.00229016 -0.00027745 0.00786645 -0.00372687 -0.02441877 0.03610190 -0.00070827 -0.00824753 0.00052989 +H 4.43596685 8.56023753 6.97934993 -0.00053716 0.01917205 0.00986889 -0.14221533 0.02504415 -0.05279241 -0.01839032 0.00924682 -0.01262240 +C 4.61140666 5.76311387 5.09926258 -0.00263753 -0.01010355 -0.00355997 0.02680304 -0.03671088 -0.02371191 0.00896700 -0.00010073 -0.00330405 +N 6.25775638 7.41363404 5.80591785 -0.00282261 -0.00480538 -0.00637675 0.00039814 -0.01089177 -0.02624684 0.00038840 0.00106696 -0.00103928 +C 3.29115092 5.41332347 5.12245532 0.00322191 0.00803283 -0.00247157 -0.02849325 0.03156561 -0.01629559 -0.00871622 0.00176570 -0.00058616 +H 5.33870226 5.31013767 4.50486657 0.01447894 0.00529360 -0.02016473 0.00127122 -0.07084334 -0.10271135 -0.02548129 -0.01482054 0.00685565 +C 7.46985218 6.85138895 5.95210817 -0.00359199 -0.00125765 0.00612849 -0.04393698 -0.02945535 0.02593611 -0.00562548 -0.00268633 0.00112043 +H 6.30675424 8.38752790 6.04665394 -0.03093425 0.00019533 -0.00141868 -0.15002121 -0.00611644 -0.09954867 -0.00069989 0.00267766 -0.02541039 +O 7.62260216 5.61357304 5.96442655 -0.00018497 0.00438420 0.00063968 0.00160452 0.03225949 0.00659138 0.00050019 0.00271773 0.00136767 +C 8.61332330 7.76986260 6.07301201 0.00234536 0.00350606 -0.00194255 0.01347783 0.02201571 -0.00405109 0.00172825 0.00155627 -0.00103579 +H 8.37407667 8.75864033 5.73620185 -0.01432707 -0.00395553 0.01332810 -0.05299358 0.05760759 0.01165598 0.00593745 0.00332072 -0.00263181 +H 8.91403756 7.85492328 7.12561618 -0.00007564 -0.00973724 -0.01955875 0.03247339 -0.05062918 0.00175199 0.00912636 -0.00179372 0.01710159 +H 9.42975240 7.35602413 5.55457839 -0.00834874 -0.00054107 0.00802169 0.06815903 0.01059430 -0.07396860 -0.00147881 0.01806189 -0.01116461 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.05225887 5.82886352 5.88102216 0.00012309 -0.00490721 -0.00466754 -0.01915505 -0.02778624 -0.02219470 -0.00597992 -0.00458078 -0.00308585 +C 2.35056163 6.10604983 5.95468298 -0.00315080 -0.00524479 0.00132553 -0.01808600 -0.01574311 0.01327696 -0.00020508 0.00045475 0.00177859 +H 0.79474067 5.17850180 5.24326565 0.00626840 0.00740001 0.01722164 0.02692078 -0.09517937 -0.01838126 0.00896254 -0.00874301 0.00136605 +C 2.77699056 7.15380908 6.76035501 0.00001365 0.00540072 -0.00451615 -0.00086573 0.03492448 0.00347790 0.00017332 0.00251004 0.00315901 +H 2.89248612 4.68320631 4.48727666 0.00053044 -0.01017571 -0.01569959 0.04214962 -0.06029633 0.00123222 0.01066998 -0.01033220 0.01218061 +C 4.13582502 7.40828411 6.91162925 0.00141227 0.00396703 0.00229176 -0.00084960 0.02583357 0.00215178 -0.00182707 0.00153280 -0.00256050 +H 2.13014157 7.67713061 7.48752747 0.01338451 0.00796693 0.01581842 0.00803064 0.02647134 -0.06129480 -0.02536057 0.01172646 -0.01440319 +C 5.04857127 6.73348584 6.11459891 -0.00155626 0.00775929 0.00216344 0.01304609 0.04198166 0.03152791 0.00453287 0.00329051 0.00568974 +H 4.49231705 8.20874286 7.65394055 0.01950800 -0.04035191 -0.01235412 0.08476633 -0.14852456 0.03240632 0.00751095 0.02379164 0.04161652 +C 4.63366270 5.67650187 5.25843285 0.00160758 0.00522556 0.00005720 -0.01230913 0.05907243 0.01205658 -0.00553505 0.01113972 0.00294960 +N 6.35715605 7.06845665 6.46347295 0.00509678 0.00217789 0.00480761 0.01450159 0.00877668 0.02269283 -0.00024547 0.00055384 0.00056377 +C 3.24400105 5.40633507 5.19767421 -0.00123766 -0.00597224 0.00363971 0.01804489 -0.05554546 -0.00412750 0.00497892 -0.00728306 -0.00251377 +H 5.39304232 5.12327839 4.63649636 -0.03705432 0.02820749 -0.00058284 -0.12154292 0.08048346 -0.08661578 0.01616575 -0.00727823 -0.02480965 +C 7.39034706 7.01315033 5.67193674 0.00163406 0.00073381 0.00061556 0.02592767 -0.00112754 -0.01867577 0.00299967 -0.00115547 -0.00440873 +H 6.54087517 7.46309249 7.37655810 -0.00584759 0.01945599 0.00245294 -0.04741584 0.10773483 -0.02293744 -0.00211152 0.01100798 -0.00514510 +O 7.35750278 6.62059005 4.47186163 -0.00004872 -0.00085735 -0.00315105 0.00657370 0.00281746 0.00192314 0.00198124 0.00142488 0.00297417 +C 8.68170208 7.52628636 6.36111542 -0.00624585 -0.00540986 0.00058572 -0.02518543 -0.05765814 -0.02845370 0.00119199 -0.00871105 -0.00934797 +H 9.44293856 7.27834252 5.66128309 0.00940884 0.00275964 -0.01862208 0.00031363 0.12501656 -0.06532023 -0.01519437 0.02660050 0.00700685 +H 8.61544886 8.61678012 6.50534057 0.00764140 -0.00880022 0.01200062 0.07595088 -0.10467512 0.15638861 0.00502837 -0.01768745 0.02837661 +H 9.00871799 6.87479389 7.21317502 0.00379718 -0.02220007 -0.01637773 -0.06769318 -0.03486288 -0.06292656 -0.01397630 -0.00788002 0.01035488 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03910003 5.69187056 5.84841213 0.00005540 -0.00337827 0.00132264 -0.00780839 -0.01815875 0.00795319 -0.00274921 -0.00467200 0.00041733 +C 2.32141436 6.11797150 5.87957988 -0.00296340 0.00574341 -0.00274430 -0.03023367 0.02229094 -0.02561768 -0.00210529 -0.00011150 -0.00462588 +H 0.94751049 4.79682954 5.70042370 0.00514363 0.00537516 0.00887241 0.03228346 -0.06722336 0.04093923 0.00665697 0.01829707 0.00908058 +C 2.55503439 7.46399237 6.13023147 -0.00773658 0.00462629 -0.00478991 -0.04263656 0.03182853 -0.01635419 0.00011364 0.00245009 -0.00083607 +H 3.23885103 4.14858259 5.26669783 0.00615238 0.02256627 0.00194332 -0.10173131 0.06494472 0.05719873 -0.02217601 -0.01667452 0.00817644 +C 3.88829243 7.86292549 6.25778138 -0.00435203 -0.00061319 0.00442677 0.00972706 -0.02315437 0.02628208 0.00476499 -0.00624680 0.00262513 +H 1.67721049 8.12770332 6.37028257 -0.00907702 0.01777344 -0.00950752 0.06799328 0.07907564 -0.15471311 -0.00429611 0.02522552 -0.02358024 +C 5.02488022 6.94822039 6.14832527 0.00765327 -0.00147351 0.00038920 -0.00174252 -0.00282661 -0.00651028 -0.00678269 0.00080527 -0.00136351 +H 4.08570305 8.94809659 6.43723683 0.00219271 -0.03012596 -0.00487125 0.02815389 -0.05189381 0.03971391 0.00804104 0.02635079 0.01734354 +C 4.69372084 5.58691390 5.79456633 0.00780969 -0.00463210 0.00372831 0.03363809 0.01380656 0.03121956 0.00503082 0.00569614 0.00378242 +N 6.33891934 7.45872326 6.25740796 -0.00260986 -0.00481608 0.00522002 0.00454561 -0.02316759 0.02993687 0.00238561 -0.00239193 0.00238531 +C 3.32081782 5.19711323 5.64029940 0.00784441 0.00265019 -0.00112857 0.08684898 0.02866330 -0.00645043 0.01050388 0.00750673 0.00026769 +H 5.49690559 4.90334650 5.60189432 -0.01682482 0.02923950 0.00015607 0.03720516 -0.06723212 -0.02100200 0.00548589 -0.02347657 0.00390569 +C 7.50076636 6.94427363 5.74773148 0.00156112 0.00806281 -0.00202117 -0.02829384 -0.01066246 -0.02601899 -0.00809832 -0.00950679 -0.00371636 +H 6.50804068 8.31333234 6.74992348 0.00159307 0.02161459 -0.00273932 -0.09436263 0.01292302 -0.05627453 -0.01974521 -0.00807607 -0.00631966 +O 7.51482193 5.87617730 5.04863894 -0.00009464 -0.00181011 -0.00034823 0.00515744 0.02222115 0.01027245 0.00119773 0.00676499 0.00224242 +C 8.79022363 7.53215541 6.23512607 -0.00155114 -0.01059414 -0.00436669 -0.01489275 -0.04247308 -0.02595709 -0.00315628 -0.00294394 -0.00178538 +H 8.73991972 7.54466546 7.31876568 -0.02330345 0.01495920 -0.00918557 -0.08932670 0.09918493 -0.03188137 0.00286694 0.00387040 -0.00405340 +H 9.60052548 6.83466817 5.98535879 -0.01074336 0.01672778 -0.00510647 0.06631916 0.04353743 -0.06943414 0.02108281 -0.00074402 -0.00874721 +H 8.99420595 8.54688435 5.80117306 -0.01673173 0.00622427 0.00996323 -0.11555718 -0.06406161 0.07889428 -0.00966766 0.00325652 -0.00382060 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.11033540 5.63858205 5.72706503 0.00212054 -0.00183082 -0.00386961 0.01141730 -0.02021360 -0.02799162 0.00202341 -0.00220951 -0.00377736 +C 2.35755367 6.04777787 5.83194805 0.00770761 0.00245074 0.00700436 0.04343048 0.03985885 0.07562853 -0.00009177 0.00487609 0.01195859 +H 0.55735694 6.40439963 5.56045690 0.01763859 -0.01477183 0.00702240 -0.03446179 -0.01987977 0.03300083 -0.01568736 -0.00646136 0.00429269 +C 2.61125180 7.39690799 6.33764573 0.00015302 0.00152360 -0.00228045 -0.04740539 -0.01301805 -0.03690573 -0.00777569 -0.00129872 -0.00639652 +H 3.21030395 4.09508249 5.49150328 -0.01574647 -0.01107089 -0.00053856 -0.04116575 0.06573800 0.02182255 0.00133792 0.02272139 0.00326905 +C 3.86369630 7.89041010 6.33064552 -0.00298319 0.00382479 0.00262409 0.02551081 0.02075271 0.02612633 0.00695558 0.00053191 0.00465936 +H 1.76389885 8.02716867 6.58716406 -0.02463549 -0.00235370 0.00507283 -0.02311892 -0.05712812 -0.00060454 0.00223273 -0.00438429 -0.00369493 +C 4.96313657 7.03377879 6.02606762 -0.00102074 0.00231246 0.00235224 0.01605934 0.02699210 0.02812222 0.00484949 0.00017668 0.00404010 +H 4.01423732 8.92906174 6.67276646 0.01041155 -0.02202094 0.01641273 0.08032055 -0.02670110 0.08501508 0.00984978 0.02325466 0.00911030 +C 4.68602735 5.68293106 5.84320733 -0.00172313 -0.00786204 -0.00399536 0.00553694 -0.05951323 -0.03934320 0.00542245 -0.00465904 -0.00607740 +N 6.32113547 7.52099562 6.17657515 0.00276767 0.00246106 -0.00238821 0.00090307 -0.00931580 -0.01484069 -0.00205576 -0.00199167 0.00039728 +C 3.40094786 5.12432470 5.72574660 -0.00040248 0.00728671 -0.00049389 -0.00419056 0.04795005 -0.01168803 -0.00022823 0.00535209 -0.00247771 +H 5.45727843 4.97619028 5.66952785 -0.00166771 -0.00932638 -0.00390783 0.03168568 -0.08409638 0.00439098 -0.00147077 -0.00701609 0.00399029 +C 7.45639727 6.89483274 5.78738424 0.00000006 -0.00040646 -0.00096127 -0.00773998 -0.01308841 -0.03355947 -0.00256911 -0.00152375 -0.00645733 +H 6.51789470 8.28981086 6.76910540 -0.00947012 -0.02329025 -0.01170295 -0.08206434 0.04795460 0.03986209 -0.01222317 0.00180590 -0.00502594 +O 7.40940599 6.02984551 4.87553918 0.00017302 -0.00166420 0.00486985 0.00965236 -0.00697770 0.04367138 0.00242605 -0.00179921 0.00596816 +C 8.84034364 7.30333958 6.35994026 -0.00652272 -0.00156280 -0.00210334 -0.05003753 -0.00605810 -0.03110898 -0.00727608 0.00231982 -0.00392281 +H 9.04862531 6.84401680 7.32452067 0.00266670 0.00644830 -0.01722219 0.02430266 -0.03414236 -0.03929568 -0.00241084 -0.01187204 -0.00176983 +H 9.64346666 7.10060200 5.60667804 0.00740279 0.02865714 0.00647997 -0.00533640 0.10220501 0.07580086 0.00367230 -0.00421856 -0.00462191 +H 8.87258377 8.36555043 6.47846558 -0.00436802 -0.02116281 -0.00988193 -0.07268959 0.04427114 0.00818408 -0.01885644 0.00865886 0.00984752 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.06222107 5.77133050 5.91515268 -0.00138328 -0.00433073 -0.00254177 -0.02313816 -0.04092372 -0.02499763 -0.00414014 -0.00509544 -0.00359324 +C 2.33277890 6.12433741 5.89478236 0.00099636 0.00141590 -0.00334502 -0.00030180 0.00687633 -0.02223999 -0.00252838 0.00047123 -0.00239921 +H 0.96760576 4.92198149 5.44294032 0.00227431 -0.00714591 -0.00721299 -0.03592903 -0.01793290 0.00139888 -0.01425753 -0.02760547 -0.00888173 +C 2.63212410 7.45803761 6.09550217 -0.00492045 -0.00349272 0.00163469 -0.00912820 -0.00305519 0.02015046 0.00085205 0.00407648 0.00376103 +H 3.05369464 4.11310936 5.52257958 0.00898633 0.01780652 -0.00262358 0.09754166 0.06906775 0.01447145 0.01107610 -0.01204794 0.00479271 +C 3.97989605 7.86420651 6.19362411 0.00128057 0.00306800 0.00227071 -0.00608329 0.02385155 -0.00469423 -0.00064067 0.00491473 -0.00360425 +H 1.85547182 8.18077907 6.23719260 -0.00025328 -0.01468164 -0.01005979 -0.08376552 -0.02789228 -0.05025525 -0.00825486 -0.00169027 -0.00407736 +C 5.00629778 6.95159784 5.95774114 0.00830185 0.00234034 0.00338616 0.02044305 0.01395746 0.03282305 -0.00266768 0.00058878 0.00548231 +H 4.11253908 8.90903587 6.34172781 0.02292433 -0.00189413 -0.03142028 0.18232852 0.03387019 -0.12285439 0.01219571 -0.00594097 -0.00163950 +C 4.64086102 5.61879870 5.74723769 0.00014664 0.00749032 0.00014655 0.02389253 0.02171686 0.00933505 0.00575490 -0.00187015 0.00273789 +N 6.27139851 7.41378075 6.12191152 0.00042258 -0.01084115 0.00200094 0.04964348 -0.06769322 -0.00323957 0.01142110 -0.00620592 -0.00179388 +C 3.32690170 5.17270363 5.68911068 0.00365436 0.00714175 0.00485887 0.01830948 0.05258174 0.02899576 0.00267359 0.00793609 0.00309380 +H 5.40554708 4.86932727 5.77313640 -0.02569284 -0.01573115 0.01152419 -0.07750638 -0.08546646 -0.03269922 0.00664929 0.00166743 -0.01946303 +C 7.47550096 6.86836459 5.75743195 0.00841042 -0.00287245 0.00390446 0.00850753 -0.02954207 0.04365405 -0.00493732 -0.00636829 0.00733550 +H 6.37992156 8.37496399 6.41544958 0.00814153 -0.01302314 -0.02049934 0.00924502 -0.04861967 -0.05872185 -0.00089050 -0.00321431 0.00436720 +O 7.65870247 5.74005587 5.29989448 -0.00988668 0.00002705 -0.00296913 -0.06439367 0.00193090 -0.02519961 -0.00776255 0.00023233 -0.00412625 +C 8.62357268 7.66634165 6.25709629 -0.00633691 0.00801646 -0.00423100 -0.00927983 0.02872382 -0.00077100 0.00408878 0.00469713 -0.00088504 +H 8.78159855 7.30052367 7.29902893 0.01594314 -0.02477327 0.03274132 0.08317128 0.06215808 -0.11769600 0.01348905 0.02919016 -0.02113725 +H 9.48179393 7.47414632 5.66411382 0.00442011 0.01753626 -0.00007008 0.03969807 0.08648695 -0.01689737 -0.01074206 0.00808805 0.00307075 +H 8.44059471 8.70236675 6.23647309 -0.00116062 -0.01448107 -0.01549294 -0.06772117 0.11625797 -0.05299269 -0.00997612 0.00284326 0.00546378 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04862192 5.64672357 5.94157685 0.00384418 -0.00334716 -0.00116465 0.01923302 -0.01362385 0.00608374 0.00216346 -0.00112522 0.00232011 +C 2.32409225 6.05882761 6.01233456 0.00699874 0.00072252 0.00197617 0.04622162 -0.01053881 -0.01481025 0.00240219 -0.00215992 -0.00471435 +H 0.87667592 4.90496658 5.35078119 -0.00320756 0.00743526 0.02152650 -0.00099771 -0.07249012 0.06672835 0.00693187 -0.01475990 0.00643989 +C 2.64519217 7.32690996 6.48158370 0.00300222 0.00289434 -0.00450506 0.00913407 0.04375265 -0.01203337 -0.00324922 0.00898291 0.00111143 +H 3.04591958 4.34297348 5.01317492 0.02581177 -0.00624324 -0.00441475 0.14325004 -0.10962867 -0.12647991 0.00847749 0.01362141 -0.01046133 +C 3.97369547 7.85341777 6.40520037 -0.00914476 0.00702866 0.00440472 -0.05517014 0.04303950 0.03839464 -0.00267302 0.00541283 0.00550848 +H 1.89483760 7.86204745 6.96334029 -0.00063773 0.03648711 -0.00266762 0.02449422 0.18431445 -0.09948670 0.01513651 -0.00105515 -0.03119872 +C 4.98664958 7.04359832 5.88842926 -0.00175014 0.00299257 0.00954097 -0.03636948 0.02025780 0.05673712 -0.00708771 0.00151015 0.00542523 +H 4.16184995 8.80844801 6.85317092 0.01269156 0.02027892 -0.00572719 0.02926608 0.06717954 -0.07066259 -0.01127627 -0.00136683 -0.01067391 +C 4.61611504 5.82866790 5.30547502 -0.00106154 0.00004714 -0.00286004 -0.01399277 0.00817403 -0.00845199 -0.00267818 0.00090699 0.00038698 +N 6.26455219 7.52545716 5.95212799 -0.00066930 -0.00762844 -0.00306806 0.03343967 -0.04669248 -0.01285993 0.00804925 -0.00552195 -0.00048416 +C 3.32525174 5.28974017 5.35647199 -0.00816775 -0.00818685 -0.00414692 -0.03686876 -0.03208836 -0.01133322 0.00185872 -0.00382857 -0.00163910 +H 5.44239027 5.36616949 4.80114276 -0.01904728 0.03416605 0.02693213 0.00786307 -0.10603958 -0.00608899 -0.00216866 -0.04216816 -0.01385827 +C 7.45015524 6.85459985 5.84259164 0.00414189 0.00363660 0.00017005 0.02774516 -0.01778552 -0.00016785 0.00299522 -0.00852532 -0.00053753 +H 6.42202636 8.44864502 6.35354750 0.02628803 -0.00774308 -0.00792912 0.05244964 -0.03440063 -0.12034399 -0.00841648 0.01059697 -0.01987077 +O 7.60994759 5.61528333 5.66080911 -0.00010293 -0.00440951 -0.00366680 -0.01036662 -0.00137430 -0.02447803 -0.00232069 0.00348057 -0.00326031 +C 8.73812817 7.64128423 6.08218081 0.00043512 0.00046697 0.00328942 -0.00922622 0.01943671 0.01331020 -0.00332559 0.00393315 0.00265137 +H 8.65210830 8.37265057 6.88302164 0.00571186 0.00813297 -0.01149684 -0.00665143 0.05427744 -0.01110295 -0.00844922 0.00234879 0.00898432 +H 9.52163240 6.91519393 6.38968073 -0.03161172 0.00828737 -0.00563339 -0.03320813 -0.01130346 0.00312262 0.02365687 -0.00826465 0.00748713 +H 9.07185263 8.17188362 5.14492470 0.00000675 0.01390251 0.01496009 -0.00532907 0.03025813 0.10042190 0.00685150 0.00613444 -0.01281714 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95575438 5.74674014 5.95994587 0.00198948 -0.00139107 -0.00248790 0.01112930 -0.00924930 -0.01489303 0.00347027 -0.00198912 0.00043599 +C 2.29734027 6.02181414 5.95774223 0.00414262 0.00487477 0.00320917 0.02616824 0.01940984 0.01853155 0.00015656 -0.00027615 0.00298035 +H 0.36325301 5.95407420 5.20862378 -0.03008154 0.00804186 0.01308987 -0.01679779 0.10906415 0.10876461 0.00009435 0.03502011 -0.01258780 +C 3.09936836 5.46839609 6.98609179 0.00257140 0.00795704 -0.00697385 0.01694034 0.03240262 -0.01620519 0.00250767 0.00028059 0.00440533 +H 2.38212860 7.21614559 4.14533653 -0.02965539 -0.00496845 0.00476125 -0.06263203 -0.10953967 0.09058104 -0.00470899 -0.01164394 0.00185912 +C 4.50787925 5.60157915 7.06199907 0.00253312 -0.00194191 0.00822017 0.00631454 -0.00459512 0.03607044 -0.00046583 0.00084479 0.00053930 +H 2.59840700 4.88608875 7.71892780 0.00808124 0.00334726 -0.00031528 0.03734256 0.03574655 0.01920537 0.00319410 0.01012922 -0.00207569 +C 5.11544645 6.33249349 6.06019605 0.00019496 -0.00347409 -0.00273254 0.02363504 -0.01039860 -0.01505282 0.00480056 0.00087097 -0.00259233 +H 5.16712882 5.25104409 7.84790264 0.00291728 -0.01646005 0.00457849 -0.12336889 -0.16043667 0.05579244 -0.03108442 -0.02040743 0.00776676 +C 4.37356919 6.91308902 5.04590546 0.00050194 -0.00317887 -0.00797124 -0.01322300 -0.01212384 -0.07196875 -0.00560042 -0.00287620 -0.00759940 +N 6.47779358 6.54569830 6.21380194 0.00330126 -0.00088842 -0.00511981 0.01757079 0.00043434 -0.05107886 0.00257889 -0.00051211 -0.00753535 +C 2.97994694 6.72434256 4.92646037 -0.00717052 -0.00512274 0.00991979 -0.04994865 -0.01307048 0.05641184 -0.00278113 0.00198616 0.00471236 +H 4.87164032 7.55501732 4.28214681 0.00084219 0.01391715 -0.00183133 -0.04354207 0.00630622 0.01330048 -0.00083671 0.00406759 -0.01943072 +C 7.35528308 7.40004706 5.65007179 0.00042808 0.00457143 0.00004120 0.01498653 0.02958231 0.02267526 0.00195832 0.00434706 0.00467092 +H 6.91647269 5.98647913 6.91810999 0.00272451 0.00389423 -0.02754496 0.04841674 -0.06920430 -0.07803384 -0.00034459 -0.00856088 -0.01065964 +O 7.17676091 8.30756352 4.82981037 0.00445073 0.00121273 -0.00301601 0.02360927 -0.00056048 -0.01917674 0.00254331 -0.00133647 -0.00208783 +C 8.74249481 7.25439899 6.32628249 -0.00879209 -0.00412239 0.00844699 -0.06597426 -0.00736970 0.02963753 -0.00685557 0.00112396 0.00316572 +H 8.78012093 6.60185497 7.17349462 -0.01876211 -0.00463267 -0.01873983 -0.14268446 -0.07898262 0.05994722 -0.02000746 -0.00476819 0.00642837 +H 9.37885245 6.77023146 5.60580783 -0.01632055 0.01458579 0.00355566 -0.01370224 0.09114335 -0.03294166 0.00373656 0.01482262 0.00064519 +H 9.08051736 8.25725776 6.47066329 -0.00122440 0.00265513 0.03605736 0.01118152 -0.07762206 0.29779180 -0.00649841 -0.03384190 0.03646233 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99436742 5.83311348 5.75512874 0.00374296 -0.00383427 0.00369033 0.01832745 -0.02772664 0.02515028 0.00190307 -0.00499581 0.00507327 +C 2.34488926 5.97995261 5.96410490 -0.00428532 -0.00237624 -0.00498777 -0.01750482 0.00465638 0.00245580 -0.00064833 0.00387408 0.00585306 +H 0.58258387 6.24801191 4.96727736 0.01194041 -0.00554865 -0.01125692 0.17044320 -0.08838018 -0.02006712 0.01628067 -0.00467448 -0.02747547 +C 2.91672377 5.94452432 7.28948055 -0.01240722 0.00507495 0.01141250 -0.06440002 0.04328611 0.01066767 -0.00337679 0.00709193 -0.00736705 +H 2.71859545 6.33547440 3.86075779 0.01008640 -0.00693605 -0.00001406 0.05935742 0.04100392 0.00917134 -0.00727185 0.01645245 -0.02051354 +C 4.26674584 6.25139513 7.40903930 0.00497864 0.00035758 -0.01037561 0.00213744 -0.00351278 -0.03197385 -0.00802782 -0.00203221 0.00154620 +H 2.32191757 5.77405002 8.20674248 0.02504472 0.00990552 -0.01711407 -0.03555888 0.00090694 0.05993808 -0.02928594 -0.00591553 0.01906037 +C 5.04387601 6.49327734 6.25673968 -0.00752675 0.00187381 0.00350470 -0.00254262 0.02309049 0.01191435 0.00855174 0.00452749 -0.00131298 +H 4.68677524 6.34378396 8.40915374 -0.01149292 -0.01512253 0.01218855 -0.03306190 -0.11470834 -0.05235947 0.01159133 -0.01397785 -0.01141682 +C 4.50358293 6.44978125 4.97692439 0.00664239 -0.00120010 -0.00093853 0.03900139 0.00452675 0.01483356 0.00260273 0.00299718 0.00213145 +N 6.37417502 6.82833203 6.44550063 0.00020554 -0.00629436 -0.00358628 0.02835929 -0.05378788 -0.01626133 0.00620023 -0.00805899 -0.00300962 +C 3.16622992 6.36493838 4.87615564 0.00146426 0.00689485 0.00161974 -0.02884566 0.00991981 -0.00899872 -0.00542060 -0.00377691 -0.00170404 +H 5.09715344 6.59396665 4.10882518 -0.00005921 0.00015888 0.02752790 0.08889484 0.02420518 -0.02759339 0.00497130 0.00039101 -0.00860934 +C 7.36802651 7.21595051 5.59942241 0.00186807 0.00050442 -0.00043975 0.02787543 0.02028114 -0.00303403 0.00433416 0.00420712 -0.00035963 +H 6.79480703 6.60902028 7.36676079 0.00008497 -0.01733367 0.00300359 -0.10056915 -0.06100794 -0.02457693 -0.00868763 -0.00683902 0.01860266 +O 7.24588028 7.51124274 4.40904111 0.00244680 0.00245060 -0.00103802 0.00997019 0.01208901 -0.00302830 0.00068759 0.00126114 0.00022288 +C 8.81775890 7.46046896 6.16906383 -0.00227524 0.00112372 0.00051183 -0.02282901 -0.01037929 -0.00184219 -0.00420129 -0.00218500 -0.00208335 +H 9.55270644 6.79789079 5.72097894 0.01330398 -0.01547738 -0.01634009 -0.06931925 -0.01700163 -0.00219985 -0.02206749 0.00370867 0.01450423 +H 9.15208134 8.46539492 5.89481416 -0.00216383 -0.00810689 0.01066003 -0.02385128 0.01004709 0.04510142 -0.00478615 0.00559854 -0.00129974 +H 8.90195003 7.35672388 7.28508565 -0.01032423 0.02188516 -0.00457800 -0.09991938 0.10588725 -0.04134626 -0.01430834 0.00131520 0.01418630 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.91336059 5.78731817 5.84112037 0.00525255 -0.00186579 0.00282648 0.05578541 -0.00215058 0.01727895 0.00852572 -0.00135731 0.00189547 +C 2.26538079 6.16714460 5.83568790 0.00077914 0.00281787 -0.00482178 0.00148272 0.01775751 -0.02187980 0.00269095 -0.00206440 -0.00160554 +H 0.90932772 4.87321063 5.85719006 -0.00678857 0.00908139 -0.01427810 -0.10176643 -0.02609924 -0.10309472 -0.01179968 0.02807279 -0.01287092 +C 2.63613213 7.52214440 6.12999859 0.00305598 -0.00383854 -0.00026724 0.00416546 -0.03494769 0.01354882 -0.00038842 -0.00390753 0.00389787 +H 3.02957426 4.19670809 5.44908834 -0.00708547 -0.02078098 -0.02054166 -0.03705343 -0.02768083 -0.05771083 -0.00212726 0.00372470 0.00635315 +C 4.01029631 7.75673601 6.31396314 0.00116937 0.00808280 -0.00091832 0.01245001 0.06712624 -0.00133941 0.00295061 0.00828136 0.00079572 +H 1.91383668 8.24661849 6.41785368 -0.03572575 0.01147672 0.01539137 -0.02803527 -0.08876390 -0.04390096 0.02026968 -0.02704266 -0.02126504 +C 5.02987010 6.81627146 6.07047245 0.00632029 0.00604067 0.00408919 0.02236997 0.03089911 0.02522547 -0.00350629 0.00170516 0.00126986 +H 4.23864311 8.75563453 6.65755464 0.01871340 0.00200419 0.02220262 0.10691396 -0.00524911 0.09416621 0.00433331 0.00422347 0.00171664 +C 4.67265950 5.48702178 5.69567450 -0.00900364 -0.00221644 -0.00604274 -0.04518627 0.02809452 -0.02060912 -0.00048277 0.00808571 0.00118651 +N 6.33333945 7.31057482 6.34497626 -0.00062543 0.00067581 -0.00798867 -0.00670580 -0.00082793 -0.06437746 -0.00115941 -0.00046925 -0.00907932 +C 3.27984215 5.21273473 5.67594824 0.00190256 -0.00705832 0.00568823 -0.00340757 -0.06892425 0.01240065 -0.00507187 -0.00817287 -0.00231820 +H 5.41557306 4.77459127 5.45912986 -0.00574482 -0.00411754 0.02027790 -0.05349889 -0.07724742 0.12339681 -0.02327331 0.00444818 0.01149968 +C 7.49888191 6.86338019 5.79532794 -0.00124871 0.00193473 -0.00307796 -0.00428405 0.05482147 0.01149135 0.00076668 0.00780090 0.00253079 +H 6.37128563 8.20190454 6.84256911 -0.01920443 -0.00304342 0.02154925 -0.05428750 -0.13059912 0.06273588 0.00747838 -0.01310838 0.00552799 +O 7.65683509 5.88891361 5.14426311 -0.00344136 -0.00088080 0.00131755 -0.02503997 -0.02446855 -0.00385851 -0.00369660 -0.00368007 -0.00099372 +C 8.71148157 7.79019834 6.09668679 0.00075219 -0.00014911 0.00132931 0.00061422 -0.02534378 0.02445989 0.00133879 -0.00499819 0.00388062 +H 9.01658065 7.82572774 7.13877697 -0.00363908 -0.01654618 0.01839493 -0.15059663 -0.08038172 0.05023490 -0.03574239 -0.00143328 -0.00102995 +H 9.52044778 7.29661071 5.64844610 0.01595786 -0.00788252 0.02914826 0.14810348 0.03525307 0.07705910 -0.00468667 0.02725054 0.00428483 +H 8.58435031 8.78624521 5.76383967 -0.02095175 -0.00287921 0.00100696 -0.08404063 0.00683467 -0.03724176 0.00529470 -0.01985550 0.00279693 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98202737 5.63176747 5.63438005 0.00983188 0.00115707 -0.00091762 0.05312560 0.00200988 0.00118077 0.00507686 0.00010469 -0.00176538 +C 2.25947618 6.11504776 5.70626920 -0.00406680 0.00169186 0.00005025 -0.00001712 0.00375960 -0.00521075 0.00511064 0.00024884 -0.00184604 +H 0.67735769 5.18514247 6.44467877 -0.01305394 0.01697432 0.01855322 -0.02203859 0.20094449 0.00096690 -0.00945047 0.02219074 0.02333642 +C 2.88350985 6.58146763 4.54681389 0.00404360 0.00179745 -0.00184741 0.03301591 0.01319335 0.00200679 0.00600420 0.00134343 0.00376239 +H 2.58374358 5.57120694 7.78705346 -0.00596239 -0.00630709 0.00769064 -0.03033286 -0.00664146 -0.02406017 -0.01510214 -0.00451009 0.00314880 +C 4.23860883 6.98779892 4.64945044 0.00329638 0.00212067 -0.00324067 0.02549113 0.02650773 -0.01893595 0.00520739 0.00524960 -0.00228400 +H 2.30323365 6.66698973 3.59790515 0.01769416 -0.01932548 -0.00135170 0.13251681 -0.10892725 -0.01081905 0.00692365 -0.00791360 -0.01770561 +C 5.02819344 6.96159445 5.81723507 0.00575577 -0.00596638 0.01004605 0.02278107 -0.03977284 0.02590556 -0.00242492 -0.00447607 -0.00455350 +H 4.65609396 7.46090100 3.81107336 -0.00398309 -0.00116958 -0.00731934 0.02417121 -0.05368039 -0.12577719 0.00327417 -0.02169635 -0.00224780 +C 4.37530935 6.42750366 6.96690281 -0.00479499 -0.00415493 0.00466567 -0.01649388 -0.01620633 0.03062191 -0.00077778 -0.00152580 0.00472325 +N 6.38992979 7.40628056 5.62215411 -0.00364161 0.00383073 -0.00313811 -0.05000373 0.00616291 0.00904504 -0.00548587 -0.00201227 0.00609546 +C 3.04782581 5.98170547 6.87882393 -0.00950497 -0.00039768 -0.00147354 -0.07105046 -0.00161518 0.01079771 -0.00677916 0.00149684 0.00346110 +H 4.84786450 6.47736662 7.91471623 -0.00295440 -0.00705861 0.01083273 0.01420443 -0.13980894 0.04462905 -0.00039197 -0.02806390 -0.00998694 +C 7.49071695 6.94118573 6.19408071 -0.00419176 -0.00032177 0.00460941 -0.00914149 -0.01517463 0.04429271 -0.00089961 -0.00028312 0.00282599 +H 6.42737907 8.09640162 4.89403853 0.01684147 -0.01192660 0.00168852 0.16907149 -0.05393063 -0.05100815 0.01177563 -0.01762632 0.00022688 +O 7.52151434 6.10549765 7.16591690 0.00266314 0.00173249 -0.00057985 0.01265757 0.02644247 -0.02169687 0.00105927 0.00397882 -0.00333584 +C 8.82374806 7.47605483 5.63741214 -0.00251879 -0.00271526 -0.00774087 -0.04108218 -0.01222413 -0.05053729 -0.00894922 0.00035730 -0.00584095 +H 8.84513772 7.25750688 4.57113125 0.00002386 0.03768658 -0.03130813 0.06324321 0.18172830 -0.05960345 0.01113920 0.00721310 0.01154920 +H 8.68299652 8.53685680 5.74289582 -0.01201456 0.00517939 -0.00225447 0.06176893 0.00318992 0.01907873 0.02614422 -0.01251944 0.00950250 +H 9.70001385 7.11793343 6.19142184 -0.00154122 -0.01846496 0.01044360 -0.08867626 -0.06522195 -0.05746902 -0.01366928 -0.00265447 -0.02451647 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98026291 5.69708329 5.74966061 -0.00200296 -0.00190869 0.00529686 -0.00348062 -0.00261787 0.03555339 0.00142576 -0.00035416 0.00715587 +C 2.28222061 6.11998650 5.86501816 0.00283733 0.00003046 -0.00197571 0.03422952 0.00981312 -0.03505308 0.00513643 0.00251932 -0.00781219 +H 0.60497999 5.06405133 6.31546546 0.01366334 0.02931518 0.02039893 0.12038434 0.10598046 0.24782737 0.02975746 0.02873267 0.01415680 +C 2.72021034 7.15130625 4.98051223 0.00373690 0.00522493 -0.00848381 -0.00548592 0.02281746 -0.04992034 -0.00301390 -0.00050672 -0.00346405 +H 2.99697035 4.64718928 7.28880040 -0.02135852 -0.02460626 -0.03327233 -0.06274492 -0.10773146 -0.20831341 0.00769052 -0.00288535 -0.01690009 +C 4.06434285 7.54087797 4.90451414 0.00083608 -0.00262469 -0.00466859 0.00821022 -0.00788870 -0.03967357 -0.00042103 0.00022654 -0.00514035 +H 1.99144882 7.62179901 4.30686223 -0.02417456 0.01557192 -0.00486843 -0.01301312 0.03892552 0.06454011 0.00298897 0.00788239 0.00472642 +C 5.02454766 6.88133826 5.70682741 -0.00396715 0.00511337 0.00303254 -0.01247390 0.03806229 0.01404309 0.00034417 0.00369039 0.00158184 +H 4.38690453 8.27467394 4.15981396 -0.01660515 0.03075608 -0.00528015 -0.12926311 0.09559663 0.09801500 -0.00635157 0.00783820 0.01618925 +C 4.62439646 5.84902501 6.56883654 0.00164930 -0.00622663 0.00145674 0.00443065 -0.03310946 0.00035935 0.00228527 -0.00190227 -0.00120846 +N 6.35116499 7.30840617 5.54616922 -0.00048326 -0.00082032 -0.00019775 -0.00411019 -0.01226652 0.00052605 0.00026412 -0.00313957 0.00107739 +C 3.27566722 5.45757710 6.63603973 0.00625699 0.00135839 0.00235930 0.00609913 0.00185100 0.00968170 -0.00513241 -0.00141529 -0.00117670 +H 5.27410990 5.23710372 7.14446740 0.01132543 0.01324649 -0.01927115 0.14180199 0.02763738 -0.02597140 -0.00038533 -0.00150235 0.00110244 +C 7.45606101 6.93815703 6.16126085 0.00117767 -0.00825967 0.00885159 0.01839156 -0.02044749 0.03247379 0.00152447 0.00327650 -0.00171249 +H 6.56792760 7.90246209 4.72755295 0.00750088 -0.04793313 -0.00491683 0.00198853 -0.16962521 -0.08801939 -0.00508888 0.00302470 -0.02068834 +O 7.47334869 5.97517143 6.87384961 -0.00280336 0.00046178 -0.00018113 -0.00490355 -0.01869895 0.02476926 0.00209883 -0.00580425 0.00750117 +C 8.78111128 7.72905213 5.87892598 -0.00330959 0.00216922 -0.00456862 -0.04147225 0.00780181 -0.03584852 -0.00618609 0.00053526 -0.00086564 +H 9.58723311 7.54080037 6.53873429 -0.00419720 0.01060519 0.00152025 -0.04496195 0.00672586 0.04738987 -0.02406240 -0.00722860 -0.00819606 +H 9.10245461 7.33890182 4.86041210 0.00580846 0.03462316 -0.01089859 0.03775633 0.30385108 -0.00972676 0.00970713 0.03669813 -0.01863132 +H 8.58662857 8.81079135 5.84572554 0.00120523 0.01109021 0.02576085 -0.00390484 -0.01777212 0.14799090 -0.00877244 -0.00772949 0.01653952 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98025580 5.82544419 5.74116531 0.00269225 0.00360591 -0.00284939 0.02986861 0.02525489 -0.00531475 0.00493926 0.00316760 0.00144805 +C 2.33397601 6.11783064 5.78050176 0.00349635 0.00435720 -0.00665559 0.00037333 0.00254698 -0.02736271 0.00065838 -0.00269358 -0.00027246 +H 0.67972922 5.56373407 6.56572008 0.02108424 -0.00945587 0.01513425 0.11350922 -0.05374061 -0.00617142 0.00990767 -0.00512225 -0.01988895 +C 2.83117153 6.73675713 4.63679951 0.00156480 -0.00123527 -0.00348793 0.03791255 0.01540918 -0.04243334 0.00822700 0.00412725 -0.00683418 +H 2.71596207 5.38803329 7.87912381 -0.02900290 -0.01171743 -0.00111442 -0.08016299 -0.10624680 -0.18776044 0.00516221 -0.02421084 -0.01817386 +C 4.19571060 7.13989910 4.55850803 0.00542074 0.00259858 0.00194491 0.01631576 -0.00393910 0.04704632 -0.00105490 -0.00391078 0.01041195 +H 2.15989370 7.04112115 3.85022721 0.01464081 0.00120017 -0.03284504 0.12969436 -0.07859550 -0.12638980 0.01658679 -0.01920353 -0.00517249 +C 5.02999161 6.83347270 5.69331033 -0.00327764 -0.00442425 0.00612962 -0.01581163 -0.01765876 0.02856613 -0.00106710 -0.00075691 0.00335704 +H 4.55785264 7.73618421 3.69312933 -0.00798730 -0.01386067 0.00318900 0.00273426 -0.09821514 0.01270038 0.01612485 -0.00551021 -0.00582020 +C 4.49048700 6.12861660 6.83409118 -0.00234332 -0.00419200 0.00706856 -0.01078211 -0.01718902 0.03271239 0.00257042 0.00030063 0.00261751 +N 6.33511811 7.37918789 5.61513263 -0.00262561 -0.00059950 0.00447820 -0.03810207 -0.00580841 0.04455794 -0.00838386 0.00109908 0.00664045 +C 3.10822940 5.74018910 6.89537116 0.01134672 -0.00069077 0.00643219 0.05849957 0.02063187 0.02058616 0.00015712 0.00632838 -0.00542383 +H 5.08055459 5.95097332 7.73498536 -0.01782046 0.00328105 -0.00766350 0.01058125 -0.00744880 0.03200702 0.01675225 -0.00639392 0.01255070 +C 7.45998855 6.95889341 6.21050863 -0.00995513 0.00539264 0.00383052 -0.05322671 0.02982213 0.01823468 -0.00273758 0.00157532 0.00191653 +H 6.41427822 8.26728666 5.17885855 0.00356216 -0.00831950 0.01050805 0.01161449 -0.02809340 -0.05513393 -0.00574414 -0.01891287 -0.01419091 +O 7.50439745 5.97844599 6.93447907 0.00037768 0.00238966 -0.00501867 0.00086264 0.01145151 -0.02735037 -0.00047706 0.00076223 -0.00248606 +C 8.75294256 7.68292058 5.85607068 -0.00318025 -0.00610308 -0.00519366 -0.01513211 -0.05022519 -0.03643806 -0.00307426 -0.00637583 -0.00749469 +H 9.37017741 6.90234964 5.43726188 0.00066503 0.00934539 -0.02831639 0.01300046 0.03597652 -0.17753774 -0.00145115 0.00484924 -0.01366422 +H 8.82215547 8.46954980 5.12342125 -0.02264133 -0.01302575 -0.00115766 -0.28581979 -0.00586781 -0.02377647 -0.04851884 -0.00212900 0.00769270 +H 9.32840138 7.96409556 6.75608683 -0.01134987 0.00692262 -0.01505520 -0.08971474 0.08582537 -0.05613612 -0.00698204 0.01573427 0.00138804 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97660227 5.75317713 5.79084288 0.00015883 -0.00208522 -0.00142767 0.01842728 -0.01439408 0.00331187 0.00207548 -0.00306540 0.00006838 +C 2.35487971 5.98793499 5.92314117 -0.00432352 0.00657365 0.00193890 -0.05690194 0.04153255 0.04068193 -0.00763478 0.00548264 0.00722565 +H 0.75868374 5.55418486 4.91628442 -0.00643380 -0.01257847 0.02318538 -0.08063467 -0.09645288 0.00683820 0.00250000 -0.00174570 0.02178633 +C 2.95982094 5.90210411 7.20685108 0.00704785 -0.00085212 -0.00179154 0.02337579 -0.01845167 -0.00088426 0.00080307 -0.00217667 -0.00316142 +H 2.66922791 6.43834831 3.84488284 0.00599522 0.00571511 -0.02358905 0.01861557 0.07344020 0.00483938 -0.01149744 0.01259016 0.00696876 +C 4.31373157 6.21403866 7.46257641 -0.00420888 0.00671853 -0.00624759 -0.01436217 0.05317444 -0.06542229 0.00214968 0.00813320 -0.01058570 +H 2.34516745 5.51509881 8.10832659 0.02298123 -0.01129717 0.00087774 0.14980740 -0.01217303 -0.07755698 -0.01345606 -0.01424367 0.02838447 +C 5.03056537 6.65006320 6.28499673 0.00892963 -0.00487032 0.00577926 0.06483705 -0.03076305 0.02313548 0.00503674 -0.00364913 -0.00501992 +H 4.67807104 6.10201819 8.48232217 0.02338945 0.01489549 -0.00684566 0.13041857 0.13854720 -0.15048912 0.00746636 0.01891947 -0.02206477 +C 4.44377383 6.61451763 5.01759539 -0.00618910 -0.00299583 -0.00516811 -0.01390884 0.01233377 -0.03080131 0.00152582 0.00457967 0.00248277 +N 6.38086221 7.07893367 6.44595480 0.00372386 -0.00399528 0.00007579 0.01765851 -0.05158965 0.01320051 0.00426604 -0.00986129 0.00742561 +C 3.08431336 6.40736476 4.84922908 -0.00500491 0.00060009 0.00144954 -0.02929169 -0.00745680 -0.02336660 -0.00297398 -0.00232170 -0.00469605 +H 5.00944251 6.98912127 4.12485925 0.00711504 0.01649117 -0.01086023 -0.06976048 -0.02666311 0.03221558 -0.00134593 -0.00757953 -0.01764260 +C 7.40566916 7.18733534 5.57586297 -0.00060494 -0.00181061 0.00338734 0.00338103 0.00175797 0.03821840 0.00088563 0.00228833 0.00277078 +H 6.61839930 7.03848514 7.38544451 0.01459570 -0.00216725 -0.01009817 0.15506425 0.03139303 0.02894875 0.00885098 0.00759373 -0.01583413 +O 7.30752679 7.27329945 4.39806877 -0.00293460 0.00069625 0.00052538 -0.02423299 0.00035246 -0.01546844 -0.00369318 -0.00068010 -0.00283058 +C 8.79518483 7.37385485 6.19230907 -0.00162982 0.00037215 -0.00010448 -0.01053281 0.01554381 0.00076923 -0.00256811 0.00334026 0.00554461 +H 9.50883085 7.62233032 5.34365629 0.01600254 -0.00028094 0.00380296 0.04250218 -0.03893189 0.15052209 0.01844859 -0.00363818 0.00943656 +H 8.74163919 8.21689592 6.84081818 -0.00868263 0.00343481 0.01811949 -0.01400820 -0.00610189 0.06191032 0.00384728 -0.00942337 -0.01247791 +H 9.16514518 6.50271789 6.71285587 -0.01135241 0.01883936 0.02769183 -0.08721275 0.07034688 0.16283090 -0.01534114 0.00720947 0.00691272 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96090196 5.77369890 5.80666664 -0.00516728 -0.00202588 0.00191158 -0.01766940 -0.00661162 0.00238765 0.00150783 -0.00037629 0.00046065 +C 2.32353887 5.99014600 5.93345022 0.00484536 -0.00291468 0.00671201 -0.00572111 -0.00560248 0.02083914 -0.00630165 0.00087499 -0.00148643 +H 0.57016149 6.12655217 5.02387753 0.01173263 0.00281965 -0.03265875 0.13999777 -0.06185918 -0.04380690 0.01296000 -0.00995070 -0.00794550 +C 2.98019977 5.57822763 7.07718772 -0.00457902 -0.00382843 0.00248187 0.00269313 -0.03394477 0.01589966 0.00426574 -0.00619627 0.00484226 +H 2.56202186 6.92495681 4.02916227 0.02275284 -0.01150027 -0.01939931 0.13666645 -0.03256525 -0.09047142 0.01305143 -0.00292680 0.00708571 +C 4.36828634 5.74274327 7.15282600 -0.00025433 0.00451155 -0.00045327 -0.00065564 0.02891358 0.02251153 -0.00029536 0.00305601 0.00673754 +H 2.51767195 4.96855320 7.80737823 0.02484503 0.01828883 0.01030741 -0.01460714 0.06767643 0.16624446 -0.01502951 0.01419746 0.00816183 +C 5.13794090 6.52707563 6.25680411 -0.00197020 -0.00631379 -0.00111963 -0.02419130 -0.05542635 0.00008951 -0.00470119 -0.00562862 -0.00360661 +H 4.79914915 5.23386869 8.02877721 0.01391290 0.01994638 -0.01297657 0.15263183 0.17412624 -0.01931594 0.02381837 0.02051213 0.01863118 +C 4.46804276 6.84668345 5.09404032 0.00124151 0.01558624 -0.00105622 -0.02235129 0.11326435 -0.01415745 -0.00693482 0.01303195 0.00120079 +N 6.48274515 6.75839512 6.57061470 -0.00865267 -0.00166003 -0.00563635 -0.02717569 -0.00777420 -0.06043073 -0.00003211 -0.00075871 -0.01146084 +C 3.06012809 6.66284863 4.93261023 0.00261761 -0.00286694 -0.00204413 0.02608446 -0.03190470 -0.01226951 0.00352835 -0.00524761 -0.00253656 +H 4.96278095 7.36754700 4.24404176 -0.00063661 0.00063724 0.01330051 -0.01112972 0.06142078 0.00363193 0.00488901 0.02802876 -0.02472343 +C 7.35986885 7.31932549 5.67626595 0.00581351 -0.00128850 -0.00047258 0.03350018 -0.01484708 0.00333749 0.00191170 -0.00267980 -0.00003941 +H 6.94552770 6.39669168 7.40625523 -0.00562101 -0.00662956 0.01291439 -0.19724375 0.01711182 -0.02579915 -0.02969646 0.00407509 0.00047890 +O 7.10293159 7.75594195 4.55939451 -0.00077384 0.00182826 -0.00070031 -0.00133455 0.01144488 -0.00018605 0.00104542 0.00116717 0.00124760 +C 8.83429027 7.41937091 6.06701381 0.00424561 -0.00444017 0.00216323 0.01579312 -0.01915317 0.03139658 0.00217593 -0.00471367 0.00741091 +H 8.93724765 7.37877292 7.12580935 0.01389334 0.01101930 0.00854617 0.07756114 0.08575232 0.05666670 0.00432495 0.01015172 -0.00733186 +H 9.38215875 6.60303284 5.68535168 0.01479574 0.00895170 0.00729207 0.15309006 0.02558813 -0.04590312 0.00594325 0.01967739 -0.00438397 +H 9.17721454 8.43566702 5.70541452 -0.02365377 0.00119657 -0.00224119 -0.05740719 -0.08310512 -0.00251566 0.01533944 0.00362859 -0.00704222 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99010904 5.57742011 5.86314870 -0.00134279 -0.00181314 -0.00686817 -0.00159220 -0.00344659 -0.03439699 0.00262180 0.00050882 -0.00502449 +C 2.32637462 5.94222612 5.79396950 0.00359200 0.00339321 0.00378755 0.00544045 0.01992800 0.02011064 -0.00230932 0.00135739 0.00050449 +H 0.48929703 5.84203277 6.63995821 -0.02154680 -0.02795251 0.01510262 0.01207817 -0.20105785 -0.03434642 0.00247785 -0.02074899 0.01258196 +C 3.08684312 5.42905680 4.75530922 -0.00139326 0.00120759 0.00191322 -0.00027249 0.00722050 0.00770842 -0.00040378 -0.00031206 0.00127574 +H 2.46406507 7.20358572 7.56977065 0.01885289 0.00188742 -0.02160124 -0.01671816 0.03315662 0.00492628 -0.01332893 0.00003022 0.01145603 +C 4.47163913 5.71196426 4.62222715 -0.00708981 -0.00296284 0.00223666 -0.04220210 -0.00830940 0.02729544 -0.00409813 0.00124927 0.00494939 +H 2.57848328 4.81454726 4.00688747 0.02027012 -0.00597250 0.03223466 0.07151130 -0.16578909 0.10756262 -0.00014388 -0.02983708 0.00010559 +C 5.08965964 6.59074671 5.54849317 -0.00640990 0.00430506 0.00016310 -0.03632718 0.02340432 -0.00203795 -0.00220374 0.00194374 -0.00144999 +H 5.10830900 5.21278474 3.89532219 -0.01164298 -0.01002665 0.00288506 -0.14895641 -0.04120596 -0.01931054 -0.02154014 -0.00247693 -0.00718981 +C 4.32786003 7.15660725 6.59238645 -0.00291148 0.00463064 0.00203895 -0.02067539 0.00121114 0.01716089 -0.00046228 -0.00391025 0.00301720 +N 6.46184697 6.69283541 5.48011040 -0.00157030 0.00064529 -0.00860326 0.00662484 0.00295306 -0.04578114 0.00314341 -0.00085761 -0.00456659 +C 2.97013416 6.80059140 6.71188813 0.00612851 -0.00121806 0.00110596 0.02670501 -0.00198325 0.00905705 -0.00151478 0.00148390 0.00340496 +H 4.74077968 7.58664329 7.49735394 -0.00640730 -0.04598190 0.01212273 0.05381879 -0.08882855 0.03173791 0.01465241 0.02114770 -0.00739060 +C 7.39338494 7.32318308 6.23975314 0.00303757 -0.00568370 0.00689363 0.00276811 -0.02851137 0.03812777 -0.00086358 -0.00393855 0.00015675 +H 6.84317082 6.08789383 4.81773495 -0.01505440 -0.00809932 -0.00377174 -0.02005908 -0.02999305 -0.10335881 0.00023178 0.02066465 -0.00257744 +O 7.09742728 8.02238873 7.21499774 0.00100433 0.00219320 -0.00544617 0.00631266 0.01538239 -0.03386381 0.00034983 0.00267383 -0.00314315 +C 8.85491793 7.21559243 5.88087244 0.00892486 0.00151208 0.00161428 0.05227810 0.00163257 -0.00006681 0.00510303 -0.00281069 -0.00057875 +H 8.94940657 7.46003456 4.84380227 0.00428949 0.02605137 0.01169349 0.05841528 0.22429447 0.02516371 0.01531337 0.02905184 0.01529841 +H 9.62238084 7.82935982 6.36742074 -0.01164170 -0.00523863 0.03770184 -0.15121402 -0.06680061 0.30324956 -0.02737029 -0.01632974 0.03470357 +H 9.09077125 6.20276813 5.88815813 0.00385790 -0.00143712 -0.00673909 0.12052991 -0.06813583 0.00560921 0.01932274 0.01873112 0.00169920 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95559510 5.77164836 5.87540916 0.00156283 -0.00572841 0.00191467 0.02230242 -0.04295141 0.02872941 0.00538871 -0.00663960 0.00702926 +C 2.32689832 5.98640422 6.00915376 0.00134310 0.00219446 0.00567997 0.00260431 0.00541600 -0.00319149 -0.00172662 -0.00025576 -0.00697561 +H 0.47509473 5.95164882 5.03992474 0.00020870 -0.02081343 0.00317478 0.10769728 -0.11220790 -0.00171702 0.01652240 -0.00825033 -0.02222115 +C 3.10016103 5.53240292 7.12379308 -0.00395931 0.00394578 0.00190853 -0.05051557 0.04234628 0.00977207 -0.00816062 0.00853463 0.00013366 +H 2.47629995 6.83148784 4.01424159 0.02138753 -0.00762075 -0.00103811 0.05401664 -0.05968932 -0.12470984 -0.00104044 -0.01067471 -0.01438067 +C 4.42837860 5.87192426 7.16998185 -0.00760238 0.00479079 -0.00438033 -0.02409763 0.04522674 -0.03785832 0.00012180 0.00524586 -0.00193937 +H 2.70467659 5.06894638 8.02453245 0.00990775 -0.00053622 0.00817120 -0.04652276 -0.01785625 -0.03610703 -0.02499493 -0.00545823 -0.01201720 +C 5.10226949 6.58018064 6.12610283 0.00181451 0.00642468 -0.00389075 -0.01128763 0.01738862 0.00398340 -0.00346614 -0.00124077 0.00455360 +H 4.97615926 5.65782473 8.04289887 -0.02430938 -0.01380868 -0.01746337 -0.07214352 -0.14017510 0.00414216 -0.00590068 -0.00967157 -0.01041011 +C 4.35327298 6.89851487 4.95124367 -0.00908237 -0.00294734 0.00307017 -0.00406200 -0.01351221 0.02024153 0.00804208 0.00135641 0.00017648 +N 6.45047675 6.79581010 6.41391822 0.00430236 -0.00850305 -0.00100392 0.02100614 -0.04376102 -0.03027544 0.00105895 -0.00446492 -0.00576857 +C 3.02333087 6.52055266 4.88194635 0.00364125 0.00337026 -0.00674413 -0.01493239 0.02349868 -0.01497518 -0.00788639 0.00287212 0.00138211 +H 4.83667334 7.31227195 4.13944888 0.00964669 0.01670491 -0.00015801 -0.02364196 0.10143419 0.01698471 -0.02410445 -0.00342168 0.02192624 +C 7.41105096 7.31839866 5.64508428 -0.00400101 0.01193932 -0.00066567 -0.03021688 0.06082403 0.01419099 -0.00134011 0.00367812 0.00630891 +H 6.75466054 6.60769684 7.34575093 0.01481223 -0.02200348 -0.01836675 0.08685647 -0.22912349 -0.07266264 0.00146142 -0.03405796 -0.02223151 +O 7.19346932 7.84971948 4.54563122 0.00032291 -0.00365072 0.00399503 0.00914112 -0.02068537 0.02006050 0.00168889 -0.00128664 0.00043500 +C 8.75199922 7.23857388 6.31316134 0.00771172 -0.00343283 -0.00064292 0.04515421 -0.00880342 -0.01383163 0.00244131 0.00340840 -0.00195789 +H 9.01741642 6.18363401 6.58004011 0.00368634 -0.00614763 0.00255046 0.02519242 0.03557167 -0.01315014 0.00821113 -0.00458804 -0.00303967 +H 9.50056742 7.67211850 5.63106075 0.01359291 0.00753107 0.00364446 0.08309382 0.01774129 0.09135606 0.01565195 0.00122602 0.01302327 +H 8.62195249 7.83635557 7.18128622 -0.01788948 0.00051219 0.00714038 0.03535456 -0.03163460 0.04036657 0.02982906 -0.01845218 -0.00900400 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99462873 5.59399507 5.88769194 0.00165968 -0.00277157 -0.00229168 0.03253885 -0.00437459 -0.02582549 0.00683400 0.00109552 -0.00386938 +C 2.34858158 6.01160207 5.98386911 0.00142797 0.00543535 -0.00069087 -0.02392208 0.01452275 0.00003771 -0.00710333 -0.00144653 0.00049847 +H 0.60384110 5.66345069 5.04604969 -0.00428831 -0.00269387 -0.02225630 0.05619674 -0.00823714 -0.01716914 0.01294867 0.00174286 0.00063083 +C 3.02192134 5.63732440 7.16229432 0.00258653 -0.00262059 -0.00265006 0.01413373 -0.00448489 -0.04537630 -0.00032448 0.00041002 -0.00653996 +H 2.39856230 7.00322632 4.12145925 -0.01720041 -0.00197091 0.02354190 -0.04076775 0.05117244 0.00429194 0.00843694 0.01143508 -0.01702388 +C 4.40562801 5.92505274 7.17540938 -0.00610592 0.00281901 -0.00148220 -0.03684672 0.01151862 0.01416086 -0.00062982 0.00178174 0.00396030 +H 2.43964015 5.11620360 7.89045527 0.01512035 0.01542450 0.00806745 0.13941091 0.09055889 0.13959731 0.02442874 0.01562943 0.00703877 +C 5.08696738 6.47382382 6.09964759 0.00581588 -0.00436259 0.00238690 0.03626814 -0.03292802 0.01342302 0.00200131 -0.00417669 0.00034120 +H 4.91377036 5.68000500 8.10701961 0.00072126 0.03994404 -0.01124227 0.04239564 0.17189057 -0.00638174 0.00309792 0.00328613 0.01427706 +C 4.44059686 6.88071474 4.96385090 0.00064920 0.00082677 0.00359792 -0.03673047 0.01618870 0.01838975 -0.00974261 0.00230531 0.00242471 +N 6.43485527 6.48552428 6.21369092 0.00338251 -0.00160132 0.00366779 0.04938378 0.02048030 0.01338495 0.01159427 0.00556354 0.00154576 +C 3.03881788 6.69872853 4.93739507 -0.00603316 0.00153597 0.00042433 -0.04929320 0.00100331 0.00958899 -0.00718272 -0.00004097 0.00140186 +H 4.91737590 7.46003030 4.16981267 -0.00840763 -0.01034053 0.00519886 0.00345083 -0.11057623 -0.03738640 0.00595434 -0.01557110 -0.01418402 +C 7.32915557 7.36673214 5.68484864 0.00798988 0.00555206 -0.00683165 0.06653728 -0.00773671 -0.02791545 0.00784417 -0.00796958 -0.00016204 +H 6.77821166 5.78578019 6.81785064 -0.00503565 0.00132776 -0.00384326 0.06661982 0.01089834 0.06457872 0.01391064 0.02270529 0.00319701 +O 7.21610800 8.14047392 4.73932145 -0.00779653 -0.00249177 0.00185669 -0.06690947 -0.00767591 0.00800884 -0.01034547 0.00056617 0.00015384 +C 8.75503980 7.22611845 6.22974625 0.00203816 -0.00297863 0.00376520 0.01428345 -0.01054673 0.02215000 0.00217028 -0.00382644 0.00189343 +H 9.54712607 7.24505609 5.49696235 -0.00366863 0.00077897 -0.01685508 -0.09574787 0.01036827 -0.09480723 -0.02059677 -0.00242696 -0.00059359 +H 8.92127686 8.08119987 6.91086759 0.00229004 0.01067368 -0.00256627 0.03704364 -0.02101805 -0.02133153 0.01050679 -0.00659764 0.00773760 +H 8.92486566 6.34873252 6.75456554 -0.02884686 -0.02131679 -0.00646757 -0.16377687 -0.13987721 0.01227098 -0.00955282 0.02057703 -0.00907976 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.89059829 5.77636919 5.86898943 0.00061159 -0.00055474 -0.00139271 0.00340185 -0.01209123 -0.01349667 -0.00013309 0.00028240 -0.00241291 +C 2.22633170 6.13208691 5.81925925 -0.00739056 0.00204889 0.00044355 -0.03312781 0.00983905 0.01307585 -0.00162327 0.00201522 0.00265443 +H 0.73989807 4.81677568 5.81270290 -0.02006133 -0.01523187 0.00129596 -0.07716348 0.05147068 0.03660116 -0.00745653 -0.02002111 0.00735452 +C 2.59968299 7.43038936 5.52537264 -0.00526960 0.00822680 -0.00132327 -0.05062969 0.04056123 -0.01173431 -0.00873646 0.00382767 -0.00245470 +H 2.89977822 4.31510342 6.53906130 -0.00620493 0.00767511 -0.01551128 0.06198557 -0.12072017 -0.09847120 0.02340205 -0.01111844 -0.02051033 +C 3.93390035 7.84265964 5.55630138 -0.00995208 -0.00025133 0.00296531 -0.02050242 0.00673942 0.02612490 0.00330555 0.00369494 0.00291927 +H 1.74622571 8.04806450 5.31764903 0.02102630 -0.00956334 -0.02566121 0.06204677 0.16736407 -0.21572279 0.00799870 0.03296469 -0.02235435 +C 5.00056235 6.95078960 5.88833290 0.00364322 0.00267316 0.00040591 0.00898433 0.03402324 -0.00261250 -0.00235043 0.00189882 0.00068931 +H 4.23161654 8.85776485 5.41614798 0.00038666 -0.01031290 -0.01881331 -0.08573078 0.00440805 -0.16890609 -0.02250443 -0.00050436 -0.02066363 +C 4.60490412 5.66260383 6.13488818 -0.00223166 -0.00252542 0.01014532 0.01228829 -0.03560909 0.07890660 0.00208186 -0.00316325 0.01023261 +N 6.36260021 7.43468942 5.98517358 -0.00056182 -0.00385609 0.00095118 -0.00599390 -0.03285496 0.01086473 -0.00056323 -0.00450651 0.00202200 +C 3.25797786 5.24649268 6.19744783 -0.00334494 -0.00213682 -0.00469129 -0.03707679 -0.00572894 -0.03751559 -0.00518284 -0.00225294 -0.00445203 +H 5.46360438 5.02365416 6.37709407 0.01481461 -0.00528175 0.00879841 -0.10531153 -0.10472356 0.08693191 -0.02059780 -0.03339995 0.02037428 +C 7.56910275 6.80689128 5.95816633 0.00210620 -0.00315287 0.00328214 0.01149569 -0.00383713 0.01593230 0.00223845 0.00137033 0.00092890 +H 6.51975900 8.40348836 6.20810754 0.01185737 -0.00376548 0.01561482 -0.04741419 -0.03541678 0.01186479 -0.02161406 -0.00252215 -0.01109272 +O 7.76788794 5.59581924 5.86951731 0.01198673 0.00055864 -0.00104113 0.07578633 0.00423042 -0.00816992 0.00920961 0.00079724 -0.00118118 +C 8.76361855 7.76882460 6.04737329 0.00541309 0.00093568 -0.00555125 0.02629558 0.00336190 -0.01994763 0.00341433 -0.00264363 -0.00066161 +H 8.64095357 8.65193703 6.71686464 -0.01023984 -0.00334629 0.01180004 -0.10592367 -0.08249692 -0.03371233 -0.01697728 -0.00101750 -0.00563879 +H 9.47604366 7.19579604 6.58698206 0.00762095 0.01151559 -0.02106293 0.19881312 0.02618866 -0.12366102 0.02344627 0.01136615 -0.02421853 +H 9.20794641 8.06773393 5.08918725 -0.00847390 0.01250620 0.00131349 -0.09455502 0.08720578 -0.04351594 -0.02027768 0.01317294 -0.01174577 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04764637 5.69669351 5.82873651 0.00200211 -0.00510154 -0.00042057 0.00018222 -0.04062260 -0.00338022 -0.00202144 -0.00441155 0.00018635 +C 2.31428985 6.15080680 5.90582716 -0.00377734 0.00092420 -0.00853537 -0.01552773 -0.00859579 -0.05801952 -0.00038027 0.00081908 -0.00544157 +H 0.96997237 4.79062940 5.46226182 -0.00785860 -0.01006358 0.00369242 -0.03217679 -0.01740928 0.04155217 -0.00306742 -0.02896387 -0.00524172 +C 2.58507093 7.31700274 6.52621347 -0.00395780 0.00453058 -0.00478505 -0.00997938 0.06554647 -0.02317736 0.00361750 0.00653463 -0.00557196 +H 3.09565331 4.42082345 4.87962217 -0.00803428 0.02302159 0.01269359 -0.02508640 0.03689643 0.04296974 0.00066229 -0.02267536 -0.00449716 +C 3.91975401 7.75575958 6.52002740 0.00249014 -0.00258488 0.00606582 0.02838772 -0.02131726 0.04287021 0.00455338 0.00017317 0.00666846 +H 1.86301026 8.05544122 7.02967068 -0.01463599 0.00517908 0.00568591 -0.07243311 -0.16736493 -0.08001551 -0.03812469 -0.00661715 -0.00194897 +C 4.99817957 6.99352718 5.95076271 0.00197345 0.00262082 0.00439789 0.00081441 0.00328475 0.03098962 -0.00207527 -0.00268258 0.00398951 +H 4.14608658 8.63751270 7.08303959 0.00631609 -0.00634570 -0.02288868 0.05516448 0.08875938 -0.09720824 0.00497800 0.01085480 -0.00680209 +C 4.71448845 5.76984570 5.30295954 -0.00577381 -0.00354002 -0.00080152 -0.04058949 0.01080192 0.01803524 -0.00308242 0.00699050 0.00609435 +N 6.29307226 7.49322598 6.08945672 0.00103681 -0.00654147 0.00149825 0.00459190 -0.02092270 0.00917772 0.00294859 -0.00149902 0.00050667 +C 3.36852528 5.36825949 5.36412484 0.00171850 0.00504956 0.00691224 -0.01139256 0.01621638 0.02523618 -0.00515219 -0.00120691 -0.00039179 +H 5.43910507 5.16287575 4.78814181 0.00594446 0.01637201 0.01158514 0.02938874 0.02905522 0.06050809 -0.01107372 -0.00554583 0.00732330 +C 7.45226554 6.86630117 5.88265739 0.00067011 0.00324368 0.00362477 0.02633734 -0.06479560 0.01950244 0.00510069 -0.01453611 0.00206325 +H 6.26180376 8.45114730 6.37265414 0.02657654 0.02318796 -0.00739801 0.22531011 -0.03616932 -0.10988749 0.02459453 -0.01712531 -0.01748501 +O 7.58744658 5.55831349 5.75971538 -0.00115238 -0.00228311 -0.00392155 -0.01240644 0.04146852 -0.02247697 -0.00167368 0.01028541 -0.00268696 +C 8.71525987 7.70484258 5.84396807 0.00301905 -0.00064225 -0.00301374 0.02385039 0.02186529 -0.01587914 0.00472090 0.00267414 -0.00220557 +H 8.76195047 8.46826410 6.64727751 -0.01579337 0.01723605 0.00122084 -0.12302364 0.01391099 -0.08229883 -0.01313445 0.00112579 -0.00577874 +H 9.64134304 7.21961429 5.86722504 0.01695301 0.01984725 -0.00979495 0.08492585 -0.02296914 0.01075381 -0.02075887 -0.00454250 0.01200235 +H 8.78342080 8.19669171 4.86134279 0.00598296 0.00526319 0.00724775 -0.03450564 0.07846866 0.02514260 -0.01341225 0.01579463 -0.00694035 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96687073 5.86407688 5.60121989 -0.00194028 -0.00149777 0.00022071 -0.01481970 -0.02387445 0.01513209 -0.00192397 -0.00405138 0.00393425 +C 2.25476155 6.15289941 5.94490179 -0.01066093 0.00926679 0.00249174 -0.01873746 0.03461374 -0.00328948 0.00600244 -0.00053702 -0.00381886 +H 0.82569572 4.94985693 5.68842400 0.01154288 -0.01971161 0.04152449 0.02691403 0.02815094 0.20991081 -0.00770159 0.01116154 0.02170798 +C 2.63903857 7.47254078 6.17002750 0.00013413 0.00454622 -0.00423587 0.00010972 0.02576555 -0.03077931 -0.00056575 0.00331063 -0.00486650 +H 2.94115775 4.12447265 5.63257857 -0.01215221 -0.01366383 -0.00985030 0.08882826 0.11951829 -0.05381204 0.02001413 0.00455220 -0.01181961 +C 4.01443570 7.78930946 6.18046622 0.00305366 -0.00269758 -0.00032769 -0.02505247 0.01428034 0.00183311 -0.00631728 0.00496888 0.00113228 +H 1.83767765 8.21822002 6.27835615 0.01204317 0.00400043 -0.02012649 0.09174807 0.09866388 -0.13199698 0.00415020 0.02528948 -0.01341822 +C 5.00941524 6.88746784 5.97206563 -0.00343670 -0.00422034 0.00322570 0.00752433 -0.07655209 0.02031818 0.00373419 -0.01187976 0.00309621 +H 4.14837440 8.84220133 6.25424279 -0.01790678 -0.00238346 0.01932780 0.05384562 0.01254123 0.13574285 0.02739996 -0.00599679 0.01231312 +C 4.68878409 5.47051002 5.85164408 0.00370798 -0.00740082 0.00070206 0.01446592 -0.00677550 0.00103777 -0.00108304 0.00334417 -0.00030000 +N 6.29553759 7.41354099 5.93503445 -0.00101893 -0.00695872 -0.00093363 -0.02280327 -0.02403127 0.00680524 -0.00555283 -0.00124916 0.00259776 +C 3.29301706 5.16402987 5.80336170 0.00868887 0.00844205 -0.00289254 0.01376919 0.03952973 -0.01645644 -0.00422161 0.00664240 -0.00110973 +H 5.48859320 4.73670567 5.68217070 0.00177903 -0.00933077 0.00205327 -0.06673574 -0.06716746 0.04116011 -0.00906728 -0.01234803 0.00643814 +C 7.50801602 6.86175635 5.89289874 -0.00253363 -0.00052150 -0.00313065 -0.01743336 0.00256162 -0.02763337 -0.00033749 0.00020725 -0.00422975 +H 6.30251473 8.38263144 6.08704136 -0.02628977 0.02462879 0.00485675 -0.08896418 -0.03706259 -0.03398847 0.00284149 -0.02424207 -0.01211409 +O 7.70627806 5.68270175 5.74267074 0.00529959 -0.00156431 -0.00213641 0.03968464 -0.02075326 -0.01428250 0.00551558 -0.00326373 -0.00192682 +C 8.64894570 7.83346193 5.94217312 0.00302404 0.00352423 0.00496280 0.01108901 0.02918866 0.03799240 0.00182123 0.00460128 0.00393377 +H 9.38252739 7.40767171 6.57795697 -0.00394616 0.01437231 -0.01619777 0.13169980 0.03040407 0.03144444 0.01269400 0.01012948 0.00748470 +H 9.08010277 7.91875378 4.98706678 -0.01190037 0.00266068 0.01815339 -0.00127249 0.05697340 -0.06150183 -0.00347537 0.00995903 0.00189505 +H 8.46197833 8.80534693 6.34149850 -0.01589276 0.01437991 -0.00584133 -0.14387480 0.05418009 -0.04271535 -0.01517475 -0.01203620 -0.00701588 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.09630900 5.56312833 5.88332350 -0.00043734 0.00653933 0.00016729 -0.02505714 0.03821296 0.00524850 -0.00644980 0.00548167 -0.00001002 +C 2.33044404 5.97835954 5.95587042 0.00316584 -0.00427865 0.00057140 0.04896713 -0.02688756 -0.01930121 0.00681084 -0.00392981 -0.00601581 +H 0.61101343 6.00071969 5.20585670 0.00816359 -0.00472461 0.01887341 -0.05097586 0.05135041 -0.01736113 -0.00245142 0.00301640 0.00271157 +C 3.06957560 5.36324159 6.97923704 0.00764796 -0.00410913 -0.00545221 0.06842446 0.00078484 -0.05223609 0.01119067 0.00265394 -0.00684063 +H 2.22562387 7.28208024 4.30212234 -0.03044961 -0.00295986 -0.00687656 -0.00881456 -0.01569662 -0.08126945 0.03739709 -0.01199130 0.00287644 +C 4.44224627 5.75679576 7.02164890 0.00620541 0.00595990 0.00191564 0.03123992 0.01279133 0.04961028 0.00436859 -0.00222624 0.01156426 +H 2.54113207 4.70965786 7.65020233 -0.01012557 0.00750992 -0.00345080 0.09280906 0.00837217 -0.01317272 0.03664501 -0.00197812 -0.00656352 +C 5.05085121 6.73086835 6.21776294 -0.00362479 -0.00288158 -0.00298379 -0.02508601 -0.03031473 -0.02745744 -0.00185146 -0.00476125 -0.00382105 +H 4.96642707 5.31075131 7.80096298 0.02569441 0.00150028 0.01059592 0.15724704 0.04907129 0.02753024 0.00159099 0.01744940 -0.01309722 +C 4.26252550 7.23659123 5.14765802 -0.00267800 0.00056601 0.00321546 -0.02941547 0.02444316 0.01651155 -0.00642188 0.00442447 0.00085461 +N 6.37840932 7.02601266 6.50908952 -0.00248930 -0.00382051 -0.00293891 -0.01291416 -0.01383451 -0.02994104 -0.00179355 -0.00030118 -0.00535474 +C 2.91429409 6.84861117 4.95471201 -0.00455760 0.00171232 -0.00194834 -0.04487618 -0.00115699 0.02856556 -0.00671627 0.00041826 0.00716065 +H 4.57062361 8.14477451 4.61423920 -0.00036486 -0.01200713 -0.00715722 0.10250647 -0.15971794 -0.12737105 0.02557821 -0.02219382 -0.02862368 +C 7.38311831 7.30831884 5.66824887 -0.00129452 0.00420308 -0.00336808 0.00129427 0.00753288 -0.00055383 0.00141924 -0.00245378 0.00355813 +H 6.72373135 6.87108912 7.44939560 -0.00099277 0.00102398 -0.00891200 -0.06935745 -0.00638128 -0.00854428 -0.01594434 -0.00199904 0.00453313 +O 7.31833573 7.30564797 4.45441877 0.00106195 -0.00392892 0.00543114 -0.00341603 -0.01968264 0.01879386 -0.00188827 -0.00164398 -0.00074172 +C 8.78468540 7.34488356 6.26676755 -0.00177307 0.00025873 0.00116417 -0.00667807 0.01570898 0.00708017 0.00049043 0.00014186 0.00273814 +H 8.92373763 7.13982161 7.29629148 0.00410481 0.00912371 -0.00461985 -0.08185327 -0.01516329 0.07031541 -0.02907325 -0.00480792 -0.00229275 +H 9.36647662 6.68689172 5.68011159 0.00308217 0.00474285 0.01869134 0.09011371 -0.07609396 0.09073872 0.00251088 -0.00075833 0.01845993 +H 9.31508837 8.32614066 6.10192729 -0.01126967 -0.00959970 0.01688398 -0.12303979 0.02780941 0.06714697 -0.00968720 0.03484314 -0.00126782 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00719595 5.75944387 6.01119967 -0.00093320 -0.00117818 -0.00156285 -0.02305867 -0.02352337 -0.01821632 -0.00414996 -0.00600133 -0.00411294 +C 2.27178974 6.05956354 5.85531886 0.00117293 0.00317811 0.00102755 0.03291642 0.05562866 0.02221223 0.00444382 0.00817359 0.00455177 +H 0.84423196 4.94028875 5.65129908 0.00200032 -0.00966395 0.00631446 -0.02437327 -0.07864642 0.06031257 -0.00213178 0.00881369 0.01850994 +C 2.61443323 7.42243814 6.10776823 -0.00379971 0.00241347 0.00602662 -0.03648240 0.01316503 0.03062889 -0.00315536 0.00286651 0.00238955 +H 3.08166806 4.14096890 5.36431726 0.02210901 -0.01618520 0.02132396 0.13214537 -0.04063054 0.14541230 0.00727132 0.01245825 0.01434461 +C 3.94414627 7.86968552 6.17616756 -0.00262575 0.00307975 0.00274229 -0.01824476 0.01941953 0.01586483 -0.00266529 -0.00057443 0.00139350 +H 1.74623055 8.10452116 6.20801815 -0.01041979 -0.00619123 -0.02792864 0.01052410 0.01311703 -0.08836762 -0.00490342 0.02053631 0.00759786 +C 4.98403437 6.95165590 5.97122971 -0.00288031 -0.00574147 -0.00053386 -0.01498233 -0.00920160 -0.00592900 -0.00334871 0.00214568 -0.00146591 +H 4.13140795 8.94461741 6.33669777 0.01396908 0.00908030 -0.00302827 0.06062814 -0.03888465 -0.00639783 0.00270095 0.00299384 0.00406341 +C 4.64884422 5.64303754 5.66043892 -0.00198047 -0.00275493 -0.00230005 -0.01360449 -0.03617029 -0.02464081 0.00004589 -0.00536093 -0.00448889 +N 6.31421303 7.44046999 6.05715268 -0.00857749 -0.00135026 -0.00446890 -0.05443062 -0.00708161 -0.00522671 -0.00483613 0.00019382 0.00362412 +C 3.30518590 5.15455662 5.61760081 0.00074111 0.00335887 -0.00380812 0.01517389 0.01657700 -0.02514570 0.00280099 0.00088504 -0.00229108 +H 5.45922812 4.97807736 5.40377894 0.00061863 0.01810300 -0.00503208 -0.00167279 -0.03878504 -0.01489456 -0.00403217 -0.02749298 0.00218567 +C 7.50579223 6.85990066 5.93519617 0.00209816 0.00330755 0.00399226 -0.00173882 0.02630949 -0.00322758 -0.00265342 0.00318553 -0.00589404 +H 6.40044987 8.37361813 6.44040251 -0.01360906 -0.02652087 0.01191251 -0.11598011 -0.03678110 0.10061507 -0.01744989 0.00752643 0.01005255 +O 7.61096826 5.86650779 5.29429236 0.00476827 0.00076640 0.00334297 0.03804543 -0.01947514 0.02057279 0.00564273 -0.00538481 0.00306034 +C 8.78183078 7.58347627 6.27562823 0.00585035 -0.00375862 0.00031241 0.05395915 -0.00237133 -0.02926623 0.00696903 0.00252918 -0.00139274 +H 8.79205838 8.10512252 7.19697825 0.02751191 0.00550701 -0.04098205 0.10211419 0.12570617 -0.01100149 -0.00037709 0.00471856 0.00660271 +H 9.64601452 6.87459601 6.29856753 0.00122353 -0.00204312 -0.00835800 -0.01265859 -0.01953151 -0.04748999 0.00910189 -0.01537763 -0.00162336 +H 8.95910215 8.34089122 5.41555689 0.03188147 0.01648002 -0.00925736 0.16523178 -0.09793434 0.12943356 0.02429039 -0.00118280 -0.00961983 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02002637 5.84447815 5.71245315 0.00146135 -0.00129155 -0.00416698 0.00051903 -0.00984701 -0.03151522 -0.00360210 0.00040056 -0.00388912 +C 2.36154488 6.01670781 5.74433169 -0.00312999 0.00452200 -0.00164279 -0.03323661 0.01986563 0.00006056 -0.00262861 0.00080281 0.00169024 +H 0.58068497 6.58214817 6.02687785 -0.00420335 -0.00879536 -0.02084054 -0.08255983 0.00121554 -0.08278960 0.00176952 -0.02096350 -0.01447635 +C 3.10286423 5.35555578 4.80066834 -0.00254992 -0.00152612 0.00065162 -0.00931518 0.00039210 -0.01840136 0.00005917 0.00367860 -0.00137365 +H 2.38999207 7.13286834 7.66775536 0.00997781 0.01293816 -0.00333795 -0.01455830 0.09727122 -0.11346628 -0.02109034 0.01975915 -0.00554811 +C 4.50620957 5.54018123 4.80276319 -0.00027946 0.00128574 0.00092320 -0.01418167 0.00626096 -0.00880539 -0.00421885 -0.00013996 -0.00358212 +H 2.57909504 4.90094345 3.92382931 -0.03517663 -0.01119788 -0.00119981 -0.04434007 -0.10644580 0.18417080 0.00767996 -0.03366871 0.01683888 +C 5.14607415 6.42479931 5.70553657 0.00060438 -0.00292026 0.00246228 -0.01428381 -0.04595493 0.04740018 -0.00369205 -0.00990136 0.00965199 +H 5.06931070 5.07291450 4.01437882 -0.02248275 -0.00774106 -0.00919579 -0.08998075 -0.03306682 -0.04219796 0.00125348 0.00129790 0.00226627 +C 4.30865940 6.88870657 6.80569747 -0.00058686 0.00288384 0.00625672 0.02092842 0.04024996 0.00728604 0.00595816 0.00732596 -0.00396459 +N 6.54636455 6.46214613 5.60822434 -0.00168685 -0.00318639 0.00080244 -0.01562245 -0.01468355 0.00946119 -0.00100805 -0.00138508 0.00088484 +C 2.92697599 6.74225934 6.77268484 0.00509681 -0.00366800 0.00587559 0.03300234 -0.02762363 0.05025097 0.00323505 -0.00438646 0.00513901 +H 4.59613244 7.61061757 7.58255655 -0.02727516 0.02209869 -0.01468110 0.05274982 0.05386340 -0.03956826 0.04235394 -0.00095828 0.00819629 +C 7.37081567 7.36951843 6.15963026 -0.00027759 0.00053989 -0.00561414 -0.01103154 0.01801921 -0.02298403 -0.00222021 0.00287741 -0.00155811 +H 6.89041527 5.68150392 5.13005532 0.00894857 0.00104691 -0.01431215 0.10953246 0.10788191 -0.12127196 0.00418904 0.04056207 -0.00678100 +O 6.99107836 8.20626546 7.00199399 0.00204073 -0.00120776 -0.00293881 0.01548694 -0.01272582 -0.02829842 0.00186959 -0.00160851 -0.00439872 +C 8.82194934 7.41558863 5.71822635 0.00122712 0.00185870 0.00286514 0.01813942 0.01818697 0.02088354 0.00156715 0.00201818 0.00353889 +H 9.23728428 6.40446324 5.96777575 0.01399795 0.00929126 -0.01692363 0.12713168 0.09191334 -0.14910454 0.02296704 -0.00387358 -0.02121370 +H 8.90348541 7.63281203 4.61108831 0.01208344 0.02944360 0.00839762 0.06573474 0.16138605 0.13974340 0.00913401 0.02775488 0.00132354 +H 9.38954587 8.23443942 6.24952004 0.01073956 0.00140369 0.03338755 -0.04177099 -0.16197795 0.14047198 -0.00363236 -0.01860082 0.02494757 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02641924 5.99692254 5.71349879 -0.00612798 0.00032382 0.00362322 -0.06271171 -0.00091074 0.00847541 -0.00997815 -0.00052900 -0.00169482 +C 2.32083312 6.10463612 5.89491999 -0.00621427 -0.00260242 0.00048430 -0.00520073 -0.02372671 0.01954489 0.00366637 -0.00475761 0.00290731 +H 0.78923429 5.94568981 4.83379314 0.01580496 0.00987703 -0.01455536 0.06836668 0.04947010 -0.02700031 0.00069940 0.00443768 0.01658302 +C 2.76441078 6.46221350 7.17854125 0.00009581 -0.00084466 -0.00546593 0.01557400 0.00913185 -0.02339411 0.00200951 0.00341625 0.00010427 +H 2.98343412 5.38635963 3.95273447 -0.01946836 -0.01802227 -0.00593029 -0.03721513 -0.07685612 0.08577122 0.00438227 -0.01309855 0.00352311 +C 4.13570296 6.70102751 7.39368803 -0.00409648 -0.00591515 0.00356865 -0.00581342 -0.01028862 0.01441804 0.00117401 0.00162111 -0.00327040 +H 2.18932974 6.76049330 8.03895074 0.00901412 0.01014299 -0.01688389 -0.14260908 -0.00096533 -0.11942095 -0.03410859 -0.00988204 -0.01976517 +C 5.06392670 6.62817725 6.32357116 -0.00240799 0.00036688 0.00032695 -0.01345366 0.00200008 0.02260531 0.00027523 0.00055780 0.00577237 +H 4.49202031 7.17669661 8.37387323 -0.00024734 0.03133123 -0.01723480 -0.08845412 0.08290036 -0.13966739 -0.00782251 0.01378408 0.02505820 +C 4.61006248 6.00592856 5.15717037 -0.00265750 0.00868938 0.00288098 0.02412768 0.04779976 0.00425376 0.00632928 0.00423391 -0.00144749 +N 6.36919890 7.12402756 6.47923760 0.00135156 -0.00120997 -0.00055484 0.01071024 -0.00711086 -0.00659287 0.00044243 -0.00073295 -0.00014258 +C 3.28003473 5.78238409 4.92951584 0.00850510 -0.00205873 0.00095245 0.00223944 -0.02403092 -0.01366857 -0.00674537 -0.00330622 -0.00110360 +H 5.33198148 5.67844246 4.43131057 0.03298509 -0.00242649 0.01350121 0.01344390 0.04224821 0.05192078 -0.01483839 0.01018987 -0.01159279 +C 7.40368903 7.18620691 5.59520426 -0.00067793 -0.00279908 -0.00079815 -0.00694658 -0.03886123 -0.01600480 0.00048829 -0.00640857 -0.00081163 +H 6.59138229 7.57842611 7.33989290 -0.00723770 0.00590286 -0.00848175 -0.04306245 0.00847477 0.02055355 -0.00190250 -0.00882610 0.00114471 +O 7.28140862 6.79655978 4.40676298 0.00360373 0.00199680 -0.00013930 0.03416210 0.02326688 0.00888838 0.00562075 0.00387760 0.00113787 +C 8.78829269 7.58428131 6.10324035 0.00576767 0.00238741 -0.00071539 0.00452137 0.01183645 -0.00677591 -0.00296995 0.00212998 -0.00280806 +H 9.11544242 8.40265647 5.51382033 -0.01903203 -0.00744874 -0.00034271 0.00387244 0.03613350 -0.09906716 0.00939619 -0.00343122 -0.00449464 +H 8.56947933 8.01834574 7.09616654 0.03019846 -0.01605919 -0.00076239 0.30846325 -0.14445503 0.07305483 0.04404071 -0.01777284 0.01594142 +H 9.44491231 6.70463426 6.04170809 -0.00064867 -0.00023431 -0.01159944 0.04219565 0.05849187 -0.04179199 0.01279383 0.01158332 -0.00774580 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99804998 5.63948004 6.01330227 -0.00436078 -0.00180648 -0.00372469 -0.01388209 -0.00482629 -0.02590280 0.00044179 0.00068811 -0.00350217 +C 2.29742153 6.08262561 5.92748924 0.00280162 0.00076581 -0.00106315 -0.00417804 0.02342677 0.00411397 -0.00449257 0.00234218 0.00050243 +H 0.82849066 4.90565258 5.40267701 -0.00374538 0.00259148 0.01801288 -0.04404657 -0.07913498 0.07383465 -0.00436380 -0.01939130 0.00497728 +C 2.62934513 7.33051217 6.52760578 -0.00116489 0.00113085 0.00094381 0.01686335 -0.02154934 -0.00806220 0.00637350 -0.00441217 -0.00181915 +H 3.20123257 4.33721271 4.88385693 0.01327689 -0.01837041 0.00456766 -0.03601771 0.05259389 0.04563235 -0.03035494 -0.02132798 -0.01163399 +C 3.97986656 7.69940252 6.46989566 0.00223506 -0.00019347 0.00596008 0.02870533 -0.00104169 0.02863703 0.00509807 0.00113620 0.00306082 +H 1.89203392 7.93852095 7.06908137 0.03128599 -0.00800225 -0.01050227 0.04093064 0.03179927 -0.00128223 -0.01546091 0.00838026 0.00557314 +C 5.04659480 6.99619308 5.84102825 0.00341778 -0.00033399 -0.00838183 -0.01408909 0.02982741 -0.02866099 -0.00570331 0.00808431 0.00008470 +H 4.24647535 8.64207373 6.94097439 0.00054411 -0.04597173 -0.00717559 0.05198340 -0.00512011 0.12648588 0.00797456 0.02478334 0.03013300 +C 4.64883941 5.78501499 5.26398394 -0.00185889 0.00237648 0.00117573 0.01390665 0.01839322 -0.00726575 0.00250527 0.00250098 -0.00243046 +N 6.32178180 7.58422085 5.91426217 0.00351165 -0.00142489 -0.00170659 0.02035791 -0.02521108 -0.01513845 0.00134154 -0.00143837 -0.00118614 +C 3.33493981 5.38702643 5.29704066 -0.00351141 -0.00115664 0.00298492 -0.02576127 -0.05626960 0.01104052 -0.00107235 -0.00767711 0.00248110 +H 5.37800008 5.16086910 4.73487231 0.02431519 0.01892621 0.01388049 0.07008045 0.07390467 0.09350576 0.00282499 -0.01029265 0.00065580 +C 7.45923462 6.86291018 5.83365097 0.00152007 0.01362968 0.00577074 0.02202776 0.06847933 0.04691326 0.00294543 -0.00112003 0.00611169 +H 6.41169200 8.51284433 6.22360022 0.01821001 -0.01442142 0.01102602 0.06543879 -0.01020723 0.04554754 -0.00651714 -0.01355389 -0.00875366 +O 7.48470337 5.65004202 5.73272594 -0.00131458 0.00137203 0.00101999 0.00066383 0.02264194 0.00580779 0.00185305 0.00704990 0.00108525 +C 8.80163672 7.66347164 6.07154053 -0.00861035 -0.00333721 -0.00196562 -0.04242364 -0.04232539 -0.02000150 -0.00217292 -0.00464411 -0.00388263 +H 8.70336949 8.40757913 6.84261123 0.01656226 -0.01400252 -0.00015186 0.06455237 -0.01542689 0.01121554 0.00159984 -0.00044839 -0.01117121 +H 9.59615265 6.98693434 6.40633522 0.01082971 -0.02447903 0.00157115 -0.11133607 -0.06712514 -0.05878582 -0.02685407 -0.00715195 -0.01316069 +H 9.17615410 8.11902849 5.18768961 -0.00838107 -0.02306667 -0.02922378 -0.11570789 -0.13941594 -0.12516453 -0.02539437 -0.01867063 0.00926836 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98377164 5.68533795 5.86856886 0.00347109 -0.00311179 0.00175073 0.04131765 -0.00919017 0.01275983 0.00706852 -0.00094304 0.00077646 +C 2.31090798 6.10140976 5.90595552 0.00435932 0.00778744 -0.00250162 0.00934978 0.08115800 -0.02828241 -0.00249934 0.00972833 -0.00523302 +H 0.96627236 4.83308771 5.52533239 -0.02775498 0.02134536 -0.03007505 -0.18843940 0.09712938 -0.19258466 -0.01085926 0.04145914 -0.00620239 +C 2.66161169 7.52725668 5.90488919 -0.00338462 0.00134822 -0.00018097 -0.03553586 -0.01954970 0.01606157 -0.00222010 -0.00364048 0.00428364 +H 3.14332313 4.14642360 5.78389039 -0.00940330 -0.00510227 0.00380829 -0.03804368 0.06900474 -0.01154060 -0.00333357 0.02218627 -0.00432950 +C 4.00240302 7.91997759 5.92509985 0.00593714 -0.00917310 0.00336087 0.00427066 -0.04121574 0.01159772 -0.00635094 -0.00112243 -0.00050433 +H 1.81445406 8.23651738 6.02189614 -0.00225747 -0.00134674 0.01456865 0.05797714 0.02194673 -0.02350896 -0.00173504 0.01819167 -0.01723681 +C 4.99938196 6.97928781 6.02718035 -0.00107367 -0.00085728 -0.00518219 0.01759350 -0.04039155 -0.04784194 0.00483127 -0.01165615 -0.00789128 +H 4.30440980 8.92897796 5.79031766 -0.01115188 -0.01363954 -0.02152572 -0.09399580 0.01550953 -0.00966048 -0.01231353 -0.00072909 0.02223744 +C 4.68513481 5.61480324 5.88947830 -0.00326195 -0.01381863 -0.00119836 -0.00855989 -0.07474428 0.00051100 0.00435334 -0.00351209 0.00146939 +N 6.29231408 7.47172686 6.11178378 -0.00147068 -0.00039487 0.00197410 -0.01472129 0.00395661 0.01255826 -0.00278509 -0.00087543 0.00073838 +C 3.35244556 5.18664245 5.78547707 0.00212720 0.01303889 0.00400249 -0.00218348 0.05235652 0.03642949 -0.00414429 0.00066929 0.00564056 +H 5.34940466 4.75576857 5.91951832 0.01577917 0.00875834 0.00090514 0.16305797 0.08534981 -0.00841741 0.01228292 0.00353083 -0.00300171 +C 7.43658766 6.84511724 5.88602373 -0.00400988 0.00536818 -0.00509473 0.00350023 0.04428382 -0.02904905 0.00462102 0.00509025 -0.00334031 +H 6.42462786 8.49251815 6.29690627 -0.01482424 -0.00111472 0.00837062 -0.12782488 -0.05782078 0.10025039 -0.01420987 0.01620704 0.02598555 +O 7.55576935 5.75653339 5.40051481 0.00109433 -0.00052804 0.00289086 0.00490520 -0.01676159 0.01462771 0.00038767 -0.00272773 0.00156183 +C 8.72266775 7.58686272 6.25485687 0.00158510 0.00324463 -0.00218401 -0.00078576 0.01014890 0.00078717 -0.00079276 0.00149821 0.00013450 +H 9.41331944 7.66490149 5.45326017 -0.01907364 0.00034538 0.02094256 0.00976295 0.00127412 -0.10820776 0.00074168 -0.00183174 -0.01570972 +H 8.55950479 8.60043403 6.58915992 0.00332566 -0.01736395 0.00053501 -0.02645238 0.02155927 0.07532798 -0.00633047 0.00788253 0.01251160 +H 9.29250783 7.04200875 7.00854943 -0.01381737 -0.01129846 0.00835233 -0.13796200 -0.04056165 0.04321933 -0.01765107 -0.00137674 0.00320285 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.06503337 5.75096875 5.92732220 -0.00174933 -0.00017265 -0.00007794 -0.03689670 0.00146668 0.00375207 -0.00906028 -0.00207977 0.00016365 +C 2.33225513 6.12824809 5.88083873 -0.00673701 -0.00005939 0.00460937 -0.02393686 -0.01528567 0.02592322 0.00067034 -0.00630689 0.00178454 +H 0.86344035 4.93652654 5.53119005 0.00125833 0.01087675 0.02358030 0.00625818 -0.08827160 0.08491068 0.00758959 0.00509104 0.01746512 +C 2.64352490 7.38279593 6.42513959 0.00304733 -0.01206160 -0.00459534 0.02152015 -0.07474770 -0.02539492 0.00144694 -0.00653350 -0.00108917 +H 3.07092748 4.32299371 4.90065377 0.00958335 -0.00532650 0.00169622 0.04280660 0.02613755 0.02594617 -0.00083568 0.00654205 0.00349328 +C 3.97206841 7.77031695 6.44432275 0.00014351 -0.00067667 -0.01008843 0.00338842 0.00613863 -0.07348218 0.00049646 0.00144054 -0.00993815 +H 1.92258448 8.08296386 6.81471327 -0.00062679 -0.03908699 0.00318127 -0.08771810 -0.22529903 0.04130909 -0.01050756 -0.02163899 0.00413267 +C 4.98273301 6.93928950 5.90314153 0.00251585 0.00052306 0.00145821 0.02225035 0.02187757 0.02670249 0.00391415 0.00460197 0.00410908 +H 4.13380041 8.80212939 6.78501890 0.00055480 -0.00051393 -0.00785060 0.07030978 -0.06163665 -0.01899616 0.01525851 -0.00029057 0.00581575 +C 4.70077316 5.69923159 5.38788920 -0.00411572 0.00459454 -0.00297415 -0.06338904 0.01653403 -0.04487940 -0.00878438 0.00247106 -0.00889954 +N 6.23869165 7.44402037 5.93608224 0.00527388 0.01278664 0.00264517 0.04538687 0.08332434 0.01406116 0.00695199 0.01090986 0.00164292 +C 3.31830672 5.28392055 5.33630712 -0.00243512 0.00222124 0.00540885 0.00118066 0.01218808 0.03897771 0.00023633 0.00046815 0.00507179 +H 5.40231561 5.11880765 4.82870610 -0.01052335 0.02294919 -0.02601547 -0.00495839 0.07680522 -0.06914282 -0.00356880 0.00023336 0.01073615 +C 7.44612975 6.85901218 5.96569653 0.00033696 -0.00638112 -0.00173836 0.01435072 -0.01978546 -0.02482391 0.00264100 0.00336747 -0.00482408 +H 6.20212875 8.42855855 5.80580969 -0.00864711 0.00021331 0.02605396 0.07532894 0.13858474 0.23101602 0.03036152 0.00749310 0.03603562 +O 7.59526456 5.64099763 5.89628298 -0.00006049 0.00207460 0.00045534 -0.00150915 0.00234738 0.00749983 -0.00055798 -0.00239608 0.00144895 +C 8.72630827 7.73949861 5.89005335 -0.00033946 -0.00267891 0.00612468 -0.00731312 -0.04339634 -0.00049507 0.00027925 -0.00638643 0.00033500 +H 8.71221241 8.40929212 6.69404613 0.02210084 -0.01984934 -0.02105062 0.15851123 0.07626759 0.04213764 0.00954041 0.00106885 -0.00586676 +H 9.60071920 7.09097198 5.89674164 0.01177598 -0.00879184 0.00596267 -0.00035843 -0.00422299 0.09947558 -0.01006157 0.00026105 0.01693779 +H 8.74445982 8.20089568 4.87759028 0.02032861 0.00466230 -0.02691428 0.09939779 -0.00717524 0.11249241 0.00755550 0.00263102 0.02309715 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97095519 5.74915776 6.00732172 -0.00724300 -0.00640429 -0.00229795 -0.03641237 -0.02930151 -0.02006979 -0.00448368 -0.00456238 -0.00377645 +C 2.29366276 6.16294495 5.88992229 -0.00711901 0.00652870 -0.00077136 -0.07360924 0.02254703 -0.00274896 -0.00819278 -0.00041622 -0.00102292 +H 0.82260817 4.87631446 5.72016569 -0.00238313 0.00821164 0.02136547 -0.02263517 -0.10536129 0.09145710 0.00429351 0.00584359 0.01499082 +C 2.57678559 7.41754295 6.37066335 -0.00143342 0.00729293 0.00205131 0.01698915 0.04576029 0.00246369 0.00001673 0.00459947 -0.00061252 +H 3.08589127 4.48104325 4.78167266 0.00443453 0.00807913 -0.00521892 -0.07597667 -0.09226077 0.07729247 -0.01542309 -0.01360368 0.03331045 +C 3.93241649 7.78987703 6.35753310 -0.00058756 0.00105181 -0.00156049 0.01402400 -0.00840457 -0.01495085 0.00486047 0.00090877 -0.00079869 +H 1.92342313 8.19156340 6.66386192 -0.00567894 -0.02803453 0.00109727 -0.21049825 -0.11930090 0.09886181 -0.00964016 -0.01868336 0.01245907 +C 4.99174420 6.87556765 5.95098539 -0.00415721 0.00108036 0.00240130 -0.00965063 0.01983645 0.02773754 0.00321874 0.00158545 0.00410285 +H 4.14346518 8.78280512 6.68692095 -0.00044104 -0.02561950 -0.00745541 0.08426276 0.01336405 0.03394879 0.01528106 0.00473813 0.00764287 +C 4.63366492 5.62283710 5.43342723 0.00252797 -0.00520331 0.00048071 0.03253110 -0.02002600 0.02124968 0.00521877 0.00295697 0.00583344 +N 6.32821966 7.31152145 6.15119010 0.00601096 -0.00276720 0.00018661 0.01679672 0.00309382 0.00554872 -0.00258089 0.00253343 0.00135072 +C 3.28440932 5.32754926 5.37977950 0.00350242 0.00074273 0.00046200 0.00524140 -0.00459280 -0.01396322 -0.00455195 -0.00270064 -0.00394532 +H 5.33925920 4.80081035 5.20187090 0.02817840 0.01221693 -0.00409513 0.13352906 0.19145369 -0.09791875 0.01491479 0.01938322 -0.02439599 +C 7.54059316 6.82565162 5.88723461 0.00025254 -0.00428149 0.00613559 0.00697023 -0.02444935 0.03399083 0.00240250 -0.00188260 0.00309149 +H 6.47420109 8.24459320 6.48359693 0.01322638 0.01857744 0.00472424 -0.04365513 -0.01871096 0.00324641 -0.01811529 -0.00705408 0.00172209 +O 7.76989968 5.73915300 5.43161733 0.00144602 0.00269430 -0.00246858 0.00961902 -0.00302738 -0.02233693 0.00120875 -0.00352387 -0.00369809 +C 8.67196955 7.79705950 6.07926938 0.00407302 -0.00243196 -0.00288965 0.01894204 -0.00044952 -0.01267861 0.00232359 0.00477260 0.00078223 +H 8.38590938 8.35233753 6.90466959 0.00452966 0.03182106 -0.00649763 0.12396596 0.19605729 -0.03577482 0.03383814 -0.00601154 -0.02672605 +H 9.63875562 7.37461747 6.24898976 0.01028147 0.00391117 -0.00945215 0.06115375 -0.02919936 -0.06780429 -0.00978142 -0.00388226 -0.01188662 +H 8.68386081 8.39920764 5.19317173 -0.00861833 0.01122022 0.00341250 0.00541874 0.07398246 0.00293064 0.00936929 -0.00464597 0.00420961 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92524180 5.74711469 5.92235361 0.00432851 0.00054276 0.00024456 0.04348122 0.01063023 0.00402806 0.00479824 -0.00013151 0.00098916 +C 2.27857589 6.13646507 5.93034688 -0.00146600 -0.00673388 0.00035757 -0.02221887 -0.01911287 -0.03527380 -0.00116020 0.00134829 -0.00926968 +H 0.89604325 4.84676829 6.12871410 -0.03022453 0.01179960 -0.02315645 -0.21842984 -0.00479141 -0.12638381 -0.01432505 0.02676100 -0.01814981 +C 2.62100833 7.39299961 5.31754047 0.00308276 -0.00338043 0.00417609 0.02931134 -0.01326260 0.03984638 0.00239996 -0.00072686 0.00583239 +H 3.09434221 4.21861030 6.49399594 0.00604903 0.00092053 0.00598399 -0.00271616 0.00192454 0.05554784 -0.00660593 0.00607707 0.00431872 +C 3.99676770 7.80425858 5.23927959 0.00270756 -0.00206907 0.00088005 -0.00137855 -0.03221223 0.01183657 -0.00422601 -0.00620332 0.00237552 +H 1.94610669 8.14216080 5.02838908 -0.01087827 0.01559133 -0.02218502 -0.04167005 -0.11560001 -0.06859669 0.00984267 -0.04751661 0.00854138 +C 5.03203464 6.90096363 5.66857759 -0.00344874 0.00360865 0.00208402 -0.03683028 0.02463352 0.02534662 -0.00402519 0.00210480 0.00566725 +H 4.23269017 8.82223681 4.88579565 -0.01512908 -0.00574746 -0.00901366 -0.06896159 -0.07396945 -0.04835299 0.00196110 -0.00219829 -0.00812772 +C 4.67644432 5.60006479 6.11673338 0.00163756 0.00272564 0.00020055 -0.00306485 0.00342699 -0.00279340 -0.00590599 -0.00025840 -0.00196605 +N 6.30552706 7.40801047 5.70197683 -0.00645857 0.00203509 0.00230381 -0.01800232 0.03268203 -0.00371728 0.00147109 0.00486130 -0.00213754 +C 3.31302522 5.22585631 6.20873306 -0.00588328 0.00139578 -0.00234173 -0.01755220 0.00142912 -0.00661680 0.00131182 -0.00167398 0.00091533 +H 5.44828025 4.85966787 6.39734149 -0.00377122 -0.04188663 -0.02041867 -0.12559882 -0.06201580 -0.14687185 -0.00251821 0.00837601 -0.01023743 +C 7.47761214 6.92116849 6.13375900 -0.00174780 -0.00086010 0.00239307 -0.00263870 0.00139466 0.01295699 0.00126525 0.00421828 -0.00063027 +H 6.39191660 8.28845439 5.20787654 0.00016281 0.00638961 -0.02314165 -0.00278770 -0.03765735 -0.04638656 0.00093007 0.00438511 -0.00195625 +O 7.57397048 5.81991608 6.68526904 0.00080739 0.00952014 -0.00105011 0.00433592 0.05661819 0.00030349 0.00006867 0.00474906 0.00206106 +C 8.78894070 7.68997798 5.87872475 0.00984361 -0.00546880 -0.00109517 0.06386315 -0.05570728 0.00788919 0.00310541 -0.01128705 -0.00399028 +H 8.70044666 8.77635424 5.67479836 -0.00495653 -0.00944095 0.00539417 -0.03517021 -0.09856190 -0.01303849 -0.00094453 -0.00586541 -0.00148894 +H 9.54607155 7.61787161 6.78253634 0.01060986 -0.02764789 0.01623890 -0.12678113 -0.15394627 -0.07104374 0.00751581 -0.01995556 0.01996429 +H 9.27967833 7.09878855 5.15700108 0.00005813 -0.00949854 -0.02822175 0.00022284 0.08849409 -0.18578627 -0.00733663 0.03778178 0.00112492 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.07409317 5.68129146 5.81359776 0.00624188 0.00020560 0.00486974 0.01611405 -0.01297149 0.02380710 -0.00246818 -0.00163433 0.00358119 +C 2.33024717 6.11139901 5.86554521 -0.00283298 -0.00203271 -0.00635603 -0.02094268 0.01180009 -0.03097608 -0.00053803 0.00421838 -0.00299236 +H 1.04923778 4.87833252 5.29680992 -0.00801485 -0.01509998 -0.01427170 -0.08830032 0.04772626 0.02553256 -0.01729466 -0.00859809 -0.00407203 +C 2.64181111 7.38471699 6.39189396 0.00273359 -0.00422369 -0.00353320 -0.00779448 -0.01335575 -0.00590710 -0.00277254 0.00160151 0.00106585 +H 3.14390502 4.34008234 4.90100156 0.00226839 -0.03212146 -0.00733736 -0.03932083 -0.02956115 0.13066055 -0.00970650 0.01178148 0.03503475 +C 3.95527270 7.84777420 6.51825839 0.00553860 0.00206804 0.00202704 0.01246498 0.02462424 0.00061432 -0.00431980 -0.00064983 -0.00344379 +H 1.81233636 7.95229735 6.77902264 -0.01883705 0.01680154 -0.00711956 0.03722019 0.05587985 -0.12828028 0.01494171 0.00360517 -0.01929755 +C 4.97590741 7.00522096 6.07373348 -0.00778234 0.00120616 -0.00635720 -0.02605807 -0.00160209 -0.04192917 0.00291295 0.00107664 -0.00401387 +H 4.11516275 8.92557912 6.83324941 -0.01025769 0.01347452 0.00586146 -0.00560726 -0.09262869 0.05865759 0.01680885 0.00756103 0.02266416 +C 4.59303873 5.70083184 5.59517021 -0.00164101 0.00381552 0.00453943 0.01762577 0.02152867 0.01797348 0.00139180 0.00316879 0.00105764 +N 6.29778023 7.45016160 6.06311067 0.00137558 0.00164837 0.00709521 0.00511616 -0.00874103 0.04547732 -0.00100400 -0.00463311 0.00494360 +C 3.27790034 5.26812583 5.41650398 -0.00232418 0.00325569 0.00136811 0.02662326 -0.00514388 -0.00741226 0.00834528 -0.00259947 -0.00194259 +H 5.44891322 5.01426520 5.24700571 0.00315120 0.00412394 0.02073532 -0.10710006 0.02089542 0.13149814 0.01771099 -0.03254141 0.00069294 +C 7.47307053 6.82759842 5.82390877 -0.00330054 -0.01150615 -0.01096722 -0.00719114 -0.02336878 -0.05726882 0.00193751 0.00813504 -0.00318580 +H 6.45611603 8.41184337 6.37588035 -0.00977320 -0.01646095 0.00372224 -0.06456513 0.01164912 0.05287470 -0.00363243 0.01131682 0.00958000 +O 7.62241897 5.66356538 5.50313390 -0.00229114 0.00011567 -0.00140702 -0.01646433 -0.02125972 -0.01707563 -0.00238053 -0.00670785 -0.00388840 +C 8.72284862 7.70147634 5.96044080 0.00547063 0.00501735 0.00441063 0.01960209 0.04297999 0.04074691 -0.00084854 0.00173448 0.00506582 +H 8.73367555 8.12307090 6.99668979 -0.00067124 0.02695925 0.01532354 0.02028439 0.06218276 -0.04280585 0.00854210 -0.00056889 0.00397933 +H 9.70843372 7.27322347 5.80890944 0.00438788 -0.00697415 -0.00701163 -0.05373274 -0.08362321 -0.05040509 -0.01969061 -0.00742905 -0.00118524 +H 8.61973467 8.60026131 5.27433311 0.00523480 0.00988793 0.01371077 0.06483632 -0.01244168 0.08628667 0.01044185 0.01284176 -0.01125406 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.08674790 5.49724269 5.83532289 -0.00531280 0.00171603 -0.00240438 -0.03118363 0.02239302 -0.02123448 -0.00450447 0.00290659 -0.00129339 +C 2.32338946 6.09060695 5.79726814 -0.00219681 -0.00397034 0.00044464 -0.03436074 -0.00638111 -0.04822879 -0.00560359 0.00026408 -0.01009095 +H 1.07897312 4.91422376 6.54164614 -0.01371811 0.02868328 0.00068791 -0.16118499 0.10567761 0.08204727 -0.02536511 0.02959585 -0.01565676 +C 2.75890858 6.88387413 4.67790320 -0.00143777 -0.00697177 -0.00007773 -0.01793491 -0.06056856 0.01206344 -0.00282703 -0.00811233 0.00141021 +H 2.86182058 5.23843907 7.60505051 0.01268783 0.04467587 0.01090579 0.05127191 0.24215560 0.14561175 0.00177983 0.02318620 0.01450486 +C 4.09779825 7.32492782 4.59126978 -0.00418093 -0.00784153 0.00889649 -0.00320637 -0.03961121 0.06234291 0.00226115 -0.00267155 0.00670706 +H 2.07404453 7.05369902 3.85472685 -0.00710649 0.00798754 0.01896952 -0.05251222 0.05491313 0.06859894 -0.00360568 0.00357580 -0.00009897 +C 5.03296648 7.06104503 5.66234728 0.00080714 0.00295797 0.00253817 0.00746931 0.00984180 -0.00103908 -0.00020917 -0.00255981 0.00001406 +H 4.43403045 7.82969358 3.71364089 0.01872875 0.00784581 0.00876530 0.02952302 0.00980805 0.11262203 -0.01340051 -0.00500085 0.02010659 +C 4.54799817 6.33557584 6.77168616 0.00008295 -0.00334441 -0.00335831 -0.01519644 -0.03029735 -0.01383602 -0.00128191 -0.00362612 -0.00131727 +N 6.42631679 7.40663449 5.49601680 -0.00271051 0.00017419 -0.00030743 -0.03401797 -0.00690571 0.02015922 -0.00393566 -0.00135379 0.00587792 +C 3.18124316 5.87810044 6.80370500 -0.00237319 0.00481379 -0.00947477 0.03102125 0.02373698 -0.02111700 0.00689654 0.00131226 0.00384210 +H 5.15270728 6.02311091 7.57452228 0.01572390 -0.01376954 0.02001754 -0.04171588 0.01161028 0.02404162 -0.02498963 0.01673268 -0.01543536 +C 7.42980577 6.86174687 6.20346206 0.00634081 0.00026860 0.00461754 0.03384070 0.02797311 0.00728989 0.00125941 0.00821902 -0.00322469 +H 6.64622270 8.16554329 4.85513256 -0.00164377 -0.00719201 0.00746578 -0.00221770 -0.02881348 0.00165021 -0.00297212 -0.00214013 -0.00553301 +O 7.28872953 5.89459329 6.94118933 0.00398913 0.00172385 -0.00517734 0.04345581 0.00511208 -0.02858533 0.00831921 -0.00032058 -0.00273998 +C 8.80699062 7.51075379 5.99179407 0.00271991 0.00637094 0.00223199 0.03704555 0.02823542 0.00443140 0.00616345 0.00101582 -0.00054838 +H 9.35834137 6.95688370 5.22545572 -0.00869222 -0.02421284 -0.00827425 -0.14607242 -0.05346888 -0.00224896 -0.01967019 0.00509645 0.00031154 +H 8.73147026 8.55415362 5.67241193 0.04207901 0.01423479 -0.00428901 0.23018948 0.01838022 0.00754299 0.01856915 -0.00558931 0.00662396 +H 9.53566686 7.46098534 6.82202864 0.00344942 -0.02332084 0.00103463 -0.09023925 -0.13998115 0.04802455 -0.01554921 -0.01430573 0.01573986 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98256995 5.73414590 5.99969770 0.00546704 0.00177546 0.00426607 0.04574192 0.00736886 0.02179725 0.00608263 0.00087253 0.00328932 +C 2.32882917 6.09953044 5.85328468 -0.00294910 -0.00164326 -0.00682662 -0.04399146 0.00223490 -0.03412078 -0.00370857 0.00214014 -0.00296626 +H 0.65295359 5.08511231 5.33551240 -0.00534611 0.03690955 -0.02204188 -0.00217150 0.27942010 -0.10794142 -0.00775680 0.02538252 -0.02939576 +C 2.63172534 7.43521441 6.20422598 0.00315588 -0.00219894 0.00547801 0.01868624 -0.00894949 0.03730756 0.00129121 -0.00162000 0.00279641 +H 3.17742992 4.16481238 5.31751002 0.00640230 -0.01827643 0.00842763 -0.04025195 -0.07955089 0.00906245 -0.01144141 0.01270171 -0.00372973 +C 3.95985026 7.90608857 6.14682260 0.00276270 0.00301287 -0.00249619 0.00261834 0.00613245 -0.01523527 -0.00431237 0.00041630 0.00029976 +H 1.90807896 8.10052794 6.65539705 -0.01675726 0.02392651 -0.01212168 -0.03191522 0.00782401 -0.18467677 0.00375325 -0.01388973 -0.02523701 +C 5.01115487 6.99886508 5.78062597 -0.00639477 0.00740004 -0.00344465 -0.06540298 0.04230844 -0.01576248 -0.00603823 0.00136964 -0.00203528 +H 4.13490850 8.95072281 6.41063347 -0.01841679 -0.01829565 0.03313255 -0.02443791 -0.06147141 0.19495995 0.01430362 0.00086010 0.01230219 +C 4.64932780 5.67591164 5.52555469 -0.00230307 -0.00268089 0.00132045 -0.02531704 -0.01996678 -0.00184991 -0.00269057 -0.00207045 -0.00184146 +N 6.25640059 7.48206140 5.82869148 0.00061844 -0.00074054 0.00020209 0.05552689 -0.01426865 0.00842558 0.00914877 -0.00193661 0.00203193 +C 3.31489198 5.19998606 5.47756188 -0.00121809 -0.00864248 -0.00411333 0.00513639 -0.04670990 -0.01365099 -0.00069085 -0.00472239 0.00058578 +H 5.40236213 4.92697476 5.33034506 -0.02446439 0.02040419 0.01465622 0.05385376 -0.01371090 0.04052533 0.02100223 -0.01005627 -0.00028670 +C 7.51146216 6.83054911 5.93790139 0.00198893 -0.00540152 -0.00432238 -0.04027416 -0.01465966 -0.01836881 -0.00830574 0.00177316 -0.00022027 +H 6.26470385 8.46871051 5.96964561 0.00630838 -0.00303384 0.01558507 0.11457364 -0.01020273 0.05431793 0.02587393 -0.00914964 -0.00241405 +O 7.66365213 5.61420079 6.01918697 0.00276308 0.00449471 0.00365363 0.01411999 0.01951349 0.02070492 0.00081221 0.00017137 0.00218912 +C 8.71441834 7.67660751 6.08973067 -0.00302602 -0.00128321 0.00224970 -0.00177672 0.00907686 -0.01304675 0.00177592 0.00234254 -0.00230536 +H 9.32623561 7.45427442 5.18825518 0.00068594 -0.00594032 -0.00978312 -0.03735983 0.00887830 0.03206707 0.00365683 0.00416318 -0.00223648 +H 8.46768309 8.73759031 6.02127087 -0.00609760 0.01405475 -0.01042047 0.01135055 -0.00898806 0.01470661 0.00669106 -0.00666302 0.01211386 +H 9.32868637 7.42118564 6.90466686 0.01359199 -0.00269438 -0.00110917 0.02581377 0.01322283 0.04572941 -0.02240998 0.01141460 -0.00854521 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04358281 5.71916300 5.71820641 0.00329011 -0.00888151 -0.00763780 0.01125718 -0.07233050 -0.04627425 -0.00140569 -0.00829495 -0.00576676 +C 2.33636252 6.10913026 5.89421332 -0.01070290 -0.00203118 0.00263310 -0.07109353 0.02935419 0.02797659 -0.00438846 0.00724518 0.00495175 +H 0.98708762 4.75485360 5.78682204 0.00561731 -0.02703491 -0.01009831 0.01413738 -0.03136252 -0.11225785 -0.00056694 -0.02870940 -0.01933676 +C 2.60909939 7.46764628 6.28105646 -0.00202574 0.00742416 0.00950234 -0.00309837 0.01453953 0.05222420 0.00232005 -0.00328106 0.00425859 +H 3.10501515 4.13944242 5.52924878 -0.00132182 0.00466787 0.00380749 -0.02941993 0.01111330 -0.08312249 -0.00295950 -0.00447711 -0.02515491 +C 3.93105748 7.89590051 6.36502969 0.01216457 -0.00049814 -0.00379098 0.06825771 -0.02427536 -0.02659787 0.00379104 -0.00353068 -0.00240298 +H 1.82295728 8.18482777 6.58582248 0.01343350 0.00393344 -0.00873583 -0.00181300 0.04626821 -0.07922476 -0.01439531 0.01339696 -0.00749973 +C 4.97268290 6.95816589 6.01007342 0.00040177 0.00377695 0.00169793 0.03447728 0.02236751 0.02024843 0.00938661 0.00137511 0.00333946 +H 4.14119244 8.88759266 6.72789614 0.00550598 -0.00808965 -0.00854696 0.08755602 0.01473906 -0.09019517 0.01758440 0.00150139 -0.01986895 +C 4.69538094 5.56545465 5.70857619 -0.00017174 0.00852578 0.00555545 -0.03332248 0.07017833 0.02549364 -0.01128404 0.01223291 0.00276090 +N 6.28454431 7.47379463 6.15110094 0.00603451 -0.00084433 -0.00172204 0.02504710 -0.00964269 -0.00954308 0.00142437 -0.00148529 -0.00064185 +C 3.32569655 5.19843994 5.67093058 -0.00512569 -0.00126790 -0.00059438 -0.00115135 -0.01121945 0.00437796 0.00154119 0.00169000 0.00245169 +H 5.45785614 4.77097497 5.37995090 -0.02146069 -0.00560642 -0.00822402 -0.12797870 0.10944776 0.08972489 0.02342782 0.00163049 0.01735797 +C 7.46043039 6.89508979 5.81008983 0.00014263 -0.00411262 0.00014346 0.00040580 -0.01274127 0.00739221 -0.00033956 0.00097382 0.00197216 +H 6.28577949 8.37462231 6.59968370 -0.00311876 0.00095839 0.00614934 0.09433431 -0.02197327 -0.00609372 0.02658871 -0.00327235 -0.00609760 +O 7.55106293 5.82057808 5.25303286 -0.00203236 0.00621790 0.00241425 -0.01552505 0.02220190 0.00599583 -0.00234952 -0.00093085 -0.00118975 +C 8.78328975 7.57844583 6.11503563 -0.00339682 -0.00479109 -0.00452503 -0.02731433 -0.02678891 -0.00791268 -0.00099517 0.00172796 -0.00037972 +H 9.43358922 6.89396386 6.68429920 -0.00736903 0.01005364 -0.00623159 -0.01050346 -0.02836113 -0.04053242 0.00484488 -0.01931323 -0.00072171 +H 9.25587515 7.82922330 5.23257260 -0.00648072 -0.01069477 0.01733216 0.06458894 0.00030617 -0.09890526 -0.00561271 -0.00625463 0.00166612 +H 8.68996699 8.39250649 6.75314707 0.01520833 0.00210306 -0.00518209 0.02008688 0.09766227 -0.03721266 -0.00947893 -0.00707498 -0.02300424 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97599129 5.73928038 6.01396215 0.00340898 0.00135409 0.00165645 0.02203794 0.00279625 0.00704425 0.00182159 -0.00178694 0.00024680 +C 2.30059205 6.10070319 5.89997567 -0.00031424 -0.00557380 0.00471946 0.00024834 -0.03537460 0.02480711 0.00227515 -0.00364779 0.00197699 +H 0.76479751 4.87886299 5.79696417 -0.00223088 -0.00959843 0.01688921 0.03605354 -0.03285430 0.09947436 0.01508457 0.01482126 0.01485322 +C 2.62679428 7.36620290 6.44196253 0.00560207 -0.00184732 -0.00593722 0.04250412 -0.03069168 -0.04168032 0.00331662 -0.00325287 -0.00361459 +H 3.14093568 4.34383170 4.71177670 -0.00034898 0.03399768 0.00880928 -0.15530948 0.00862833 0.00331571 -0.03198688 -0.01896705 -0.00525371 +C 3.97222701 7.74529697 6.46488825 0.00400805 0.00444652 0.00448224 0.03679375 0.02009241 0.01392260 0.00503604 0.00608247 0.00140108 +H 1.88532897 7.95493156 6.83306657 0.00516960 0.00257483 -0.01719923 -0.00842379 0.07399253 -0.06114527 0.02538496 -0.01230404 -0.01707847 +C 5.01519569 6.93161392 5.92457614 0.00070004 -0.00375353 0.00020436 -0.02081547 -0.00148233 0.01792375 -0.00412813 0.00307751 0.00433023 +H 4.25947555 8.62542285 6.85322581 -0.01552484 0.01550920 -0.00848545 -0.09666388 0.19406359 0.01577944 -0.01599765 -0.02320506 -0.01113304 +C 4.65121846 5.68206357 5.35891893 -0.01117632 -0.00303908 -0.00193936 -0.05076122 -0.00568081 -0.02219553 -0.00168967 0.00273811 -0.00481990 +N 6.28135082 7.51106424 6.00417568 -0.00236407 0.00669394 0.00034608 -0.00050149 0.03040026 -0.00236398 0.00061339 -0.00247087 -0.00175845 +C 3.28483326 5.27751877 5.27195316 -0.00090367 -0.00125698 -0.00642448 -0.00520744 0.01731658 -0.01916778 -0.00386536 0.00395268 0.00086009 +H 5.46665582 5.08456522 4.96622132 -0.01366754 0.01181913 -0.03341207 -0.17143506 0.02571347 -0.22747966 -0.02492792 -0.00469820 -0.02513033 +C 7.49314692 6.93033957 5.90071787 -0.00411105 -0.00498225 0.00232733 -0.03742715 -0.07769214 -0.00577407 -0.00368599 -0.00930980 -0.00218227 +H 6.35633799 8.53752621 6.16183999 -0.00193922 0.00888902 -0.00130752 -0.06360631 -0.01254322 0.02344877 -0.00794165 0.01523388 0.01193591 +O 7.66430512 5.71898014 5.57330624 0.00208746 -0.00174695 0.00096029 -0.00001739 -0.00166462 0.01355397 -0.00230094 -0.00148094 0.00217947 +C 8.72335933 7.64658298 6.07648238 0.00454476 -0.00051354 -0.00112586 0.03591985 0.03432897 0.01333083 0.00642105 0.00736474 0.00455012 +H 8.74208736 8.14462648 7.01614554 0.00109724 0.01986246 0.00664902 -0.02420205 0.13900600 -0.02279758 -0.00821287 0.01055835 -0.01902605 +H 9.53369721 6.99204973 6.10396626 -0.00239652 0.02121436 0.01568751 0.14639821 0.00076501 0.08483098 0.00445845 0.01115861 0.00389793 +H 8.90075553 8.29856648 5.24109106 -0.00488315 0.00579598 0.01003782 -0.02030804 0.10635651 0.01489888 -0.00062269 0.01013502 0.00304955 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92314436 5.80575659 5.79379778 0.00186942 -0.00138796 0.00151115 0.02800269 -0.01085187 0.01965968 0.00577461 0.00121550 0.00464544 +C 2.29472589 6.08025069 5.94785017 0.00217179 0.00841929 0.00458320 -0.02340584 0.04749788 0.00701972 -0.00685491 0.00111209 -0.00379366 +H 0.64526777 4.88716367 5.62015200 -0.00133854 -0.01484826 -0.00396019 0.10812248 0.02191454 -0.01891690 0.01984359 -0.02202170 -0.01044702 +C 2.66262402 7.38295421 6.45187662 -0.00509747 -0.00243219 0.00342151 -0.01485039 -0.02737099 0.03221654 -0.00164288 -0.00020252 0.00772869 +H 3.01606609 4.25669881 4.98247604 -0.00377259 -0.01232305 -0.01772263 -0.04933523 0.03203894 -0.08853107 -0.00885626 0.02157244 -0.00390558 +C 4.03413802 7.78759712 6.50838500 -0.00553562 0.00033438 -0.00009591 -0.04961252 0.00333116 -0.01310803 -0.00686805 0.00119088 -0.00395708 +H 1.87962875 7.93120694 6.86836536 0.02136523 0.00518117 0.00714294 0.03869116 0.16302590 0.04626953 0.01252539 0.00741584 -0.01115274 +C 5.00445392 6.93286953 5.98257419 0.00220163 0.00619488 -0.00008548 -0.02568449 -0.01236470 -0.01624352 -0.00688392 -0.00720573 -0.00356207 +H 4.34316289 8.71725113 6.88237881 -0.00269915 0.02498051 -0.02751871 -0.11379615 0.09701918 -0.11636260 -0.03098302 -0.01716623 -0.00821779 +C 4.53778771 5.65964191 5.40765829 0.00054555 -0.00071551 -0.00611509 0.07426160 0.02292377 -0.02910480 0.01251981 0.00518244 -0.00183106 +N 6.29741504 7.37554640 6.04213941 -0.00346215 -0.00264492 0.00057694 0.00160046 -0.00294653 -0.00356313 0.00206378 0.00249253 -0.00126219 +C 3.24081319 5.22375536 5.38080516 -0.00100652 -0.00205913 -0.00326502 -0.01299679 -0.00509979 -0.01170886 -0.00026371 0.00344045 0.00027294 +H 5.38613754 5.06283177 5.02614579 0.01994011 -0.00607374 -0.00804416 -0.06688913 -0.03628742 -0.04988973 -0.00753052 -0.01486961 -0.01554717 +C 7.53214641 6.87582697 5.82298849 0.00325245 0.00826944 0.00303733 0.00422369 -0.00973071 0.02815721 -0.00110680 -0.01136538 0.00431664 +H 6.39224395 8.35220809 6.29671001 -0.01758388 -0.01914284 -0.00869744 -0.12396375 0.02230089 -0.01537444 -0.00952797 0.01408498 0.00118264 +O 7.79720321 5.68327471 5.66746690 0.00247658 -0.00946716 0.00165323 0.00665568 -0.04385706 0.00921344 -0.00077138 -0.00181577 0.00128395 +C 8.67247816 7.80665241 5.96112563 -0.00400884 0.00541650 -0.00157109 0.01363580 0.04423576 -0.00882503 0.00490922 0.00679324 -0.00207484 +H 8.72325742 8.28046467 6.95866139 0.01985418 -0.02470527 0.00586699 0.06847554 -0.12609734 0.03218074 0.00037783 0.00066720 0.00827769 +H 9.66672896 7.35018767 5.79916605 0.02058140 -0.01857184 0.00675161 -0.11258367 -0.05964921 0.02278379 -0.02430048 -0.00774604 -0.00646705 +H 8.55298846 8.59244385 5.24685155 0.01187620 -0.00460680 -0.01098177 0.08918157 0.03930031 -0.08273933 0.01413456 0.00552056 0.00426542 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94337728 5.86229556 5.87045433 0.00615650 0.00044622 0.00931448 0.03590864 -0.00220827 0.04556928 0.00104709 -0.00099772 0.00465541 +C 2.30330175 6.02957486 5.73425758 -0.00488470 0.00189849 -0.00194865 -0.02963447 0.02287991 -0.01704144 -0.00028010 0.00504809 -0.00324086 +H 0.58304476 6.22547398 6.67247723 -0.01661448 -0.03486678 -0.01236433 -0.09766603 -0.20075887 0.07233807 0.00975387 -0.02762660 0.01019262 +C 2.88089526 6.26508340 4.48125462 -0.00361473 0.00606733 -0.00569840 -0.01146073 0.01739081 -0.04586705 0.00104691 -0.00188108 -0.00230697 +H 2.62852792 6.00752184 7.88735560 -0.01930840 0.02988479 -0.00479131 -0.07726871 0.11720852 -0.11323514 -0.01138631 -0.00180813 0.00220448 +C 4.30644304 6.46708823 4.36937442 0.00089235 -0.00536436 0.00014514 -0.01439022 -0.03367328 0.00839417 -0.00445337 -0.00307899 0.00160454 +H 2.23521630 6.17711556 3.56090115 -0.01709562 -0.03620144 -0.00329550 0.01673631 -0.13635829 0.06887799 -0.00021426 -0.00303744 -0.01580780 +C 5.07912887 6.55514795 5.57483346 -0.00148232 0.01021291 -0.00301877 -0.00108205 0.05902038 -0.02607315 0.00130695 0.00537473 -0.00244112 +H 4.76346832 6.52803637 3.38355093 0.01317609 -0.00691188 -0.00152254 0.03344408 -0.01732127 0.05675244 -0.00225405 -0.00155696 0.00696438 +C 4.47030464 6.31716317 6.81614992 -0.00529985 -0.00315366 -0.00110542 -0.02232162 0.00293715 -0.00137321 -0.00158951 0.00382826 -0.00258477 +N 6.41796665 6.93417811 5.44407456 0.00738010 -0.00207432 -0.00700558 0.04934299 -0.01102330 -0.04370783 0.00475007 -0.00090554 -0.00383782 +C 3.08653015 6.07165313 6.87868308 -0.00297141 -0.00499707 -0.00635264 -0.01900760 -0.02430003 -0.01710400 -0.00188753 -0.00095655 -0.00130515 +H 5.03150099 6.51884049 7.72892798 0.01078485 0.01784601 0.01966613 -0.07343321 -0.02933740 -0.02973006 -0.01493652 -0.01921032 -0.00472316 +C 7.46020626 7.12740509 6.29174321 0.00228051 -0.00879779 0.00819962 0.00132990 -0.04531155 0.04435807 -0.00076232 -0.00309928 0.00110700 +H 6.65624762 7.19352765 4.49125233 -0.01629019 0.03363083 0.00445137 -0.04110688 0.18951414 0.01087061 0.01075486 0.01585446 0.00000910 +O 7.37386650 6.98542616 7.51992914 0.00554568 0.00442577 0.00327111 0.03679430 0.02397237 0.02411599 0.00430303 0.00199637 0.00469204 +C 8.74409491 7.72302588 5.71978923 -0.00444105 0.00014863 0.00009986 -0.02650619 -0.01888671 0.00148021 -0.00410562 -0.00274220 -0.00111772 +H 9.61892574 7.14813084 6.06592565 0.00703904 -0.00460330 0.00048160 -0.02578315 0.05206756 0.00143847 -0.00184991 0.00518804 -0.00215216 +H 8.80746568 7.64782314 4.66796714 -0.02337826 0.01680263 0.00242610 -0.17752388 0.08279136 -0.06754512 -0.01945919 0.00675717 0.00878515 +H 8.78994388 8.77503077 5.93563470 0.00600489 -0.01659441 0.00787286 0.06949132 -0.01242953 0.13577026 0.00645817 -0.00753305 0.02204720 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.93869910 5.81247469 5.61632177 -0.00425405 -0.00578003 -0.00029733 -0.00773910 -0.02272863 0.00078665 0.00283073 0.00039448 0.00068459 +C 2.24060593 6.18929751 5.82399633 0.00739897 0.01144746 -0.00448083 0.02269621 0.01628698 -0.03761296 -0.00400734 -0.00715208 -0.00603296 +H 0.95892629 4.87914527 5.32508380 0.00458463 0.00468529 0.00057707 -0.05572535 -0.01112954 -0.00334980 -0.01804775 -0.01864534 -0.00458665 +C 2.67432863 7.50517196 5.96360808 -0.00741642 -0.00791554 0.00295108 -0.03395241 -0.01672515 0.03929463 -0.00437716 0.00468915 0.00755261 +H 2.86407401 4.08864875 5.77665522 -0.01268826 0.02358739 -0.01361898 -0.02193151 0.11761755 -0.07632851 0.00065646 -0.00957042 -0.00714721 +C 4.03238617 7.84555060 6.22334577 -0.00420172 -0.00374362 -0.00147399 -0.05289021 -0.01094752 -0.00257829 -0.00927865 -0.00189574 -0.00002213 +H 1.96012926 8.29412638 6.06428842 -0.00490394 -0.03188217 0.00106732 -0.16188212 -0.08317082 -0.03830374 -0.02102850 -0.00130277 -0.00902722 +C 4.98926968 6.84511602 6.18719656 -0.00155224 0.00571529 -0.00218244 0.02178042 0.02509416 -0.01199232 0.00448857 -0.00053458 -0.00115493 +H 4.30168313 8.88105076 6.53483868 -0.00014718 0.01221598 0.00624370 -0.06987342 -0.06552509 -0.10405489 -0.01174571 0.00680605 -0.02337966 +C 4.60041704 5.50573840 6.02578776 -0.00214438 -0.00160527 0.00519202 -0.03107700 -0.01130061 0.02675123 -0.00444378 0.00167237 0.00305826 +N 6.32505764 7.32117349 6.30476952 0.00207709 -0.00019648 0.00522100 0.00994394 -0.01148356 0.01826781 0.00176733 -0.00179653 -0.00008273 +C 3.20504702 5.14679668 5.88863277 -0.00656807 0.00610152 0.00094323 -0.01431196 0.06005284 0.00174548 0.00337117 0.01000434 -0.00085377 +H 5.34795978 4.70718908 5.93531643 0.00160870 0.01453382 0.01081705 0.02007077 0.04778102 0.11696111 0.00202085 -0.00983255 0.01899038 +C 7.52703686 6.85396036 5.80752387 0.00019162 0.00024399 -0.00111219 0.00471228 0.00711243 0.00159339 0.00268900 0.00034443 0.00136014 +H 6.28175278 8.26291483 6.65685895 -0.00443751 -0.00004956 -0.00783357 0.10560308 0.01979511 -0.04584238 0.02768887 -0.00148475 -0.00473102 +O 7.74553673 5.70693627 5.38841486 0.00916604 -0.00162619 -0.00268150 0.05112654 0.00212634 -0.01482670 0.00490321 0.00279352 -0.00126513 +C 8.69945389 7.87609110 5.82878222 0.00868868 -0.00125952 -0.00114567 0.04104466 -0.01276738 -0.00231444 0.00140132 -0.00382087 0.00296487 +H 9.40050733 7.49084899 6.54559978 0.00612117 0.00068429 -0.01413398 0.13073203 -0.02066446 -0.03433813 0.01780479 0.00092334 -0.00794857 +H 9.28549281 8.00206317 4.87064078 -0.01603590 -0.01490276 -0.00493706 -0.15751139 -0.12761943 -0.05961542 -0.01510131 -0.01055559 -0.02729421 +H 8.49091922 8.88489481 6.15203180 -0.01415789 0.00435556 0.01214337 -0.11587633 -0.06738898 0.03648237 -0.00853403 -0.02137922 -0.00639748 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.09183621 5.65382499 5.76877944 -0.00130556 0.00052639 -0.00358195 -0.01624587 0.00349189 -0.02330431 -0.00479650 0.00172255 -0.00122596 +C 2.33324240 6.15896778 5.84623423 -0.00275968 -0.00058116 -0.00932818 -0.01116408 0.00848556 -0.05701678 -0.00023279 0.00281130 -0.00628322 +H 0.50710052 6.16569270 6.26770262 0.02571105 -0.02459369 0.01940152 0.03857620 -0.11334435 0.18310256 0.01191891 -0.02975694 0.00256649 +C 2.61020855 7.48014069 6.29951256 -0.00524035 0.00728130 0.00125580 -0.03192908 -0.00348299 -0.00902399 -0.00336390 -0.00716474 -0.00283911 +H 3.08035730 4.23888254 5.31972680 0.01785930 -0.01426854 0.02363642 0.10216323 -0.01991650 0.03689977 0.01145289 0.01565054 -0.00832909 +C 3.96274811 7.85246448 6.32669721 -0.00289295 -0.00314944 0.00392613 -0.02806164 0.00515951 0.01916065 -0.00266403 0.00287549 0.00039788 +H 1.73304261 8.10240379 6.53493361 0.01390867 -0.02371848 0.02377554 0.05992389 0.03457690 0.19840021 0.00262664 0.02428227 0.02208191 +C 4.95671500 6.96484519 5.94179379 -0.00109521 -0.00073005 -0.00485315 0.03276077 -0.01777804 -0.03849655 0.00723509 0.00119952 -0.00374228 +H 4.18415831 8.86246541 6.53101933 0.00027269 0.01776056 -0.00284708 0.00546883 0.00477568 0.06222587 -0.00304161 -0.02308898 0.02021418 +C 4.66414279 5.61427868 5.48735616 0.00798207 0.00460638 0.00009061 0.05018774 0.06442426 0.01273525 0.00406321 0.00898296 0.00286330 +N 6.29559511 7.43609109 5.92254337 -0.00015311 -0.00202793 0.00237439 -0.02809473 0.02134380 0.00761016 -0.00588518 0.00388366 0.00017300 +C 3.32954848 5.25966434 5.45681788 0.00695507 0.00333869 0.00982201 0.04858046 0.00147551 0.07492628 0.00683535 -0.00244133 0.01045039 +H 5.49110535 4.96219245 5.16697438 -0.00684945 0.00322731 0.01040388 -0.04951055 -0.05273784 0.07077097 0.00354041 -0.01304195 0.00735043 +C 7.45811293 6.81733805 5.99193079 -0.00270482 0.00159740 -0.00090369 0.00862978 0.00871831 -0.01218460 0.00284619 -0.00089764 -0.00225698 +H 6.39705549 8.43084143 5.74334998 -0.01977931 0.03708649 -0.01344671 -0.12756058 -0.04391994 0.03213477 -0.00953095 -0.00130666 0.01451234 +O 7.60345903 5.61688783 6.06842736 0.00112151 -0.00469011 -0.00166893 0.00750768 -0.03229088 -0.00713003 0.00094023 -0.00305424 -0.00053007 +C 8.71429220 7.72306607 5.82457275 0.00078082 -0.00330375 -0.00011731 -0.03174782 -0.02011854 -0.00583124 -0.00539506 -0.00356438 -0.00117817 +H 9.35273295 7.74265208 6.68721925 -0.01261763 -0.00799484 -0.03263456 0.06925431 -0.11608643 0.00402297 0.00877167 -0.02017229 0.00977192 +H 9.22257480 7.33455995 4.95683800 -0.02421223 -0.00019893 0.02215252 0.01898406 -0.06043630 -0.02880741 0.01324919 -0.00589388 -0.01210497 +H 8.47582393 8.76906629 5.60805311 -0.00145772 -0.00098218 0.00119041 -0.03214178 -0.03105191 0.00599947 -0.00710347 -0.00096444 0.00024452 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00716014 5.72427913 5.65858020 0.00759214 0.00781920 0.00364118 0.02980341 0.05073150 0.01872807 -0.00015238 0.00469720 0.00391426 +C 2.29357564 6.06661088 5.71962294 -0.00369252 0.00118520 -0.00400393 0.03029067 0.00619398 0.00053323 0.01129939 0.00096765 0.00288678 +H 0.76844301 5.14630607 6.32371507 0.00641605 0.02228370 -0.00250623 0.00140696 0.05944270 0.07340210 0.00635537 0.02278891 -0.01036456 +C 2.73964922 7.13793456 4.89527302 -0.00287341 -0.00457399 -0.00755833 -0.00040357 -0.01640860 -0.03032208 0.00395050 -0.00030107 0.00000551 +H 2.82395185 4.57636596 7.24840495 -0.00623033 -0.01265263 -0.01764148 0.03190080 -0.03865572 -0.04067535 0.01392683 0.00773020 0.00217401 +C 4.05113430 7.64867947 5.03089933 0.00493652 0.00320973 -0.00338450 0.01448541 0.00086436 -0.00415203 -0.00141214 -0.00319973 0.00105694 +H 2.07074845 7.74065523 4.27946735 -0.00709867 0.00345046 0.00475556 -0.07283191 -0.09357603 -0.00170744 -0.01230078 -0.02357843 -0.01015300 +C 4.97411363 7.00469596 5.92491238 0.00426530 -0.00419834 0.00148471 0.03132256 -0.00927483 -0.01577039 0.00355898 0.00013334 -0.00489226 +H 4.25252620 8.58329972 4.52793363 -0.02093282 0.00525615 -0.01527352 -0.00093215 -0.05022922 -0.10431359 0.02199162 -0.02009875 -0.00927546 +C 4.53222515 5.87942457 6.68060375 0.00351484 0.00278747 0.00480485 0.02733902 0.01598603 0.03853352 0.00444024 0.00058611 0.00652845 +N 6.31095825 7.52366628 5.88542186 0.00444377 -0.01103814 0.00326166 0.01514692 -0.07351124 0.01195095 -0.00297811 -0.00754950 -0.00014965 +C 3.18267653 5.43411789 6.69631118 0.00186249 -0.00617687 0.00242622 0.00142681 -0.01237752 -0.04250994 0.00107772 0.00211087 -0.01255664 +H 5.25786511 5.39520165 7.23941493 0.01971062 0.00963128 0.00569543 0.05728604 0.01230942 0.10612064 -0.02498243 0.00670972 0.00760017 +C 7.50943256 6.87309195 6.07056438 -0.00467907 0.00308651 0.00557178 -0.04561746 0.00484570 0.05903128 -0.00483455 -0.00241142 0.01006057 +H 6.46487161 8.40072299 5.44137455 -0.02111349 0.00740509 0.00468008 -0.14690243 -0.02971035 0.09190390 -0.00872013 -0.01601022 0.01983579 +O 7.61014498 5.75389072 6.57362030 -0.00127009 -0.00030160 -0.00307509 -0.01218960 -0.00306447 -0.02329999 -0.00213884 -0.00115217 -0.00304847 +C 8.78102179 7.58588955 5.75094168 -0.01256132 0.00320687 -0.00190724 -0.06943196 0.02923132 -0.02628580 -0.00690107 0.00446152 -0.00471307 +H 8.65691972 8.43828900 5.07230819 -0.02293719 0.00954586 0.00429237 -0.17065808 0.10626962 0.13257323 -0.02384028 0.02192773 0.02706886 +H 9.38849802 7.78113512 6.62249144 0.00582792 -0.00713361 0.00367323 -0.04256626 0.00200006 -0.03817602 -0.01917568 0.00753936 -0.01478622 +H 9.32841179 6.90569273 5.12446205 -0.00578807 0.01383505 -0.01140349 -0.02058282 0.06995939 -0.06309088 -0.00871158 0.01366196 -0.00441452 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03109920 5.64479763 5.92167075 0.00242669 0.00062605 0.00162754 0.00478461 0.00500835 0.01968875 -0.00041655 0.00073024 0.00272213 +C 2.31691425 6.01299383 5.96512478 0.00593600 -0.00629095 -0.00644992 0.03683697 -0.05773221 -0.02502900 0.00192652 -0.00988920 0.00141550 +H 0.61805210 5.29900982 5.11826151 0.01035827 0.01519701 0.01255594 0.08994290 0.11174360 -0.06504876 0.01269411 0.01787509 -0.01930816 +C 3.04857514 5.70568719 7.13117796 -0.00572464 0.00174876 0.00397053 -0.04386723 0.03036490 0.01575004 -0.00681350 0.00560907 0.00136339 +H 2.48250902 6.74385623 3.89361897 -0.01111304 0.00014926 -0.00855530 -0.06460913 0.00422290 0.10855380 -0.01054074 0.00616868 0.02615025 +C 4.38625877 6.02169692 7.27217976 -0.00562029 -0.00436545 -0.00839805 -0.02998268 -0.01765501 -0.08250733 -0.00353495 -0.00090496 -0.01241792 +H 2.55945699 5.35612150 8.02722506 0.01178901 0.02684186 -0.01943424 -0.10152081 0.02987622 0.04517291 -0.02604768 -0.00981804 0.01237038 +C 5.04879883 6.51332251 6.08403984 -0.00713832 0.00803634 -0.00181209 -0.01617376 0.04031459 0.03084061 0.00454729 0.00351255 0.00746895 +H 4.85284784 5.87677345 8.25835879 -0.00474359 0.00363400 -0.01271229 0.02049209 -0.01460727 -0.13913165 0.01254966 -0.00964949 -0.01392555 +C 4.32382751 6.83305993 4.92735335 0.00510156 -0.00895291 -0.00212639 0.02781382 -0.05894152 -0.02581675 0.00328690 -0.00650017 -0.00427257 +N 6.42418413 6.58569133 6.26089693 0.00268860 0.00377491 0.00050943 0.02493562 0.03303721 0.02749814 0.00196212 0.00499902 0.00637504 +C 2.96339796 6.56084510 4.83973865 -0.00121695 0.00418726 0.01106167 -0.00615976 0.02901511 0.04774080 0.00110819 0.00362589 0.00117554 +H 4.74301267 7.18972762 3.99853338 0.00558051 -0.00617406 0.01407319 0.17201061 -0.00123303 0.05131156 0.02931514 -0.00090923 0.00362254 +C 7.40590244 7.34786966 5.70756058 0.00085165 -0.00226924 0.00538903 0.00813859 -0.02864235 0.01212850 0.00163657 -0.00308138 -0.00481158 +H 6.73178116 6.19300098 7.14343417 0.02217448 -0.01534738 0.00562370 0.08145576 -0.10340905 -0.11513140 0.00579827 -0.02207055 -0.01685410 +O 7.21966693 8.03457614 4.73897839 -0.00141740 0.00105436 0.00054669 -0.01364067 0.01460086 0.00110502 -0.00227284 0.00220733 0.00089596 +C 8.86571646 7.18507880 6.20909503 0.00071285 -0.00447123 -0.00571857 -0.00399605 0.00475964 -0.03225498 -0.00093750 0.00258836 -0.00115415 +H 8.97467768 6.65805541 7.12215147 -0.01564287 0.01463197 -0.00066868 -0.07568511 -0.00425551 0.03587944 -0.00614559 -0.00162174 -0.01272596 +H 9.51267976 6.84368727 5.40466152 0.00972500 0.01006659 0.01524052 0.08067043 -0.09115743 0.04659285 0.00223141 -0.02654370 0.00407008 +H 9.28625787 8.17701328 6.36063096 0.00307130 0.01935901 0.00094977 -0.08232629 -0.00422970 0.02444068 -0.01896575 -0.00946851 0.00443429 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02536104 5.73658546 5.77624722 -0.00636947 0.00193942 -0.00232212 -0.03993978 0.01507866 -0.01561993 -0.00352903 0.00122850 -0.00258366 +C 2.31572598 6.09229808 5.89462541 0.00483425 -0.00474983 -0.00578270 0.01342769 0.01448806 -0.02830149 -0.00199940 0.00732187 -0.00257187 +H 0.85703938 4.86684947 5.41481536 0.01015675 0.01671060 0.01253491 0.04777301 -0.03754598 0.02916311 0.00204092 -0.00539362 0.00364324 +C 2.53303270 7.43482190 6.33237898 -0.00054144 0.00666130 0.00078050 0.02262162 0.01071480 0.00567645 0.00781261 -0.00430109 0.00061229 +H 3.09793313 4.27602934 5.17057163 0.00032539 -0.00679312 0.01177063 0.07304830 -0.11366818 0.05772343 0.01800897 -0.01772526 0.00487252 +C 3.87994706 7.78500807 6.56932120 0.00417703 -0.00112077 0.00366029 0.04351158 0.02627710 0.02697666 0.00803030 0.00705619 0.00317827 +H 1.76130114 8.17344729 6.55308634 -0.01485897 0.00267496 0.00310266 -0.05081692 -0.09561919 -0.00026932 0.00017306 -0.01966965 -0.00043148 +C 4.97389986 6.94906677 6.21044366 0.00503174 0.01014302 0.00364369 0.04477665 0.00988776 -0.01916965 0.00481228 -0.00762189 -0.00842590 +H 4.09445394 8.75807005 6.92776591 0.02791474 0.02255522 0.01343705 0.09001502 -0.00602166 0.05196660 -0.00405606 -0.01823699 0.00341942 +C 4.72353308 5.67539579 5.60801266 -0.00081234 -0.00854254 -0.00164778 -0.02279691 -0.02118590 0.02378932 -0.00245933 0.00144090 0.00744900 +N 6.33638095 7.35694986 6.25795211 0.00368327 -0.00266194 0.00190834 0.00854279 0.00282705 0.03082166 -0.00230082 0.00310240 0.00628639 +C 3.37624683 5.24365502 5.55197701 0.00206441 -0.00848797 -0.00022551 0.00772079 -0.05850268 -0.00787454 -0.00114343 -0.00687069 -0.00121295 +H 5.51208930 5.02344129 5.32766155 -0.00280374 0.00174745 0.00864922 -0.02314585 -0.08937047 0.00623925 -0.01796937 -0.00963964 0.00130047 +C 7.49936302 6.86866641 5.71820629 -0.00846544 0.00994823 0.00018103 -0.05239229 0.04087731 -0.01770434 -0.00339115 -0.00134878 -0.00636168 +H 6.49906247 8.16562666 6.84707085 -0.01312866 -0.00248154 0.01292449 -0.05583470 -0.02592648 0.04918556 0.00336214 0.00527805 0.00840408 +O 7.56875142 5.89156747 4.98016754 0.00139891 -0.00698275 -0.00322127 0.00963836 -0.02741358 -0.01238846 0.00057061 0.00091750 0.00072365 +C 8.77055329 7.59418552 6.13931151 -0.00558257 0.00050082 0.00097162 -0.04231958 0.01958402 0.01184416 -0.00708636 0.00724636 0.00180923 +H 9.43388990 8.02496559 5.37721199 -0.00559103 0.02448008 0.00335067 -0.05115605 -0.08394140 -0.01463380 -0.00808772 -0.03944214 -0.01577687 +H 8.50036187 8.51690179 6.59909542 0.01563412 0.00922889 -0.01139862 0.02658408 0.06429630 0.04856469 -0.00433477 -0.00702799 0.01709686 +H 9.18650298 6.94568575 6.96064019 0.00165349 -0.00294486 -0.01174490 0.13239809 0.04216127 -0.15492436 0.03526969 -0.00014249 -0.01454344 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.83528767 5.83505212 5.72466138 -0.00503154 0.00518236 0.00207960 0.00450240 0.04224630 0.02240078 0.00575313 0.00562212 0.00320590 +C 2.22089266 6.11042104 5.90257348 0.00418728 -0.00068760 0.00002508 -0.01175585 -0.01797268 -0.00381801 -0.00417193 -0.00328704 -0.00031745 +H 0.60874487 5.19486272 5.03780560 0.02026216 0.01517014 0.01471560 0.11048793 0.00801999 0.01133420 0.00741469 -0.00199439 -0.00017053 +C 2.60790737 7.11237237 6.73622101 -0.00553234 -0.00505259 0.00258669 0.00996204 0.00534064 0.02879827 0.00545958 0.00393756 0.00432857 +H 3.03589922 4.52990251 4.75350410 -0.03028434 0.00311449 0.00379581 -0.15860489 -0.02233091 -0.03991096 0.00208824 0.00194054 -0.00996861 +C 4.00839848 7.54113633 6.86812967 -0.00003305 -0.00121172 -0.00303218 -0.05399346 -0.01660808 -0.03016137 -0.01055119 -0.00278779 -0.00617577 +H 1.80486697 7.69946745 7.20708274 0.01494210 -0.01168421 0.00006368 0.03775231 -0.03397863 0.10477652 -0.00647268 0.00541789 0.02768494 +C 5.00509915 6.91868047 6.09345105 -0.00198241 -0.00114588 0.00099367 0.01222593 -0.01181356 0.00961951 0.00300216 -0.00155871 0.00210666 +H 4.13843492 8.40106094 7.55039949 -0.01042592 0.00082727 -0.03084199 0.05521714 0.04361125 -0.17459710 0.01858371 0.01445639 -0.00986686 +C 4.63353992 5.80284431 5.31564976 -0.00004169 0.00000018 0.00022732 -0.00589492 -0.01382024 0.01637409 -0.00196228 -0.00349300 0.00442587 +N 6.35322885 7.37739648 6.17122650 -0.00237751 0.00561266 -0.00168777 -0.01760985 0.05823709 -0.00536023 -0.00123791 0.00793402 -0.00070985 +C 3.25040594 5.40910957 5.30622614 0.00277963 -0.00336276 -0.00418208 0.02466075 -0.03777289 -0.05138447 -0.00021347 -0.00682008 -0.00927408 +H 5.44057645 5.18715792 4.87488498 0.00510106 -0.01443375 0.00809480 -0.10106958 -0.01879898 -0.00702909 -0.00906171 -0.00280358 -0.01877054 +C 7.56543678 6.93155325 5.77081029 -0.00175305 -0.00483631 0.00262779 -0.01246344 -0.04914212 0.01512525 -0.00154964 -0.00466243 0.00214970 +H 6.40194330 8.28824504 6.58882466 0.00831391 0.01455199 0.01337778 0.04740001 0.01504156 0.03519626 0.00264943 0.00118844 0.00028428 +O 7.70713392 5.75735362 5.38527594 0.00435378 -0.00186411 -0.00053583 0.02736748 -0.00729039 -0.00344705 0.00313229 -0.00141165 -0.00061687 +C 8.83743142 7.79892803 5.81101726 0.00202383 0.00489034 -0.00081819 -0.01181336 0.03085077 -0.00164347 -0.00380050 0.00093967 0.00154923 +H 9.64962243 7.15045169 6.10858621 0.00332216 0.02229142 -0.02861988 0.11240653 0.08271529 -0.14171574 0.00768607 0.00653740 -0.00791631 +H 8.96636951 8.16421978 4.76673384 0.02965568 -0.01584725 -0.00162262 0.19233909 -0.01243583 0.05994899 0.01562897 0.02396566 0.00604218 +H 8.79200828 8.63566483 6.50200340 0.00709947 -0.00873589 0.03871717 0.02766246 -0.10401438 0.12928790 0.00193965 -0.01450023 -0.00416224 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00178488 5.76694606 5.97325043 0.00073210 0.00331609 0.00720231 -0.00195194 0.02161604 0.04189244 -0.00295247 0.00378495 0.00252571 +C 2.33002969 5.96899076 5.92626027 -0.00123515 -0.00321054 -0.00121985 -0.00963257 -0.02971254 0.02927696 -0.00114354 -0.00337382 0.00540882 +H 0.62460149 6.15081485 5.23239243 0.01428033 -0.00595184 0.01368357 -0.02997474 -0.00331114 -0.00837266 -0.00325673 -0.01248391 0.02086864 +C 2.99262797 5.62185602 7.14030334 -0.00380266 0.00232860 -0.00519854 -0.02353104 -0.00141425 -0.03674744 0.00106928 -0.00182168 -0.00650280 +H 2.42763453 6.70064624 3.92089599 -0.00935862 -0.00602681 0.00005046 0.04286436 0.00202601 0.02327830 0.00749196 0.01216069 -0.01194501 +C 4.36681236 5.83020134 7.13003643 -0.00024067 -0.00291232 -0.00710976 0.00029026 -0.01082488 -0.00975508 -0.00136148 0.00044345 0.00328577 +H 2.50405119 5.15507523 8.02521269 -0.02155885 -0.02943440 0.02150225 -0.01802637 -0.00368861 -0.17395063 -0.00586580 0.00686447 -0.02542230 +C 5.04263815 6.57418318 6.15041215 -0.00218352 -0.00012123 -0.00061223 0.00145877 -0.02331186 -0.01038223 0.00326752 -0.00645875 -0.00242763 +H 4.89104783 5.49644219 8.02868679 -0.00382635 0.01762425 0.00367239 -0.00669484 0.10715751 -0.00125559 0.00676137 0.00480083 0.00717929 +C 4.35010337 6.80858832 4.96619917 0.01061969 -0.00369278 -0.00174100 0.05200519 -0.01461079 -0.02257942 0.00325745 0.00029578 -0.00529119 +N 6.40851373 6.75339374 6.34232921 -0.00526583 -0.00099364 -0.00286728 -0.00276855 -0.00589878 -0.00116476 0.00285813 -0.00074567 0.00314592 +C 3.00526087 6.50260173 4.84047521 0.00272634 0.00144336 0.00031232 0.00217691 0.00741626 -0.00448961 -0.00002143 -0.00028366 0.00113158 +H 4.78022175 7.23936609 4.06479015 -0.00351101 0.00185463 0.03457717 0.17183041 0.10905818 0.07154409 0.03677687 0.01676868 -0.00664758 +C 7.44574230 7.36616074 5.68202462 -0.00067642 0.00268860 0.01154511 -0.02935917 0.01145947 0.04705468 -0.00645010 0.00196105 -0.00207940 +H 6.78280452 6.21592096 7.12524363 -0.00707698 0.00331075 -0.00538706 -0.07384759 0.04530862 0.04150091 -0.00681189 0.00429451 0.02372767 +O 7.21466620 7.82531770 4.57523107 0.00277447 -0.00083167 -0.00247883 0.03090484 -0.00142289 -0.00621121 0.00580484 -0.00001939 0.00205924 +C 8.89792129 7.36488021 6.31437280 -0.00189863 0.00164004 -0.00262077 -0.03556901 0.01845725 -0.02856477 -0.00890642 0.00184776 -0.00661786 +H 9.36133638 6.36574798 6.18045189 0.00168329 -0.00020561 -0.00909923 -0.01682094 0.07114854 -0.02622430 -0.00302050 0.00316382 0.00204203 +H 9.49160655 8.16446449 5.78965053 0.02345377 0.00710212 0.00022620 0.04910283 -0.08812375 0.09538388 0.00339351 -0.00489719 0.00733974 +H 8.80080118 7.60661981 7.44166445 -0.01599813 0.00798187 -0.01517758 -0.03713367 0.02879615 -0.14086218 0.00213874 0.00797802 0.02237835 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01661214 5.80046512 5.92778904 -0.00497733 0.00199838 -0.00536454 -0.03953868 0.00279191 -0.04359515 -0.00491715 0.00171940 -0.00600417 +C 2.32475749 6.11770355 5.86337590 -0.00157992 0.00313938 0.00372804 -0.01576928 0.02024204 0.03731945 -0.00209675 0.00158867 0.00660038 +H 0.78973353 4.92141524 5.57141739 0.00893861 -0.01706059 -0.00267388 0.08772083 -0.00112764 0.02657526 0.00499169 -0.02419030 -0.00469314 +C 2.69988226 7.31534169 6.46154560 0.00280650 0.00440617 0.00775515 0.01638086 0.03549010 0.04827395 -0.00020666 0.00497925 0.00625270 +H 2.98932469 4.17512268 5.10319764 -0.02309618 -0.00135180 -0.02594609 -0.03428474 0.20208063 -0.22779824 -0.00040160 0.00505261 -0.04712976 +C 4.00441261 7.78328806 6.54056348 0.00350881 0.00086760 -0.00281904 0.02701985 0.00421301 -0.03641544 0.00280634 -0.00029469 -0.00671188 +H 1.95350055 8.01917946 6.80718512 0.02774753 -0.02547740 0.00291105 -0.05055826 -0.03378149 0.16397009 -0.02119518 0.00717685 0.03276575 +C 4.97316402 6.99543198 5.89800654 -0.00157682 -0.00491409 0.00056917 -0.00501690 -0.06558842 0.01647015 0.00380310 -0.01085406 0.00363616 +H 4.24639984 8.76700104 6.92609866 -0.00582884 0.00638129 0.00075497 -0.02940354 -0.01452570 0.01415929 0.00506163 -0.00628532 0.00178232 +C 4.59508381 5.67179525 5.46869936 0.00250374 -0.00734164 -0.00096655 0.05085232 -0.02484778 -0.03892994 0.00585375 -0.00138136 -0.00802852 +N 6.26954803 7.43130013 5.92520285 0.00057020 -0.00209482 -0.00378683 0.01716171 0.00871681 -0.01410647 0.00184942 0.00127185 -0.00067742 +C 3.27771121 5.25189464 5.36437530 0.00199689 -0.00235364 0.00273158 0.00111360 -0.03293998 0.03189019 0.00015654 -0.00005867 0.00703601 +H 5.44076885 5.18705911 4.92320172 0.00618355 -0.00514459 -0.01416452 -0.09764836 -0.17919424 0.03924974 -0.00114259 -0.04946669 0.00713878 +C 7.49183426 6.84287101 5.84156667 0.00047849 0.00562850 0.00322822 -0.01020731 -0.00895570 0.00609567 -0.00249623 -0.00539886 -0.00135406 +H 6.36945635 8.40092166 6.18526657 0.00113026 0.02234492 0.01237248 -0.03553775 -0.04054433 0.00738074 -0.00597929 -0.00418175 -0.00290914 +O 7.71646633 5.61988752 5.54726335 -0.00105017 -0.00086555 0.00075441 -0.01391167 0.02898312 0.01574317 -0.00275361 0.00771152 0.00342161 +C 8.62961795 7.79062899 6.10993397 -0.00346847 0.00242116 -0.00016400 -0.00815480 0.02022811 0.00164497 0.00289714 0.00058529 -0.00105934 +H 8.26048036 8.85768855 6.16101731 0.00435516 0.00574897 -0.01027415 0.10007615 -0.01457403 -0.10841403 0.00951969 0.01664607 -0.01114253 +H 9.17396841 7.61755647 7.03711025 0.01062673 -0.00874957 -0.01062484 -0.01690064 -0.08373053 -0.01834844 -0.01354285 -0.00895747 0.00556857 +H 9.36562264 7.56801705 5.36406373 0.00205116 0.01235283 0.00587307 0.01654264 0.16144134 -0.04928030 -0.00896371 0.02594459 -0.00689750 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01366184 5.70527625 5.90847511 0.00466632 0.00177027 -0.00292985 0.02508086 0.00899537 -0.03500916 0.00240096 0.00094395 -0.00498838 +C 2.35038158 6.01633851 5.98622077 0.00196000 -0.00723893 -0.00338058 -0.00414814 -0.04683930 -0.03293979 -0.00086085 -0.00554184 -0.00144781 +H 0.65258342 5.51049865 5.05138538 -0.00099966 -0.01103049 -0.02297666 0.09920096 -0.01497451 -0.01609241 0.01360535 -0.00238520 -0.01673672 +C 2.89755771 5.96169650 7.20432640 -0.00265609 0.00173067 0.00755930 0.00785797 0.00599992 0.07621301 0.00483780 0.00078801 0.00635578 +H 2.52657607 6.65657694 3.97831628 -0.01534430 -0.00022591 -0.00341762 0.01705974 -0.06755194 -0.04075009 0.00708551 -0.01579085 -0.02169907 +C 4.29248249 6.20227050 7.30392469 0.00164016 0.00468228 0.00672296 0.00916622 0.01607355 0.04139520 0.00213163 -0.00041926 0.00726288 +H 2.29690083 5.68154455 8.10166854 -0.02585650 -0.00713845 0.01361215 -0.02199011 -0.01763934 -0.05045769 0.00229826 -0.00671606 0.00769968 +C 5.04816487 6.59338380 6.15712366 0.00217712 0.00375336 -0.00061350 0.02762776 0.04334016 0.03369770 0.00228504 0.00813194 0.00832343 +H 4.76897172 5.99010899 8.19803296 -0.00381817 -0.02621778 0.01962992 -0.02193649 -0.03241720 0.10561504 -0.01019263 0.02461779 -0.01518567 +C 4.42868483 6.82717657 4.96377163 -0.00223668 0.00721638 -0.00197588 -0.01343822 0.04495326 -0.02960452 -0.00105846 0.00532881 -0.00616051 +N 6.36047458 7.04015640 6.37814926 0.00235921 -0.00007633 0.00299360 0.01046642 -0.01487756 0.02963774 0.00240143 -0.00350673 0.00571884 +C 3.11295499 6.44807339 4.87507174 -0.00169375 -0.00370002 -0.00173299 -0.05242274 -0.01569080 -0.02930781 -0.00914160 -0.00032170 -0.00560101 +H 4.90442751 7.27258892 4.17227554 0.00573571 0.00917349 -0.02571829 0.01331454 0.01185967 -0.11042236 -0.01636479 -0.01636292 0.01996736 +C 7.42183835 7.15086974 5.59600462 -0.00390522 -0.00318179 -0.00486323 -0.00868348 -0.01422924 -0.02849322 0.00183411 -0.00012029 -0.00149750 +H 6.60078290 7.13832839 7.32892656 0.01336497 -0.00340666 0.00329903 0.04905969 0.01700277 0.04064836 -0.00467943 0.00528761 -0.00648078 +O 7.47477516 6.85423441 4.41397304 -0.00429439 -0.00233696 -0.00487949 -0.03483922 -0.01715423 -0.03969442 -0.00554286 -0.00244115 -0.00614451 +C 8.66195390 7.66392832 6.28327556 0.00412925 0.00167820 0.00267924 0.01742261 0.01483198 0.03349097 -0.00150982 -0.00217632 0.00557070 +H 8.94219545 7.01008397 7.09655856 -0.00150471 -0.01643463 0.00927844 0.02512726 -0.09328090 -0.06972731 0.01037440 -0.00805380 -0.02880251 +H 9.52939206 7.76329008 5.54552110 -0.00361968 0.00318756 -0.00761647 -0.08271758 0.07227389 0.06197958 0.01022809 0.02090974 0.00078293 +H 8.37757194 8.63381862 6.80802436 0.00032858 0.00328303 0.04388745 0.13033912 -0.11622831 0.08507771 0.02180393 0.00343222 0.00509647 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01355524 5.79575557 6.04965125 -0.00585048 0.00349808 0.00075710 -0.05661266 0.00880243 0.00875387 -0.00848968 0.00127078 0.00134873 +C 2.28577037 6.17213977 5.94319448 -0.00469123 -0.00826722 0.00160754 -0.00998322 -0.03447678 -0.00456318 -0.00123695 -0.00037782 -0.00206926 +H 0.86251848 4.86095852 6.12553226 0.00782797 -0.02470655 -0.00468187 0.06435591 0.03473403 -0.05247393 0.00066508 -0.00716176 -0.00762598 +C 2.66105604 7.55305688 5.91934726 0.00118782 -0.00637097 -0.00214340 -0.01329743 -0.07024397 0.00802789 -0.00488025 -0.01113590 0.00444914 +H 2.99979640 4.14238386 5.68150004 0.02857469 0.01179778 -0.02125550 0.09067183 -0.00889647 -0.15701852 -0.00061883 0.02006103 -0.01305936 +C 4.02469807 7.85643460 5.97397946 -0.00549021 -0.00709858 -0.00386787 -0.02103285 -0.03572821 -0.01458613 -0.00258563 -0.00166344 -0.00004843 +H 1.91286919 8.27563078 6.10177351 -0.00207075 0.00693548 0.01053826 0.03700003 0.01131174 -0.00523608 0.01562540 -0.01662826 -0.01291356 +C 5.04537855 6.86212918 5.87637277 0.00182613 0.00371171 -0.00118773 -0.02328456 0.03137643 -0.02865164 -0.00513233 0.00508875 -0.00663158 +H 4.34373218 8.85732296 6.18189228 -0.01871415 0.00630187 0.01421982 -0.17329514 -0.00895434 0.01077175 -0.02178224 -0.00896238 -0.01241440 +C 4.63151138 5.50507648 5.57165077 0.00039042 0.00575213 0.00363461 0.02477056 0.05702859 0.03251121 0.00360584 0.00846742 0.00517833 +N 6.31098567 7.42709502 5.93331603 -0.00137232 0.00093744 -0.00612407 -0.00406226 0.01396562 -0.03530149 0.00058843 0.00414978 -0.00309330 +C 3.26204214 5.15419111 5.71332779 -0.00277867 0.00845439 0.00405616 0.00933147 0.05627767 0.02183645 0.00691488 0.00244646 0.00062261 +H 5.44594346 4.85810429 5.32507339 0.01707326 -0.01424291 -0.01653567 -0.13088695 -0.07230285 -0.00604296 -0.03775461 -0.00035500 0.01503211 +C 7.48919195 6.87864563 5.87948141 0.00616808 0.00371244 -0.00022011 0.03129977 -0.00476062 0.00793472 0.00109092 -0.00381665 0.00205405 +H 6.40203730 8.37590804 6.16951847 0.00088866 -0.00234395 0.01903172 -0.08045177 0.01157169 0.07871721 -0.01897786 -0.01108348 -0.00454817 +O 7.62595307 5.67723633 5.71652920 0.00037919 -0.00034471 0.00037700 0.01392018 -0.00375805 -0.00122849 0.00359214 -0.00085849 -0.00071183 +C 8.65940468 7.74847753 6.24030059 0.00638588 -0.00185441 0.00144568 0.04436603 -0.01318768 0.01698297 0.00753712 -0.00285051 0.00120195 +H 8.27400446 8.77673547 6.45269820 0.03083465 0.00722313 0.00036881 0.27535725 -0.00229171 0.03783612 0.03329560 0.00757330 0.01524912 +H 9.21901172 7.31449723 7.09272454 0.00863516 -0.02661648 0.00208722 0.00980021 -0.08434510 -0.06200303 0.00390700 -0.00456366 -0.00271940 +H 9.25810176 7.74197842 5.32781581 -0.00286579 -0.00406420 0.02370727 0.13902879 0.00846338 0.05597159 0.03188219 0.00268811 -0.00080608 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02262242 5.74310683 5.87774601 0.00244817 -0.00083966 -0.00313901 0.00246262 -0.00965811 -0.03409911 -0.00002512 -0.00142955 -0.00378848 +C 2.31690495 6.03673835 5.96008608 0.00465914 -0.00457251 0.00035553 0.03344731 -0.03795785 0.00163468 0.00405349 -0.00591045 0.00015553 +H 0.72693418 5.64021270 4.97074179 0.02414842 -0.01536376 -0.03110177 0.17001946 -0.07644927 -0.01947185 0.00987025 -0.01354578 -0.01631556 +C 2.96828261 5.90261110 7.18772526 0.00802943 -0.00157199 0.00224242 0.05188214 -0.00283583 0.02239197 0.00433224 0.00098693 0.00266427 +H 2.60818327 6.36975307 3.76499380 -0.00530020 0.00942586 0.00104320 -0.09891924 0.12237268 0.08162962 -0.02847021 0.02640558 -0.00404991 +C 4.39500206 6.05775855 7.29060145 -0.00353942 0.00539818 -0.00154987 -0.03211557 0.04268645 0.01207434 -0.00239346 0.00692846 0.00158886 +H 2.34371396 5.70598701 8.06958544 0.01216447 0.02138250 0.01301433 0.13777755 0.09484574 0.05310084 0.01397783 -0.00045000 0.01304034 +C 5.11951485 6.38764153 6.12593603 0.00044286 -0.00106233 -0.00032739 -0.02515494 -0.00350208 0.00711026 -0.00734439 0.00009213 0.00172685 +H 4.74291317 6.03351967 8.33504469 0.01267305 0.01961190 0.02710609 0.11563482 0.06347773 -0.13192679 0.02348081 -0.00168042 -0.02572504 +C 4.43392146 6.63429032 4.94514235 -0.00440297 0.00083856 0.00263246 -0.03681030 -0.00084812 -0.00986876 -0.00492842 -0.00067492 -0.00458767 +N 6.46734225 6.46016737 6.16916632 -0.00588401 -0.00476639 0.00132303 0.00473890 -0.01550651 0.02335372 0.00713813 0.00030514 0.00574541 +C 3.02563828 6.35465230 4.80478688 -0.00911279 0.00618411 -0.00246038 -0.01403664 0.05061720 -0.01669166 0.00445947 0.00729465 0.00089676 +H 5.07961713 6.91030798 4.12729120 0.02240968 0.01355680 0.00974133 -0.06297504 0.04860251 0.01110012 -0.03426646 0.00142422 -0.01256986 +C 7.37521834 7.33720713 5.69180188 0.00220655 -0.00544353 -0.00664965 -0.00384124 -0.03245320 -0.06481781 -0.00174080 -0.00584264 -0.00827373 +H 6.87902580 5.89959313 6.88438418 -0.00007175 0.03779420 0.01035811 0.00716218 0.12025400 0.15076119 -0.00646799 0.00473698 0.01433054 +O 7.12535755 8.24817721 4.88065804 -0.00255257 -0.00170167 0.00536822 -0.02372631 -0.01567286 0.03772458 -0.00462007 -0.00166543 0.00400007 +C 8.79732368 7.21573894 6.12963862 0.00291977 0.00167991 -0.00221414 0.03412612 -0.00112892 -0.00246505 0.00347412 0.00085217 0.00352036 +H 9.22321842 6.17943306 6.09445259 -0.00555964 -0.00978843 0.01320360 -0.08135706 0.02160595 0.04721576 -0.00097890 -0.00848862 -0.00221391 +H 9.53082004 7.89305096 5.67338835 0.00599868 0.00972066 0.00875322 -0.03030471 0.02516867 -0.03381226 -0.00588102 -0.00370594 -0.01975039 +H 8.79342785 7.52485288 7.13568617 0.00262769 0.00294699 -0.01090464 0.02527516 0.02394929 0.06265404 0.00431939 -0.00421439 -0.00243150 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00409713 5.72510631 5.82180552 0.00158627 -0.00746680 -0.00174926 0.00626463 -0.04668460 -0.00451602 0.00099384 -0.00607437 0.00020738 +C 2.29192813 6.07133846 5.98685213 0.00210496 -0.00108334 0.00034737 0.01730933 0.00751802 0.00542491 -0.00166719 0.00268328 0.00221504 +H 0.87002226 4.97168772 5.23264335 0.01076761 0.00692716 0.00729500 0.05811303 -0.04039679 -0.03711501 0.00575807 -0.01086434 -0.01131272 +C 2.68484768 6.98700617 6.98278966 -0.00260346 -0.00113227 -0.00225042 -0.02189014 -0.01174361 -0.01222162 -0.00230978 -0.00206247 -0.00089210 +H 2.84126589 5.07496970 4.22204337 -0.00067219 0.03543916 0.01286043 0.06691471 0.15178136 -0.06599516 0.00657952 0.00054329 -0.03054741 +C 4.07276455 7.27518626 7.08398762 -0.01534373 0.00490624 -0.00181154 -0.07843453 0.05292062 -0.00059634 -0.00249016 0.00852851 -0.00060152 +H 1.89963163 7.47356677 7.61295482 0.01428635 -0.00246352 0.01451303 0.12188893 -0.06117793 0.07936627 -0.00650509 -0.00496975 0.01986327 +C 5.03447132 6.71511901 6.24590695 -0.00048730 -0.00462296 -0.00101885 -0.00439769 -0.00350146 -0.00043085 -0.00332763 0.00464226 0.00195390 +H 4.34588603 8.04312434 7.76402695 0.01258615 0.02864477 -0.00381284 0.00396702 0.03550491 -0.02596289 -0.01808274 -0.01592870 0.00020726 +C 4.60199762 5.99777235 5.16044052 -0.00089218 0.00090588 -0.00254247 -0.00332580 -0.00364998 -0.02792098 -0.00066127 -0.00175436 -0.00386582 +N 6.36310888 7.11111588 6.37377677 -0.00003312 -0.00147238 0.00223065 -0.00248830 -0.00932521 0.02571120 0.00242773 -0.00018058 0.00517912 +C 3.27586790 5.68108759 5.03470081 -0.00469865 0.00881478 0.00720073 -0.05901135 0.04129498 0.03929611 -0.00660332 0.00282550 0.00074112 +H 5.24607946 5.71121305 4.35582717 0.01063856 0.00363423 0.01119212 0.07543439 -0.05160993 0.03475942 -0.00218680 -0.01568681 0.00016438 +C 7.44248478 6.98330963 5.64946923 0.00331353 0.00099908 -0.00094825 0.05341375 -0.00310716 -0.02113739 0.00868848 -0.00183703 -0.00260245 +H 6.57647884 7.52645564 7.25737329 0.01154689 -0.00408498 -0.02468635 0.04197898 0.09350876 0.00880134 -0.00992690 0.01578406 0.00528813 +O 7.51072889 6.37239184 4.57508164 -0.00219777 -0.00158889 -0.00280244 -0.01373644 -0.00505055 -0.01324176 -0.00110036 0.00011840 -0.00130680 +C 8.74354283 7.63779504 6.20246854 0.01134283 -0.00013499 0.00468235 0.05509577 -0.00530812 0.00482236 0.00283148 -0.00052650 -0.00052347 +H 9.62350975 6.91440910 6.16049598 0.01040192 0.02389706 0.01171186 0.07814704 0.13031564 0.02061323 0.03081615 -0.00915563 -0.01116686 +H 8.93138323 8.54532510 5.62141106 0.00392837 -0.00044578 -0.02207740 0.06697540 -0.07669750 -0.05413066 0.01479076 -0.00793257 0.00738298 +H 8.59605652 7.96565547 7.20786812 0.02323746 -0.03045548 -0.00934682 0.13115733 -0.11730862 0.11632476 0.01271758 -0.00368288 0.00820481 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96962352 5.74567016 5.87470564 -0.00332383 0.00399493 0.00248308 -0.02046144 0.03260537 0.01425949 -0.00133588 0.00693374 0.00230582 +C 2.24474820 6.21284190 5.87795919 0.00184781 -0.00422107 0.00153642 0.03279170 -0.04038857 0.01329490 0.00385399 -0.00468931 0.00376077 +H 0.91140692 4.86601278 5.44343706 -0.00303427 0.00933373 -0.01103518 -0.06223638 0.10544811 -0.04715120 -0.01771760 -0.00813433 -0.01720337 +C 2.63735735 7.46484758 6.37871476 -0.00214376 0.00244270 0.00138179 -0.02202620 0.00909700 0.01219358 0.00050418 -0.00568753 -0.00059168 +H 2.97860442 4.31311752 5.28214267 0.00165019 -0.03057061 -0.00432993 0.04886255 -0.05500671 -0.10704714 0.01218345 0.03431303 -0.01735713 +C 4.02333322 7.69931854 6.53307147 -0.00641430 -0.00159916 0.00069034 -0.02464614 -0.00434944 -0.02072186 0.00149663 0.00080172 -0.00622899 +H 1.86779175 8.25757692 6.72250950 -0.00348422 0.02366509 -0.00798706 0.08908713 -0.04053332 -0.08694359 -0.01938579 0.01165724 0.00401541 +C 5.01359565 6.86236796 5.97452062 0.00730856 -0.00299126 -0.00668029 0.02802518 -0.01917579 -0.01411186 -0.00257422 -0.00109232 0.00361133 +H 4.35468090 8.63430355 6.92924900 0.00895880 -0.00656501 -0.00947261 -0.02036649 0.01384444 -0.00728382 -0.01776578 0.00070472 0.00186521 +C 4.67138264 5.55691943 5.50079684 -0.00146181 -0.00424353 0.00170105 -0.01675654 0.00791544 -0.00447145 -0.00158386 0.00447477 -0.00489529 +N 6.30772755 7.38893486 6.11574392 -0.00019807 -0.00035239 -0.00147844 -0.00043331 -0.01856048 -0.02803281 0.00206474 -0.00451901 -0.00676709 +C 3.28093186 5.28086687 5.47366879 -0.00005606 -0.00119215 0.00280396 -0.01415929 -0.03080488 0.02741673 -0.00225935 -0.00983737 0.00363688 +H 5.37564856 4.89350795 5.09836730 -0.00160391 0.02208798 -0.05308697 -0.02798277 0.07907009 -0.21337421 -0.02253114 0.01264307 0.00976666 +C 7.49959788 6.86741913 5.80991503 0.00396650 0.00615645 0.00132322 0.02017512 0.01524120 -0.00421086 0.00070805 -0.00200573 -0.00216824 +H 6.28934704 8.38064991 6.44059082 0.01315781 -0.01813105 -0.03077135 0.11127922 -0.00291639 -0.13430999 0.00894770 0.02198326 -0.00345842 +O 7.70905945 5.72771200 5.34299264 0.00033616 0.00120835 0.00052326 0.00024248 0.02467006 0.01015927 0.00006532 0.00531641 0.00213431 +C 8.64696566 7.80674199 6.09104005 -0.00064927 -0.00183680 0.00197880 0.02046794 -0.00782174 0.02764240 0.00625026 -0.00069121 0.00483371 +H 8.91985906 8.50272551 5.27820976 -0.00289194 0.01370636 0.02963293 -0.12947152 0.11950877 0.12512336 -0.02457373 0.01595347 -0.00010708 +H 8.38876073 8.33665658 7.03657603 -0.01104866 0.00648721 0.00180199 0.03932381 0.01333673 -0.03926844 0.01479560 0.00181957 0.00918441 +H 9.58049312 7.28650965 6.19280329 0.01989849 -0.00851681 0.00165129 -0.00601008 -0.04640076 0.07096160 -0.01868698 0.00056510 0.01351791 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04495630 5.83793661 5.86646486 0.00022484 -0.00405837 0.00567997 -0.00708523 -0.01597163 0.03304792 -0.00378537 -0.00249307 0.00427801 +C 2.36520846 6.14826141 5.84371650 0.00114671 -0.00097295 -0.00383662 -0.02975074 -0.01368111 -0.02274370 -0.00652241 -0.00110667 -0.00285339 +H 0.77791494 4.95217946 6.05766523 -0.01695883 0.02711068 0.00876650 -0.06567739 -0.01053064 0.11528206 0.01170526 0.00145652 0.01542253 +C 2.67082255 7.43287451 5.47425195 0.00058623 0.00077373 -0.00030879 0.01323043 0.03141947 -0.02195984 0.00294215 0.00439643 -0.00390065 +H 3.05928990 4.18814318 6.41971896 -0.00174768 -0.01606497 -0.00342347 -0.02477239 0.00566527 -0.02983396 -0.00065438 0.01927234 -0.00676568 +C 4.00560756 7.82045511 5.53508749 0.00221619 -0.00076450 -0.00491391 0.02402190 0.00233738 -0.01618697 0.00323974 0.00279286 -0.00075994 +H 1.99075502 8.15953089 5.03350802 -0.00815005 0.02686031 0.00174987 -0.04267526 0.01177700 0.16258299 -0.01100611 -0.00837314 0.03079908 +C 4.96649334 6.88978509 5.99513883 0.00273820 0.00711281 0.00704184 0.02124675 0.04836410 0.01670645 0.00172763 0.00349978 -0.00187437 +H 4.35327771 8.81874510 5.35332497 0.00095554 0.01213032 -0.01454255 -0.09632275 0.00462092 -0.13852771 -0.01935626 -0.01105932 -0.01860638 +C 4.66937745 5.53921781 6.17984786 0.00812356 0.00668173 -0.00032618 0.02904263 0.02920196 0.01657729 -0.00162053 0.00179154 0.00422723 +N 6.23143132 7.42708794 6.04155491 -0.00516078 -0.00871664 -0.00090224 -0.01886222 -0.03974636 0.01366805 0.00266925 -0.00300372 0.00385336 +C 3.30853311 5.19506774 6.19837482 -0.00198170 0.00325228 -0.00454015 0.01645231 0.00042604 -0.03351839 0.00605228 -0.00261891 -0.00491340 +H 5.41880882 4.81866848 6.46554681 -0.00458320 -0.02925567 -0.00419581 -0.04958351 -0.05904104 -0.07365178 -0.00055150 0.01476785 -0.01177568 +C 7.43026440 6.88092295 5.99232285 -0.00345467 -0.00500320 -0.00761053 0.00662611 -0.05591682 -0.07552402 0.00360169 -0.00482931 -0.01088178 +H 6.22355873 8.41719153 6.28031793 -0.00830982 -0.01016698 0.00650142 -0.00276253 -0.05627025 -0.00723189 0.00859045 0.00711722 -0.00456462 +O 7.64777607 5.67133282 5.65072993 0.00198142 0.00078077 0.00294049 0.00648278 0.01616185 0.02766719 0.00048752 0.00053522 0.00377934 +C 8.65596575 7.78043100 6.13725550 0.00058932 0.00563571 0.00477827 -0.01353431 0.00492492 0.02817027 -0.00648784 -0.00228829 0.00553666 +H 9.56801996 7.15955626 5.96479034 -0.01378589 0.00658728 -0.01570779 -0.05278156 0.03159918 -0.04823132 0.01416919 -0.00296904 0.00119799 +H 8.75162814 8.54635363 5.37773474 -0.01154890 -0.01934293 -0.00337097 -0.14165120 0.04864275 0.01402918 -0.02529292 0.02209371 0.02011460 +H 8.68717115 8.08031574 7.11778113 -0.01790200 -0.02388841 0.01570938 -0.05445123 0.01188550 0.14457986 0.00270282 0.01099708 -0.02351866 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04414908 5.80614783 5.70411479 -0.00710179 0.00234346 -0.00244203 -0.05950106 0.02810895 -0.01595598 -0.00790156 0.00264163 -0.00228999 +C 2.28772388 6.22075058 5.80669204 0.00173925 -0.00280154 -0.00082789 0.03210378 -0.03315081 -0.00145134 0.00216514 -0.00320546 0.00076755 +H 1.10459945 4.89275989 5.60775744 -0.01217437 0.02030636 0.00356655 -0.18351206 -0.02166566 -0.00044686 -0.03813242 0.02369239 0.00091196 +C 2.70588963 7.52178636 6.03868982 -0.00215142 0.00182267 0.00443166 -0.03739545 0.02225411 0.04039456 -0.00891317 0.00312094 0.00677717 +H 3.05574199 4.16619253 5.63072300 0.00776870 0.03008402 -0.01199203 -0.07245304 -0.03746207 -0.09962495 -0.01713048 -0.00748822 -0.01125515 +C 4.03362361 7.88506192 6.16895856 -0.00048461 -0.00768500 -0.00772433 0.00573290 -0.05319836 -0.04733409 -0.00123447 -0.00418632 -0.00497837 +H 2.02928986 8.27437774 6.24655409 -0.00966204 -0.00138691 0.01987895 -0.13966938 0.01928065 0.05070673 -0.00293592 -0.01373573 -0.01224946 +C 5.00890390 6.87677455 6.02302441 -0.00368359 -0.00249191 0.00527944 -0.02720518 -0.02544010 0.04213444 -0.00004162 -0.00378589 0.00643399 +H 4.40191992 8.85103121 6.44788403 0.00318465 -0.00034220 -0.01261782 -0.11030119 0.01429129 -0.14842152 -0.02554215 -0.00411224 -0.02903884 +C 4.61427249 5.49679161 5.88608235 0.00028980 -0.00246491 0.00805385 0.01926662 0.00538419 0.05159208 0.00551333 -0.00026938 0.00534969 +N 6.26005070 7.39111095 6.08475489 -0.00020765 0.00433028 0.00234064 0.00742853 0.01422361 0.00758049 0.00008306 -0.00102678 0.00057252 +C 3.27364297 5.19506143 5.78484271 -0.00119567 -0.00101940 -0.00487760 -0.00665516 0.00621935 -0.03827198 0.00118006 -0.00159894 -0.00613463 +H 5.29085718 4.71895616 5.86649279 0.00505881 -0.00201917 -0.01192770 0.09636853 -0.01775091 -0.07098047 -0.00578503 0.02536319 -0.00038135 +C 7.45795520 6.80667571 5.84884544 -0.00358011 -0.00047187 0.00379266 -0.00240552 0.01894178 0.04102730 0.00526549 0.00485255 0.00659671 +H 6.28153744 8.40094142 6.14514887 -0.01664836 0.00623636 0.02276036 -0.03833624 -0.01125919 0.14833800 0.00900549 -0.00411231 0.01620718 +O 7.70338665 5.60459087 5.82533928 0.00739101 -0.00084274 -0.00020613 0.04162458 -0.00153272 -0.00528159 0.00386401 0.00143786 -0.00103951 +C 8.59261223 7.83063406 5.79942425 0.00777219 0.00626712 -0.00515223 0.04120403 0.01059954 -0.05487150 0.00305425 -0.00233538 -0.00846207 +H 8.15846049 8.82626298 5.75969169 0.01888071 -0.00328165 0.00304801 0.17435457 0.09121679 0.01421098 0.03092338 0.01409034 -0.00270638 +H 9.23966152 7.68451437 6.68537909 -0.00307536 -0.00885354 -0.03002514 0.07390763 -0.02537754 -0.08524631 0.02183896 0.00116835 0.00630690 +H 9.15524690 7.64468183 4.87518328 0.02038270 -0.01934327 -0.00864077 0.08647450 -0.05413727 0.02737653 0.00740879 0.00292231 0.00143015 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92542834 5.81750239 5.86775877 -0.00641045 -0.00492607 -0.00332368 -0.02870026 -0.02666373 -0.01278354 -0.00205313 -0.00323480 -0.00287268 +C 2.26859250 6.11457858 5.96267814 -0.00237883 0.00615477 0.00341086 -0.02466321 0.01624878 0.00904692 -0.00270824 -0.00147032 -0.00055006 +H 0.64031839 5.55034401 5.03407694 0.00875993 0.01134868 0.00313226 0.02815967 0.02694358 -0.08942033 0.00895804 0.00726337 0.01349592 +C 2.73641322 6.74712385 7.10472482 0.00744623 0.00496370 0.00576883 0.03249060 0.02776657 0.03378444 -0.00190503 0.00165750 0.00339399 +H 2.81739142 5.03643422 4.19800787 0.00959655 -0.01557642 0.02707285 0.02338015 -0.12602748 0.00665564 0.01104807 0.00467197 0.00157185 +C 4.09340488 7.01058951 7.19250895 -0.00448937 -0.00195954 0.00061826 0.02567824 0.00727724 -0.01275178 0.00968447 0.00436467 -0.00267464 +H 2.15292684 7.07766439 7.91503708 0.00140587 -0.01564655 0.00455059 -0.07577803 -0.10490614 0.06104955 0.00014517 -0.01413971 -0.00440873 +C 5.01566153 6.80235524 6.12053246 -0.00583577 0.00093193 -0.00849819 -0.03723864 0.00840401 -0.03301790 -0.00145868 0.00426710 0.00251236 +H 4.60222089 7.51120028 8.00650159 -0.00354317 -0.00122054 -0.00489842 -0.16779285 -0.00234976 0.09008309 -0.02925559 -0.00067242 0.02179125 +C 4.53143125 6.05662810 4.97316386 0.00669228 0.00601257 0.00252305 0.01802740 0.04411417 0.02961968 0.00010796 0.00273344 -0.00175975 +N 6.32714180 7.28946057 6.32167222 -0.00584217 0.00429842 0.00371373 -0.02471087 0.01429691 0.00567703 -0.00109304 -0.00143532 -0.00427088 +C 3.16716605 5.65998969 4.96647342 0.00340471 -0.00602240 0.00003005 0.02746623 -0.02096829 0.02103601 0.00236597 -0.00114635 0.00471192 +H 5.12146617 5.86311493 4.17525115 -0.01508382 0.00676950 0.00718994 0.08809887 -0.03060709 -0.06897785 0.00172722 0.00207619 0.02908342 +C 7.51734990 7.01413008 5.67697383 -0.00300060 -0.00360877 -0.00531739 -0.02950011 -0.01166362 -0.02054091 -0.00414248 0.00086575 0.00007209 +H 6.37801694 7.86858765 7.15687580 0.00784711 0.01587227 0.00552539 0.07547404 0.06180573 -0.06671790 0.00695704 0.00777790 -0.01133127 +O 7.63699588 6.24793886 4.71083284 0.00805521 0.00078064 -0.00352551 0.04574811 0.00649904 -0.02068047 0.00437602 0.00086950 -0.00246109 +C 8.79029170 7.73049533 6.18185530 0.00209432 -0.00757269 -0.00054826 -0.00881532 -0.02464164 -0.00851664 -0.00595624 -0.00214938 0.00220361 +H 8.60307415 8.40219434 6.99463198 -0.00155090 -0.01381128 0.02541726 -0.02028857 -0.21062292 0.12896015 -0.00463890 -0.04056981 -0.00133394 +H 9.59381606 6.99092147 6.40233936 -0.00713303 0.01694457 0.01390545 0.02002326 0.05878811 0.07477693 0.01234897 -0.00976757 0.00261240 +H 9.09438187 8.49123401 5.39033736 0.00791335 0.01449822 -0.00080641 0.06046259 -0.10615898 0.09349947 0.01883832 -0.00785271 -0.00172314 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97366173 5.69463933 6.01318584 -0.00305511 -0.00222550 0.00411723 -0.02008789 -0.01387703 0.02436546 -0.00197784 -0.00016867 0.00177092 +C 2.28646575 5.90464459 5.87649313 0.00132255 0.00478011 0.00066052 0.02433276 0.04327158 0.01225012 0.00399760 0.00419256 0.00452465 +H 0.51088319 6.51713946 5.83154922 0.00623110 -0.02911443 -0.02790740 -0.08001575 -0.13039612 -0.23147763 -0.01782269 -0.02377816 -0.02858377 +C 3.16100522 4.99866450 6.50731267 0.00179738 0.00137770 -0.00031362 -0.00051184 0.01073803 -0.01096846 -0.00206713 0.00318427 -0.00382274 +H 2.29841616 8.07052599 4.94901531 0.00746300 -0.02152843 -0.00619252 -0.10311390 -0.26049037 -0.06826843 -0.03527417 -0.02982445 -0.01701911 +C 4.52601420 5.26464409 6.49500948 -0.00490540 -0.00175867 -0.00118727 -0.00644019 -0.00833198 -0.00147983 0.00364574 -0.00002510 0.00096558 +H 2.84484026 4.09232004 7.05852483 -0.00297126 -0.00310194 -0.01052131 -0.08155110 0.03409034 -0.11484190 -0.02222643 -0.00387831 -0.00860088 +C 5.11618491 6.40178778 5.93559248 -0.00202184 0.00134405 -0.00523309 -0.01055536 -0.00277058 -0.02518477 -0.00105935 -0.00062618 -0.00228110 +H 5.19089724 4.58191334 7.00976338 0.00496217 0.02744212 0.01216262 -0.01138129 0.05864839 0.07931350 -0.00788646 -0.01413347 0.00760402 +C 4.24767568 7.36600260 5.37553222 -0.00658920 0.00683244 -0.00052513 -0.03738598 0.03793144 -0.00701444 -0.00065526 0.00385216 -0.00162692 +N 6.52097131 6.44007485 6.15676271 0.00038910 -0.00007411 -0.00577087 0.00210783 0.01387882 -0.03940088 -0.00019933 0.00333037 -0.00444050 +C 2.81159854 7.14483965 5.31068127 0.00679964 -0.00449891 0.00317259 0.06086829 -0.03583600 0.03409228 0.00653289 -0.00555662 0.00532479 +H 4.69660068 8.27744790 5.04046928 -0.02853776 0.01054167 -0.02060380 -0.20565817 0.07284911 -0.14166791 -0.02353333 -0.00162583 -0.01111088 +C 7.42134843 7.39522521 5.79533080 0.00150751 0.00436530 0.00828965 0.00368775 0.02175338 0.05509389 -0.00101289 0.00197452 0.00564831 +H 6.89668987 5.66798028 6.66331469 0.00226103 -0.00620556 -0.00009114 -0.00190622 0.02696874 -0.01547529 -0.00365000 0.01387572 -0.00617496 +O 7.11997674 8.27032087 4.99080340 0.00316817 -0.00526531 -0.00016836 0.02567553 -0.03031436 0.00032646 0.00409054 -0.00306975 0.00042232 +C 8.85627619 7.40034806 6.43114532 0.00401348 0.00140419 -0.00083747 -0.00132421 -0.00047070 -0.01265845 -0.00493961 0.00063887 0.00068594 +H 9.54488266 6.73216496 5.80734337 -0.02187165 -0.00295674 0.01069391 -0.08580906 0.00169682 0.02145507 0.01833544 -0.00941383 -0.02719723 +H 9.22430861 8.41532895 6.35630777 -0.02084374 -0.00368997 0.02564384 -0.03072480 0.04631296 0.15115159 0.01010973 -0.00008436 0.01216431 +H 8.88190799 7.10263801 7.47480725 0.02317821 -0.01644939 -0.01364422 0.09288024 -0.13096298 -0.05043561 -0.00174490 -0.01698513 -0.00641633 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.90492908 5.76856971 5.93835953 -0.00232439 0.00385795 -0.00200767 -0.00888275 0.02182730 -0.00634172 0.00092680 0.00163619 0.00219546 +C 2.28154770 5.92815439 5.97270229 0.00058808 -0.00429150 0.00541712 -0.01233052 -0.01619205 0.00845217 -0.00252027 0.00078173 -0.00433149 +H 0.41639125 6.04370654 5.13906640 -0.00410306 0.00659885 -0.01296526 0.09175287 0.03095626 -0.01292071 0.00904923 0.01309735 -0.02341280 +C 3.10329012 5.58127359 7.05334001 0.00101268 0.00180862 -0.00105789 -0.01755015 0.00274809 0.03179357 -0.00465955 -0.00092907 0.00870033 +H 2.35452787 6.78583220 3.92907218 0.01637765 0.01180787 0.00553898 0.03283366 0.07696088 0.07604505 -0.01937612 0.01522076 -0.01428063 +C 4.48029009 5.79707253 7.15230354 0.00212716 -0.00155812 0.00349831 0.01732834 -0.00071589 0.00754089 -0.00145205 0.00104185 -0.00370239 +H 2.57584486 5.26184906 7.94393823 -0.01018142 -0.00047375 -0.00671718 -0.01963900 -0.11449614 -0.03673625 0.00234745 -0.03154571 0.00384869 +C 5.11495533 6.50027440 6.09575645 0.00078602 0.00403298 -0.00215890 -0.01473506 0.01126516 0.00884213 -0.00478228 -0.00102894 0.00503020 +H 5.06745576 5.52981045 8.08116223 -0.00497723 -0.04054479 0.00143641 -0.10923211 -0.20928843 -0.09818512 0.00097679 -0.02290573 0.00118590 +C 4.26404007 6.84538220 4.98216018 -0.00447042 0.00100140 0.00444850 0.01145594 0.00913268 0.02264072 0.00856155 0.00205634 0.00110208 +N 6.49362198 6.73939033 6.31979347 -0.00070000 -0.00044082 -0.00435114 -0.03308673 -0.01202923 -0.03280507 -0.00733232 -0.00294730 -0.00445016 +C 2.87565184 6.53394965 4.90193537 0.00133739 -0.00341990 -0.00416115 0.03759789 -0.01541819 -0.03179503 0.00868501 -0.00210942 -0.00040659 +H 4.74194444 7.29734844 4.13696289 0.03091166 -0.00828239 0.02251013 0.12379919 0.01410693 0.08515784 -0.00515798 0.01089490 0.00274607 +C 7.44349834 7.36634712 5.66459164 -0.00429060 0.00525659 0.00074482 -0.01094464 0.03275364 -0.00552924 0.00199853 0.00201757 0.00039905 +H 6.83228915 6.32943932 7.17816703 -0.02020026 -0.01854860 -0.01570885 -0.07367976 -0.12948393 -0.07228514 0.00130422 -0.01227892 -0.00977121 +O 7.31417262 8.02313327 4.61735045 -0.00266120 -0.00584775 0.00055698 -0.02266013 -0.04108480 0.00351336 -0.00380611 -0.00481648 -0.00086467 +C 8.78855472 7.23398472 6.32479682 0.00804833 0.00134477 -0.00241702 0.05650354 0.03048260 0.00506194 0.00768855 0.00916573 -0.00098823 +H 8.85962972 8.18339520 6.87393892 0.00054509 0.00842513 0.00988386 0.02024864 -0.05066290 0.07260607 0.00658632 -0.00783506 0.01557814 +H 8.91567737 6.38662584 7.05943236 0.00228423 -0.00025137 0.02400449 -0.00290513 0.11039136 -0.01988876 0.00462671 0.00110336 -0.00805282 +H 9.62350611 7.29694180 5.69668489 0.01697092 0.02923088 0.00410335 0.09500905 0.10021371 -0.05317035 -0.01386180 -0.00534014 0.00372869 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98296047 5.62025069 5.79713607 -0.00250765 0.00182475 0.00056970 -0.00767313 0.03213595 0.00777626 0.00213155 0.00654207 0.00050644 +C 2.25264146 6.13569001 5.75983476 0.00234142 0.00575976 -0.00151207 0.00612356 0.03719680 0.01330699 -0.00112083 -0.00017590 0.00282168 +H 0.41260862 6.19637484 6.35047687 0.02207022 0.02238081 0.00775319 0.10252565 0.07239322 0.00510953 -0.01590426 0.01828540 0.01386947 +C 2.62675805 7.35718155 6.45102233 0.00447514 -0.00832528 -0.00219518 0.00883945 -0.04762756 -0.02185397 -0.00069257 -0.00111841 -0.00109257 +H 2.99574270 4.37627366 5.03166527 0.00999149 0.00857648 -0.00068208 0.08611595 -0.07102868 -0.12344673 0.01691897 0.00699020 -0.01598398 +C 3.94561716 7.81396299 6.53160866 0.00154226 -0.00436172 0.00053217 0.02210559 -0.03333413 0.00841734 0.00279690 -0.00746116 -0.00010559 +H 1.86669386 7.97617658 6.87002269 0.01594607 -0.00143317 0.01105240 0.05703560 -0.03814376 0.07397226 0.00243300 -0.01552645 0.00330194 +C 5.01070060 6.98286113 6.03964283 -0.00009288 -0.00048507 -0.01205455 -0.00701200 0.02360408 -0.06325656 -0.00239420 0.00719819 -0.00478574 +H 4.06970816 8.76650561 7.07633565 -0.01636915 0.01229905 0.02010760 0.00942749 -0.09527193 -0.01181812 0.02310350 -0.01098785 -0.00608270 +C 4.61586645 5.76941093 5.42898725 -0.00192047 0.00432318 0.00901650 0.00657648 -0.00574049 0.04450470 0.00502733 -0.00724444 0.00206967 +N 6.37450301 7.39736129 6.15983910 -0.00709800 0.00256172 -0.00367754 -0.05017786 0.02273680 -0.02815868 -0.00508841 0.00287962 -0.00506410 +C 3.27145680 5.34447349 5.32218898 -0.00084336 -0.00441538 0.00344397 0.01364944 -0.02375263 0.02457485 0.00366938 -0.00402811 0.00254698 +H 5.34064697 5.10149415 5.11549077 0.02020450 -0.00271357 -0.00614364 0.05529361 0.03177106 -0.01631224 -0.01811776 0.01923770 0.00859374 +C 7.55492650 6.79462088 5.89963113 -0.00100403 -0.00119334 -0.00353569 -0.04592229 0.00345660 -0.01778386 -0.01152338 0.00235177 -0.00113605 +H 6.44949432 8.34226025 6.45250778 0.02138513 0.02385536 0.00199302 0.07791502 -0.00665320 -0.04707402 -0.00710119 -0.01501382 -0.01156544 +O 7.72631977 5.60365435 5.67124520 0.00564471 0.00458075 -0.00082669 0.03602088 0.02388624 -0.00776175 0.00401009 0.00183458 -0.00145420 +C 8.67467365 7.77035594 5.83560965 -0.00546277 -0.00991666 0.00667220 -0.02005435 -0.04856828 0.03835965 0.00355123 -0.00266565 0.00506355 +H 9.26376294 7.49522353 5.01495574 -0.00885425 0.00191057 0.00649227 0.03558960 -0.01932972 -0.03157704 -0.00076593 -0.00004531 0.01369642 +H 8.36712895 8.78674339 5.66098688 0.00602885 0.00200238 0.01145175 0.00045898 -0.02121128 0.09056031 -0.00678501 -0.01497483 0.01113896 +H 9.27107528 7.68340075 6.68513085 -0.01006720 0.01766135 -0.00122057 0.00996805 0.07153840 0.13862797 -0.01237834 -0.00431812 0.00431479 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01109043 5.65501180 5.69225842 -0.00732969 0.00140384 -0.00387052 -0.04899685 0.02570756 -0.01976649 -0.00547248 0.00555390 -0.00151628 +C 2.27774347 6.08837614 5.92447935 -0.00279984 -0.00110549 0.00085619 0.00192009 0.02762336 0.00060207 0.00049040 0.00615213 -0.00179707 +H 0.92931313 4.71264164 5.49650183 -0.01948401 0.01974001 0.01055756 -0.11737652 0.00911677 0.04917763 -0.01013403 -0.00448011 0.00512316 +C 2.56643923 7.51762233 6.23738277 0.00395574 -0.00028495 -0.00153482 0.00263434 -0.05932003 -0.02127462 -0.00234736 -0.01341335 -0.00316249 +H 3.07802286 4.19330841 5.32244090 0.00245649 0.02708298 0.03214705 0.05384104 -0.05280581 0.17774859 0.01433886 -0.00769894 0.01996935 +C 3.94332120 7.90533400 6.33870586 -0.00297745 -0.00996074 0.00129574 -0.01301790 -0.03434304 0.01480933 0.00020246 -0.00299510 0.00218927 +H 1.72968649 8.17493164 6.28354439 -0.03781214 -0.00079665 0.01568879 0.03216181 -0.06805246 0.10983185 0.04007604 -0.01581525 0.01150568 +C 5.00054639 6.99813475 6.18176253 0.00546325 -0.00199444 -0.00210602 0.04921641 -0.04757503 -0.03369141 0.00651139 -0.00762343 -0.00603656 +H 4.23225328 8.92712591 6.48168826 -0.00936578 0.02712859 0.01316840 -0.16513238 -0.05009782 0.08915730 -0.02643448 -0.02579405 0.01426662 +C 4.68497191 5.63355620 5.82237209 0.00987987 -0.00323101 -0.00005160 0.04144799 -0.01752998 0.00589623 0.00159972 -0.00392481 0.00020098 +N 6.37095596 7.38310309 6.25469566 0.00407695 0.00410073 0.00100279 0.00874849 0.02387518 0.00887907 -0.00149213 0.00419057 0.00278270 +C 3.34762618 5.16654502 5.68403826 -0.00009219 0.00393639 0.00061932 0.00423389 0.06920235 0.01795233 0.00218886 0.01101608 0.00426503 +H 5.48004495 4.92688416 5.71702699 -0.01433298 -0.01627581 -0.01659905 -0.04333181 -0.12100537 -0.13197956 -0.00424617 -0.00144299 -0.01154503 +C 7.50664330 6.85993505 5.72431278 -0.00022923 -0.00613740 -0.00132522 -0.01969658 0.00195170 0.03175429 -0.00351998 0.00623618 0.00962977 +H 6.52024838 8.11287804 6.88222805 -0.00685066 0.00595346 -0.00457979 0.00098569 0.13096238 -0.04097186 0.00084788 0.00317249 -0.02660740 +O 7.51859259 5.86953475 5.04522176 0.00117575 0.00328961 0.00364148 0.01654725 0.00280727 0.00728256 0.00316790 -0.00219674 -0.00113657 +C 8.76407400 7.60498570 6.15511396 -0.00082322 0.00164262 -0.00101011 -0.00764300 0.01347796 -0.00726533 -0.00305758 -0.00082175 -0.00108470 +H 9.03259027 7.38619822 7.19522670 0.01311595 0.00435516 -0.00003945 0.07117244 -0.00661831 -0.05247142 0.00923314 -0.00301825 -0.00745105 +H 9.62733684 7.28916471 5.48906743 -0.03263811 0.00199779 -0.00478222 -0.13180156 0.01951018 -0.06858742 0.01413597 -0.00453154 -0.02717310 +H 8.64524135 8.74120350 6.14042923 -0.00154569 0.00351224 -0.01705700 -0.01120825 -0.09113229 -0.16179723 -0.00514561 0.01212767 -0.02474661 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99317717 5.74205119 5.84701398 -0.00657151 0.00077753 0.00232539 -0.04249872 -0.00458812 0.01387350 -0.00518186 -0.00179165 0.00157315 +C 2.30856132 6.10894025 5.87363858 -0.00283612 -0.00233735 -0.00630466 -0.02831745 0.01437861 -0.04006523 -0.00390912 0.00325524 -0.00502335 +H 0.83705535 4.83914156 5.86830935 -0.01420373 -0.01391497 -0.01281411 -0.05263862 -0.00034219 -0.09534543 -0.00023815 0.01484068 -0.01465705 +C 2.56114605 7.50527003 6.09778450 0.00351762 -0.00142030 -0.00040427 0.02469926 -0.04227232 0.01380512 0.00557865 -0.00769771 0.00473456 +H 3.16949154 4.11005649 5.47759221 -0.02763233 -0.01048603 -0.01376222 -0.13040844 0.11854512 -0.02944680 -0.01068445 -0.00566408 -0.00181345 +C 3.90359900 7.81068736 6.24511899 0.00816072 -0.00268536 -0.00107002 0.06319046 0.00998740 -0.01508762 0.00272440 0.00603170 -0.00257273 +H 1.78138394 8.19403842 6.29173731 -0.00678308 0.02443101 0.04021225 0.10344422 0.00380047 0.11681232 0.03160223 -0.02729573 -0.00970932 +C 5.03832871 6.90212742 6.06282048 -0.01119714 -0.00058653 -0.00025216 -0.06729728 0.01744800 0.01302380 -0.00019780 0.00390615 0.00344637 +H 4.15917087 8.84821285 6.39735536 -0.02449160 0.00963192 0.00616713 -0.11091995 0.01085154 0.08467585 0.00600995 -0.00376180 0.01531062 +C 4.73093322 5.54729575 5.83958077 -0.00012056 0.00044174 0.00330616 -0.01101837 -0.00100782 0.00765011 -0.00619377 0.00124642 0.00001947 +N 6.30929157 7.41976944 6.25887932 0.00306163 0.00193597 0.00020732 0.01679643 -0.00104855 -0.00379040 -0.00118176 -0.00355578 -0.00202728 +C 3.35935214 5.19426410 5.69686733 0.00205080 0.00104279 0.00048983 0.00845849 -0.02391141 -0.00035565 -0.00181178 -0.00198874 -0.00021450 +H 5.55685212 4.80935839 5.64584353 0.00313153 -0.01514719 0.01662463 -0.10490394 -0.01094696 0.17246542 0.00088506 -0.01009625 0.02262254 +C 7.48289458 6.90669889 5.78453600 -0.00468093 -0.00411135 -0.00916046 -0.02555487 0.00441075 -0.03758652 0.00047534 0.00583114 -0.00017032 +H 6.36279987 8.24888691 6.84408642 0.02205432 0.00294717 0.01381932 0.13520480 -0.05643758 0.01316285 0.01240688 -0.00665152 -0.00153943 +O 7.56501845 6.00318485 4.99475253 0.00752503 0.00231562 0.00280860 0.04542166 -0.00793819 -0.00061246 0.00490890 -0.00480503 -0.00327226 +C 8.76966977 7.49631912 6.25300020 0.00404665 0.00330721 0.00290371 0.00917989 0.02477832 0.03091515 -0.00042150 0.00467215 0.00374306 +H 8.64571150 7.46499411 7.33246254 -0.00013220 0.01818776 0.00001767 0.13584345 0.03642804 0.05186200 0.03211982 -0.00348102 0.00898132 +H 9.62934074 6.99987338 5.89341131 0.01248709 -0.00541076 -0.00660522 0.05274982 0.00950617 0.00821615 -0.01759024 0.01758371 0.01504228 +H 8.78340102 8.54678365 6.10295731 -0.00949034 -0.01058077 -0.00300925 0.00950255 0.05656676 -0.15013851 0.01099282 -0.00315020 -0.02631533 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03682067 5.81279576 5.93114226 -0.00062563 -0.00582976 -0.00317053 -0.01916712 -0.05423413 -0.02749176 -0.00358903 -0.00945259 -0.00476501 +C 2.32608200 6.11199090 5.86094867 0.00152432 0.00262813 -0.00553188 0.01394174 0.03350097 -0.01247049 -0.00005809 0.00577328 0.00162593 +H 0.78911435 4.99066969 5.62252729 -0.00408591 -0.01958945 0.00114427 0.03320539 -0.09511111 0.01893402 0.01620185 0.00155676 0.00743482 +C 2.64225464 7.39418311 6.34182972 -0.00086484 0.00584567 -0.00035091 0.00413626 0.02283034 -0.02338836 0.00183835 0.00317875 -0.00402411 +H 3.27945900 4.14703528 5.27097756 -0.00704890 0.00734376 0.01151721 -0.18641836 0.05679621 0.11492023 -0.03938551 -0.00445494 0.01259076 +C 3.95604849 7.82697135 6.23201117 0.00513021 0.00287966 0.00513244 0.03289512 0.04403420 0.05305164 0.00273141 0.00906418 0.00924266 +H 1.84371516 8.04170763 6.63003312 0.01152822 -0.01737232 0.01703058 0.00582061 0.00678180 0.15812823 0.00682166 0.00396572 0.01110675 +C 5.01628627 7.00470400 5.84473574 -0.00152831 0.00569820 0.00618001 -0.00596373 -0.01507410 0.01994760 0.00165289 -0.00832234 -0.00032590 +H 4.18559466 8.79916860 6.58981640 -0.00701052 0.00454454 0.00415306 -0.02283047 0.11043359 -0.01726056 0.00222712 0.01111666 -0.00969424 +C 4.67594449 5.63719016 5.60528930 0.00543714 -0.01243656 0.00523341 0.04125977 -0.04203805 0.03904020 0.00439064 -0.00028171 0.00467394 +N 6.30385680 7.49562951 5.67936406 0.00114190 0.00148863 -0.00830549 -0.00863514 0.03546390 -0.03503471 -0.00353399 0.00230760 -0.00166103 +C 3.36640955 5.19797160 5.58791097 -0.00193982 0.00611745 0.00198941 -0.01230604 0.02742069 0.00287896 -0.00030888 0.00267114 -0.00022475 +H 5.46608425 4.91391488 5.42232556 -0.01833681 -0.00115412 -0.01080904 -0.03865771 -0.10417362 -0.13590092 0.00437296 -0.01509482 -0.01704101 +C 7.44949810 6.84668656 5.83384949 -0.00319130 -0.00458765 0.00122280 -0.01583447 -0.02863112 0.00796558 -0.00178516 -0.00085342 0.00061735 +H 6.35354621 8.52223642 5.74831906 -0.00153294 0.03845109 0.00532539 0.02761179 -0.05414303 -0.02509818 0.01082288 0.00443093 -0.00815559 +O 7.61662542 5.63253712 5.79985656 0.00017945 -0.00186555 -0.00231429 -0.00267716 -0.01881522 -0.01676422 -0.00106420 -0.00386053 -0.00242310 +C 8.62355910 7.68228544 6.18543437 -0.00413031 0.00031260 0.00020700 -0.02113050 0.01942585 0.00909429 0.00302691 0.00401644 -0.00138650 +H 8.92671489 7.51222835 7.21822407 0.01117705 -0.00819516 0.00134283 0.00965138 0.00483522 -0.00772949 -0.00996142 0.01090241 0.00009312 +H 9.39393306 7.39190079 5.60335489 -0.00730220 0.00018871 0.02043971 0.12733274 -0.05497017 -0.02442446 -0.01424872 0.00464079 0.01062666 +H 8.43038985 8.70241217 5.99578631 0.00861740 0.02029169 -0.01547703 0.07012888 0.06375024 -0.03762927 0.00922454 -0.01949347 0.00868631 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.89107103 5.82020499 5.93556785 0.00243746 0.00104872 0.00152761 0.03199969 0.00301553 0.00272844 0.00563181 -0.00020271 -0.00074734 +C 2.28226264 5.89846193 5.95890359 0.00425305 -0.00142541 0.00187774 0.01392727 0.01306840 0.01444896 0.00029305 0.00441534 0.00187490 +H 0.59651960 5.97406210 5.08172450 -0.02504450 0.00333692 -0.00276895 -0.13764238 0.01463347 0.07674893 -0.00571933 0.00089195 0.02761130 +C 3.01090096 5.64041804 7.13178606 -0.01058455 -0.00416506 -0.00119482 -0.02283885 -0.03468373 -0.00001785 0.00545218 -0.00341990 -0.00109083 +H 2.52455633 6.83521864 4.03040215 0.00056176 -0.02164944 0.01272528 -0.08368688 -0.14042607 -0.03241906 -0.00047175 -0.02512759 0.00864004 +C 4.43376932 5.87923234 7.22287980 0.00221076 0.00211285 -0.00259684 -0.02242726 0.00699508 -0.02281653 -0.00769853 -0.00077268 -0.00128673 +H 2.50715561 5.11475461 8.01484392 -0.01164821 0.01945899 -0.01979342 -0.12687346 0.11710625 -0.06921643 -0.03302163 -0.00325080 0.02841671 +C 5.09851953 6.55127163 6.16173601 -0.00228768 -0.00112802 -0.00344317 -0.00759492 -0.00770141 -0.01606257 0.00103318 0.00029863 -0.00222108 +H 4.99556376 5.48972039 8.01956905 0.01623876 0.01059889 0.00997464 0.00032137 0.16426528 0.06914596 -0.02800345 0.03638372 -0.00828270 +C 4.43072458 6.79765321 4.98086188 -0.00290983 0.01289940 -0.00511480 -0.06120932 0.07020868 -0.03140437 -0.00913623 0.00659151 -0.00319224 +N 6.39422550 6.92030998 6.37218601 0.00697332 -0.00180068 0.00198380 0.05301945 -0.02020080 0.03671445 0.00477648 -0.00407413 0.00607714 +C 2.99340051 6.52373181 4.90690173 0.00099023 -0.00758175 0.00353049 0.03658513 -0.04460802 0.01289726 0.00396477 -0.00416643 -0.00365639 +H 4.94824335 7.20468170 4.14800478 -0.00018035 -0.01432198 -0.00872614 -0.04071861 0.01129483 -0.09949874 -0.02354315 0.01279582 -0.00098547 +C 7.41959602 7.32839666 5.59996043 -0.00196692 0.00038330 0.00357826 0.00136679 0.00375012 0.03266851 0.00321255 0.00132667 0.00161937 +H 6.66461296 6.82672203 7.34603297 0.01414515 0.01153237 0.02244042 0.06110372 0.04730077 -0.00554597 0.00907716 -0.00242049 0.00413384 +O 7.31170937 7.64239122 4.43246490 -0.00198487 0.00138118 -0.00296805 -0.00956772 0.00794057 -0.01738415 -0.00078857 0.00043075 -0.00011641 +C 8.79344616 7.36067085 6.36581120 -0.00018821 -0.00460312 0.00040571 0.00088792 -0.01802979 -0.02340791 -0.00113258 0.00078159 -0.00302776 +H 9.09335303 8.35997036 6.60007776 0.01466967 0.01697818 -0.00053239 0.01650271 -0.01324446 -0.04378918 -0.01313508 -0.02296400 -0.01052814 +H 8.85407611 6.78101903 7.27950019 -0.01810255 0.00539811 0.00717232 -0.14382800 0.01884443 0.01947024 -0.01741109 0.00656766 -0.00858940 +H 9.52550824 6.93362335 5.61025219 0.03019009 -0.00307947 0.01004388 0.09249791 0.01811761 0.20903363 0.01678372 -0.01011260 0.01968954 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02837392 5.64497597 5.89840904 0.00297430 0.00240544 -0.00351554 0.00405781 0.01649032 -0.02046308 -0.00032495 -0.00025552 -0.00349427 +C 2.31538945 6.06561213 5.94997546 0.00050000 -0.00472534 0.00737712 -0.00833601 -0.01816231 0.04859122 -0.00218786 0.00204604 0.00711150 +H 0.40740922 6.26898785 6.31090225 -0.03079861 0.00994661 -0.02443037 -0.07364298 -0.02876297 -0.24503264 -0.02002238 0.01624450 -0.02785009 +C 2.57546583 7.36528805 6.35790531 -0.00210635 0.00610442 0.00671276 0.00351612 0.02254305 0.05058948 -0.00182294 0.00192663 0.00797502 +H 3.08133991 4.27380377 4.93429957 0.00220167 0.01503723 -0.00266272 -0.01181908 0.02615881 0.08501024 -0.01234247 -0.02884541 0.01152543 +C 3.90207447 7.83608829 6.43697961 -0.00439279 -0.00064879 0.00457142 0.00541055 -0.02117932 0.00929515 0.00712818 -0.00549533 -0.00261970 +H 1.82078094 7.95570409 6.71493616 0.01427105 0.00436959 -0.02506465 -0.09404557 0.17690735 -0.08112696 0.00914263 0.00328085 -0.01126833 +C 4.98529644 7.03030908 5.91925249 0.00590592 -0.00986750 -0.00231196 0.01304305 -0.04536875 0.00095625 -0.00130163 -0.00122286 0.00310735 +H 4.04124795 8.81679673 6.88434707 -0.00317635 0.00869335 -0.01998954 0.03507106 0.03419090 -0.16331061 0.01191016 0.00014535 -0.02158911 +C 4.62827161 5.70962960 5.45268406 0.00736416 -0.00161726 -0.00304355 0.05593084 -0.01965256 -0.02828337 0.00245756 -0.00371084 -0.00372657 +N 6.30975302 7.53446717 5.93784966 -0.00312636 0.00532102 -0.00268202 -0.00265901 0.02998685 -0.01009604 0.00053496 0.00060227 -0.00132776 +C 3.32745767 5.22459679 5.48232805 -0.00524606 -0.00027422 0.00254047 -0.01482104 0.01024176 0.00451245 0.00411477 0.00494856 0.00000893 +H 5.40363479 5.04303272 5.00702795 -0.00763756 -0.02551965 -0.02281236 -0.10181856 -0.04125379 -0.07336253 0.01105070 -0.00367797 -0.01066214 +C 7.50597083 6.89780661 5.81115686 -0.00179501 0.00362178 -0.00426087 -0.00751295 -0.00188371 -0.02852384 0.00047095 -0.00195518 -0.00262158 +H 6.53774735 8.48724707 6.29743208 -0.01603666 0.00407591 -0.01113362 -0.24239898 0.04961464 -0.07579230 -0.03494096 0.02665180 -0.00341649 +O 7.58974564 5.74973421 5.36301011 0.00170628 -0.00226958 0.00052536 0.00957016 -0.00771228 0.00481046 0.00080827 -0.00020192 0.00064325 +C 8.84377747 7.50796865 6.29890883 0.00089600 -0.00023913 0.00407951 -0.00814430 0.02941125 0.01554642 -0.00634005 0.00509025 0.00138647 +H 9.70487046 6.79888585 6.35243121 0.00683681 -0.01728719 -0.00263919 -0.10784856 -0.00303194 -0.02770408 -0.01736076 0.00300130 -0.00444667 +H 9.10529847 8.37249230 5.62883450 -0.00122761 0.02156005 -0.01440400 -0.01358484 -0.08691364 0.02427957 0.00782271 -0.00879792 0.00089075 +H 8.71924621 8.03846713 7.24607122 -0.00869556 -0.00586445 0.02120740 -0.03500904 -0.15803379 0.07969358 -0.00038065 -0.02850117 0.00395664 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99593262 5.81940174 5.98390274 0.00009645 0.00168661 -0.00603443 -0.01136969 0.00826006 -0.04576104 -0.00221961 0.00020557 -0.00570946 +C 2.31640965 5.96550833 5.93387339 0.00017804 0.00862323 0.00382417 0.00700189 0.04280585 0.03248622 0.00049219 0.00195977 0.00613377 +H 0.58538707 6.27151130 5.22138201 0.01018727 -0.00104583 -0.00608296 0.01455738 -0.01358362 -0.04912041 -0.01355007 0.00620986 -0.02341557 +C 3.07612683 5.50388512 6.98918367 0.00809611 -0.00563604 -0.00229568 0.01421671 -0.04703746 0.02269886 -0.00602355 -0.00486076 0.00400621 +H 2.42822652 6.82730478 3.93700710 -0.00002358 -0.01983939 0.00517130 -0.05513211 -0.05462594 0.02394116 -0.01578586 0.00558465 -0.00459511 +C 4.41786499 5.87843760 7.20401469 -0.01381372 0.00151294 -0.00935103 -0.06936054 -0.00329392 -0.04739494 -0.00076822 -0.00178631 -0.00233108 +H 2.59214816 4.90271249 7.79172289 -0.00881153 -0.00170414 0.01995517 0.01024836 0.11336423 0.00631683 -0.00575244 0.00734483 0.01484410 +C 5.08685134 6.46381851 6.14609954 0.00143710 -0.00410941 0.00645100 0.02753870 0.00322376 0.00747534 0.00525766 0.00441635 -0.00316087 +H 4.87367606 5.64304422 8.12802295 0.00518314 0.01782889 0.00081726 -0.00431435 0.06601367 -0.05916750 -0.01404980 -0.00058737 -0.01978982 +C 4.31504574 6.82594896 4.95016945 -0.00005664 0.00134037 0.00786529 0.02704619 0.01322921 0.05855008 0.00591822 0.00254028 0.00562583 +N 6.48717850 6.68099223 6.36285565 0.00823894 -0.00024603 0.00422991 0.03408947 -0.00513552 0.01901402 0.00172167 -0.00224650 0.00283175 +C 2.95272633 6.57798660 4.86595641 -0.00626389 -0.00516506 0.00119304 -0.02377961 -0.02799201 0.00108097 0.00274392 -0.00182148 -0.00002747 +H 4.70414630 7.35405709 4.13185492 0.00711571 0.00786650 -0.01111015 0.10978116 -0.04330827 0.03746225 0.01424073 -0.02354761 0.03126688 +C 7.43047004 7.32905127 5.65178829 0.00558649 0.00271675 -0.00318093 0.01429975 0.00365982 0.00071934 -0.00216916 -0.00138963 0.00339443 +H 6.85302807 6.28894531 7.18335972 0.00016103 -0.01090763 0.00045535 0.01798410 -0.07473570 0.03864908 -0.00144707 0.00294150 -0.01198773 +O 7.17464801 7.92995853 4.62500718 -0.00650336 -0.00135085 -0.00072908 -0.03654952 -0.00508323 -0.01279882 -0.00350933 -0.00031086 -0.00236931 +C 8.81863375 7.33638421 6.30008619 0.00146171 -0.00046441 0.00291286 0.01542854 0.01215524 -0.00748175 0.00238479 0.00535094 -0.00514221 +H 8.96580199 8.36510468 6.60011742 0.00640495 -0.00596985 -0.00680263 0.08096375 0.02302893 -0.01309895 0.01446538 0.00476540 -0.00274301 +H 8.83976971 6.71460919 7.22620164 0.01209477 0.02366896 -0.00578472 0.12177521 0.06287411 0.00389553 0.02028277 -0.01216370 0.00890071 +H 9.66376061 7.10403980 5.64457863 -0.00489565 0.00227221 -0.03644557 -0.15664789 -0.01936746 -0.13549596 -0.02476789 -0.01019761 -0.00487063 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97349693 5.77496180 5.83975345 0.00250975 0.00079729 0.00039352 0.01613849 -0.00121705 0.00031077 0.00212478 -0.00242330 -0.00072294 +C 2.27071617 6.15232428 5.91649056 -0.00261628 -0.00333174 -0.00227580 0.02636393 -0.04583293 -0.01907875 0.00761812 -0.00564825 -0.00203557 +H 0.98164117 4.91230222 5.55072904 0.01493520 -0.00502658 -0.00409363 -0.01528685 -0.01396238 -0.01365000 -0.01972337 0.01801484 0.00600278 +C 2.63189895 7.43353419 6.28914015 0.00155503 0.00427605 -0.00092176 0.00923515 0.01871039 -0.02013758 0.00042315 0.00364623 -0.00399714 +H 3.05848999 4.19039083 5.30070628 -0.02210917 -0.03279065 -0.00035624 -0.03547299 -0.02717209 0.07034605 0.00698461 0.01268403 0.01602381 +C 3.95384489 7.80985153 6.29793893 0.00735435 0.00645799 0.00236016 0.05430286 0.05487358 0.03106921 0.00317700 0.00904294 0.00655202 +H 1.86763494 8.09427064 6.44654268 0.02326385 0.00931585 -0.00546315 0.01990449 0.18354856 0.04775166 0.01711563 -0.00459099 0.00541509 +C 5.02258984 6.91560019 6.01206066 -0.00559199 -0.00051908 0.00422390 -0.02283302 -0.00363022 0.01064763 0.00058081 -0.00048582 -0.00139423 +H 4.23509934 8.78514545 6.57721472 -0.03679755 0.02739103 0.02201608 -0.19460105 0.11440243 0.07936156 -0.00277548 -0.01209466 -0.00550930 +C 4.68055826 5.59019152 5.62562981 -0.00367049 -0.00299325 -0.00221812 -0.03629836 -0.02042519 -0.00187681 -0.01057109 0.00153416 0.00335727 +N 6.33219571 7.43766406 6.03789107 0.00122327 -0.00105882 -0.00204506 -0.02189091 -0.00296619 -0.00209280 -0.00664856 -0.00112763 0.00069963 +C 3.33102903 5.18545636 5.60194519 -0.00225622 -0.00711262 0.00142266 -0.05119216 -0.03507088 0.00778131 -0.00879377 -0.00305314 0.00064558 +H 5.45006852 4.74762398 5.35662046 -0.02038443 0.00178566 0.01972387 -0.07079255 0.08190372 0.11136137 0.03977151 -0.02294815 -0.00259189 +C 7.48858843 6.87755552 5.79515781 -0.00276254 -0.00421769 -0.00940273 0.00693405 -0.00761986 -0.03806855 0.00400029 0.00458107 0.00007150 +H 6.43162283 8.36157030 6.43011446 -0.00490477 0.00600124 -0.00297478 -0.04985123 0.01203140 -0.06034590 -0.00721210 0.00319752 -0.01051428 +O 7.59180539 5.74536095 5.38655755 0.00456535 0.00440856 -0.00100806 0.04009304 0.00746731 -0.01884399 0.00669692 -0.00295230 -0.00467488 +C 8.72184866 7.70290351 6.18395401 0.00320133 0.00357431 0.00434885 0.00797490 0.01961650 0.02680400 -0.00142935 0.00001652 0.00236483 +H 9.65676335 7.50894411 5.68708319 -0.01118197 -0.02479835 0.00200428 -0.06129606 -0.23026063 -0.03028066 -0.01508306 -0.02347029 0.00447083 +H 8.46906661 8.70484787 5.80381270 -0.01106928 -0.01079217 0.01007242 0.00445610 0.04069684 0.09605639 0.01600661 0.02220324 0.01049725 +H 8.97896945 7.74430726 7.22903166 -0.00400860 0.00706609 0.02658913 -0.11969183 0.01173543 0.05671257 -0.02319879 -0.00679673 -0.01414420 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03382987 5.72386147 5.78785130 0.00508801 -0.00232647 0.00069222 0.02063928 -0.02615472 -0.00040955 0.00133497 -0.00701866 -0.00180085 +C 2.35501448 6.10604530 5.75915781 -0.00692406 -0.00721535 0.00563346 -0.04237944 -0.01073463 0.06375366 -0.00283464 0.00465144 0.01156530 +H 0.36267091 6.31726215 6.16631321 -0.01188261 -0.00235331 0.00871758 0.07233810 -0.05694662 0.02141289 -0.00096101 0.01269087 0.01598237 +C 2.65551326 7.32857142 6.44287772 -0.00175515 0.00670225 -0.00399307 -0.01873085 0.00658548 -0.04333999 -0.00557742 -0.00324911 -0.00701068 +H 3.17982635 4.24684601 4.89957008 -0.00139462 0.03140732 0.00261071 -0.06607637 0.12224834 -0.09262914 -0.01619619 0.00223346 -0.02649056 +C 3.99048089 7.75929265 6.60144725 0.00135655 -0.00266510 -0.00465915 -0.01367283 -0.00033832 -0.03038782 -0.00402206 0.00287472 -0.00370216 +H 1.81909956 7.83608847 6.87802417 -0.01570116 -0.02643550 -0.02962805 -0.08342351 0.04324549 -0.13490468 0.00978718 0.03126321 -0.01244182 +C 5.00563879 6.96515570 6.09667338 -0.00089666 -0.00402541 0.00511792 0.01502341 -0.03579173 0.01756686 0.00366229 -0.00436600 0.00077028 +H 4.18412207 8.69210372 7.04266340 0.00461451 0.01665427 -0.00590895 0.01854694 0.01716813 -0.02537948 -0.00382224 -0.02151672 -0.00764836 +C 4.66742348 5.72687450 5.40712995 0.00023443 0.00095882 -0.00399917 0.01335849 0.02880822 -0.00067730 0.00500465 0.00190666 0.00145190 +N 6.32019632 7.49000935 6.21819964 0.00349053 -0.00411851 0.00178357 -0.01807463 -0.04020928 0.01415690 -0.00594374 -0.00766011 0.00194991 +C 3.37024821 5.26702546 5.26106865 -0.00516129 0.00964616 -0.00035914 -0.03847421 0.07455132 0.00798064 -0.00425154 0.01077082 0.00215573 +H 5.43893260 5.12116302 5.13208965 -0.01343737 0.00141530 0.01080013 0.01662849 -0.11948108 -0.07854597 -0.02033830 0.00681261 -0.01485593 +C 7.40807545 6.85253134 5.92023877 -0.00113506 0.00313857 0.00066012 0.03995178 0.00780080 -0.01269288 0.00967720 -0.00113982 -0.00354360 +H 6.42773727 8.46632651 6.53797923 0.00677762 -0.02214709 0.00901244 0.02370038 -0.07450108 0.05721906 -0.00394337 0.00913195 0.00986438 +O 7.59839734 5.66563497 5.70991496 0.00492895 0.00236305 -0.00003732 0.02007662 0.00840367 0.00275026 0.00116630 -0.00010945 0.00066307 +C 8.63836968 7.67306380 5.71879243 -0.00011709 -0.00219632 -0.00047175 0.01171241 0.01047339 -0.00102105 0.00662396 0.00507175 0.00057665 +H 9.18335984 7.30059694 4.89954466 -0.00935276 -0.01473259 -0.00315599 -0.00623839 -0.08948192 -0.05335647 -0.00550118 0.00634431 0.01159708 +H 8.54946804 8.71488820 5.57393065 0.01077239 0.01614797 0.00279261 -0.04194409 0.04292431 -0.00559211 -0.01802911 -0.02047382 -0.00361144 +H 9.22345428 7.56898944 6.57861837 -0.00632390 0.00493609 -0.00574469 0.06711798 -0.01408275 0.06381527 0.00320569 -0.00375713 -0.00840291 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97645674 5.70437032 5.82925007 0.00657170 0.00670673 -0.00029289 0.04938367 0.04101989 -0.01091638 0.00600849 0.00461574 -0.00055928 +C 2.35095436 5.90034474 5.97933208 0.00211753 -0.00727564 -0.00132122 -0.00676669 -0.02094466 -0.02893731 -0.00086427 0.00228848 -0.00703157 +H 0.73503763 5.72618763 4.91809049 -0.02461170 -0.00682648 -0.01706713 -0.09840124 -0.02413109 0.07813160 -0.00904522 0.00024082 0.00567057 +C 2.97867601 5.64824779 7.18097213 -0.00544893 0.00027737 0.00096533 -0.00510699 0.00519027 -0.00398763 0.00250167 0.00019161 -0.00213223 +H 2.66392390 6.78866846 4.00833729 0.00412292 -0.00023235 -0.01094945 -0.11768131 -0.00073293 -0.02939596 -0.02199311 -0.00108470 0.01707560 +C 4.38962893 5.89512289 7.27064389 -0.00290624 -0.00660218 0.00078788 -0.03716057 -0.03333650 -0.00904763 -0.00596318 -0.00156747 -0.00397064 +H 2.32304235 5.27361109 7.98375876 0.01909392 0.01104840 -0.02042394 0.09335144 -0.04461905 0.06293923 0.00514243 -0.01779202 0.02880951 +C 5.06020161 6.53905984 6.15405896 0.00600207 -0.00024532 0.00634299 0.03841201 -0.01681800 0.06429212 0.00178017 -0.00394422 0.00880957 +H 4.86643022 5.55833974 8.22388036 -0.02164394 0.00227228 0.00472746 -0.06058811 0.06998945 -0.02175671 0.01220784 0.00651901 0.00935654 +C 4.43520202 6.89597945 4.97818931 0.00061883 -0.00036652 0.00444341 -0.01732958 -0.01698276 0.04048122 -0.00512743 -0.00494236 0.00922067 +N 6.42739869 6.66371038 6.25614527 -0.00160685 0.00329444 0.00068968 0.01908788 0.00421235 0.02182343 0.00537107 -0.00163680 0.00579887 +C 3.05529242 6.56393536 4.95751303 -0.00308171 0.00130427 -0.00081777 -0.00333970 0.00823239 -0.03726594 -0.00017614 0.00009182 -0.00933946 +H 5.01874404 7.27297617 4.11488571 0.00894757 0.00178292 -0.00576196 -0.11576614 0.01155878 0.06258659 -0.02145523 0.01093821 0.00407873 +C 7.38912875 7.35759124 5.61592786 -0.00263623 0.00254226 0.00127363 -0.01570979 -0.00661103 0.04395891 -0.00101307 -0.00157319 0.00710685 +H 6.88393873 5.96212015 6.85977294 0.00256630 -0.01139932 -0.01226674 -0.05033595 0.00442937 -0.00874100 0.00078647 -0.00671326 0.02678233 +O 7.16457604 8.06232951 4.70131461 0.00006433 -0.00483119 -0.00103076 -0.00024454 -0.01158515 -0.03090827 -0.00017943 0.00027652 -0.00612411 +C 8.81803861 7.18579812 6.19029198 -0.00203503 0.00450004 -0.00260694 -0.01179105 0.03644654 -0.02665143 -0.00058806 0.00711690 -0.00717473 +H 9.03890249 7.90896360 6.99145320 0.00052386 -0.00487348 -0.00454869 -0.05299589 0.02435805 -0.02003432 -0.01010051 0.01238883 0.00367314 +H 9.07234422 6.19989827 6.68522317 0.01057925 -0.00008318 -0.01198059 0.00389161 0.03959716 -0.22056589 -0.00448036 -0.01388232 -0.03039024 +H 9.45288529 7.49361872 5.40028480 0.00523761 0.00265777 -0.01834676 0.05389363 -0.07206704 -0.05307273 -0.00561036 -0.01765582 0.01420039 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97965227 5.80483877 5.77520665 0.00221132 0.00293864 -0.00212611 0.02989882 0.00669676 -0.01259871 0.00574837 0.00048354 -0.00131501 +C 2.31256882 6.13290032 5.93472551 0.00050444 -0.00406480 -0.00328966 0.00484408 -0.02005841 -0.03086974 0.00104900 0.00314206 -0.00460220 +H 0.92211010 4.84048184 5.59978995 0.02512724 0.00206927 -0.00182561 0.07457251 0.03731348 -0.01242584 -0.00711578 -0.02377827 -0.00757249 +C 2.60809837 7.45583408 6.05215401 0.00561842 0.00649477 -0.00693354 0.01170966 0.04882339 -0.04237007 0.00081009 0.00363120 -0.00496322 +H 3.08839148 4.17796866 5.61627212 0.00979476 -0.02359171 -0.01514139 0.16661208 0.02683069 -0.01598978 0.02418115 0.02184278 0.01145233 +C 3.91416975 7.90271891 6.07903790 0.00403148 0.00053887 0.00621955 0.04880100 0.00156976 0.05330898 0.00643357 -0.00064990 0.00871127 +H 1.73196246 8.12996097 6.11012141 -0.00405796 0.01123634 -0.00154025 0.11381936 0.08250893 -0.01751769 0.01085314 0.02729379 -0.00389316 +C 5.02097308 6.98323379 5.98638059 -0.00221362 -0.00517227 0.00767558 -0.04385979 -0.02378850 0.04140837 -0.00554815 -0.00235154 0.00338673 +H 4.04991589 8.98447778 6.23924001 0.00003305 -0.00940468 0.01812848 0.08139397 -0.03265409 0.07938633 0.02592100 0.01248790 0.00667258 +C 4.69553179 5.62425263 5.79745362 -0.00117531 -0.00418456 -0.00276828 0.02371648 -0.02699416 -0.01350415 0.00309471 -0.00046145 -0.00018761 +N 6.28794005 7.48659261 5.95714529 -0.00526825 0.00045854 -0.00331564 -0.01708394 -0.01530776 -0.02520133 -0.00062487 -0.00529089 -0.00280368 +C 3.37722385 5.18543650 5.79021123 0.00614021 0.00832522 0.00929592 -0.00025675 0.02362936 0.04987253 -0.00326971 -0.00294614 0.00396469 +H 5.51502328 4.89779934 5.65586778 0.02530686 -0.00045745 -0.01964069 -0.07584731 -0.00203538 -0.11622767 -0.01340300 -0.02162915 -0.01738174 +C 7.45764110 6.79149373 5.85259861 -0.00278007 -0.00572666 0.00447395 -0.00391988 -0.00397358 0.04540115 0.00101756 0.00185678 0.00685925 +H 6.35069815 8.49594435 5.90847696 -0.01070609 0.00253597 0.01079234 -0.03193558 -0.02088894 0.11006744 0.00289826 -0.00577439 0.01679658 +O 7.64328659 5.59559510 5.78491948 -0.00138636 -0.01055116 -0.00144886 -0.01306935 -0.07072168 -0.01003996 -0.00236914 -0.00713743 -0.00097121 +C 8.71755182 7.67207044 5.98694480 -0.00760704 0.00910638 -0.00558478 -0.05782470 0.07805768 -0.03269649 -0.00833715 0.01086744 -0.00430113 +H 8.42805234 8.74051733 5.92241810 -0.00020474 0.02471922 -0.00647165 -0.00175673 0.04085152 -0.04254369 -0.01071246 0.00791221 -0.00491942 +H 9.30636509 7.58222715 6.90155877 0.00693696 0.01966597 0.01113117 -0.08012357 0.05323395 -0.05396027 -0.02037350 -0.00331584 -0.01792419 +H 9.37614540 7.46703161 5.13249786 -0.02212742 0.02432641 -0.00091551 -0.07639685 0.12308851 -0.06193317 -0.00060091 0.00813525 -0.01364999 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00281554 5.78683348 5.87465698 -0.00168357 0.00095793 -0.00021119 -0.01707950 0.00777344 -0.00030409 -0.00390749 -0.00048143 0.00027194 +C 2.32348491 6.06323759 5.92748782 -0.00388728 0.00508232 -0.00172527 -0.03288959 0.04679443 -0.02016833 -0.00301396 0.00603968 -0.00476299 +H 0.80552695 4.86792305 5.99887698 0.00494826 0.02278074 -0.00504116 0.00177547 -0.03160917 -0.04060144 0.00204495 -0.00062967 -0.00972526 +C 2.65830852 7.34548929 6.27826101 0.00024320 0.00264925 -0.00091773 -0.01462478 0.03524630 0.00716500 -0.00306592 0.00651720 0.00229278 +H 3.09785062 4.23796777 5.19197381 0.00187417 -0.00761533 -0.01032934 -0.01084098 0.01560148 -0.11728060 -0.00497528 0.01108846 -0.01995161 +C 3.98466592 7.77283326 6.30629629 -0.00306698 0.00057819 0.00173211 -0.00871939 0.02025525 0.00771235 -0.00086192 0.00562502 0.00139123 +H 1.82356331 7.99458231 6.57339008 -0.00370305 -0.00443197 0.00516812 0.03776268 0.04410841 0.01132723 0.00059083 0.02535952 0.00340509 +C 5.07286870 6.96840432 5.97400031 -0.00502341 -0.00982524 0.00135603 -0.05326583 -0.06702745 0.01535756 -0.00617164 -0.00647304 0.00408051 +H 4.25079694 8.78624278 6.46131273 -0.02216595 -0.00162015 0.00788897 -0.17134343 0.05710921 0.18546630 -0.01661431 -0.00594938 0.03314122 +C 4.65880617 5.70843123 5.43750465 0.00609764 -0.00829671 0.00291705 0.02839696 -0.07396619 0.02804484 0.00077953 -0.01238007 0.00437321 +N 6.32941990 7.46919549 6.20404442 0.00432397 -0.00041563 0.00391864 0.00002673 -0.01795566 0.01120358 -0.00563444 -0.00322061 -0.00122285 +C 3.30741309 5.25685913 5.45638489 -0.00251394 -0.00016428 -0.00078487 0.01336253 -0.02343943 -0.00866011 0.00444248 -0.00497215 -0.00121523 +H 5.35204250 4.92790812 5.11854862 -0.01185466 0.00267081 -0.01151583 0.06574302 0.01361955 -0.08771936 0.02748165 -0.00097543 -0.00851256 +C 7.46321014 6.85032727 5.97707695 0.00232269 0.00285515 0.00482587 0.03382325 -0.00089003 -0.00010654 0.00636134 -0.00135615 -0.00407797 +H 6.37028123 8.44488421 6.38336353 -0.02221123 -0.01161868 -0.03743212 -0.06220969 0.04822422 -0.15484163 0.00738433 -0.00779103 -0.00651257 +O 7.56713611 5.67663430 5.57191827 0.00272125 0.00426616 -0.00145872 0.02122778 0.03569134 0.00018426 0.00354028 0.00467272 0.00117863 +C 8.66626248 7.74182822 5.95142570 0.00469548 -0.00002807 -0.00466484 0.04129010 -0.00612882 -0.03308967 0.00415592 0.00342797 0.00111950 +H 8.38954896 8.66277599 6.26996242 -0.00277266 -0.01418835 -0.00391469 0.02092859 0.11543227 0.04482290 0.02178686 -0.01242557 -0.00914620 +H 9.42027267 7.27417030 6.58352331 -0.00195126 0.01811585 -0.00336707 0.06284082 0.12202867 0.04524778 0.01680784 0.01297618 0.00580271 +H 9.16135531 7.84289452 4.91965838 -0.00522371 0.00395553 -0.00203424 -0.09872985 -0.00083970 0.00441941 -0.00167215 -0.00086698 -0.03267457 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94189791 5.97070404 5.66970506 0.00074154 -0.00147573 0.00652753 0.01556829 -0.00911035 0.04995313 0.00293658 -0.00172225 0.00913672 +C 2.30082245 6.16412210 5.75247206 0.00324909 0.00207688 0.00207936 0.01451375 0.02473278 -0.02215992 -0.00008640 0.00429001 -0.00581178 +H 0.54794013 5.71476388 6.44763877 0.01478197 -0.00871362 0.00830726 0.08014366 -0.07435995 0.09346636 0.02084674 -0.00154670 -0.01203758 +C 2.95857295 6.64732262 4.58041347 -0.00092099 0.00549297 0.00024642 -0.00161473 0.02202364 0.01557742 0.00160740 0.00153240 0.00156519 +H 2.63299404 5.51714888 7.77735696 -0.02305180 -0.03575901 -0.01674910 -0.09968680 -0.21458366 -0.15231794 -0.00298239 -0.02153303 -0.01809382 +C 4.33936161 6.80598954 4.58547984 0.00611405 0.00217697 -0.00912928 0.01428867 0.01382811 -0.07641720 -0.00007121 0.00083454 -0.01040813 +H 2.41909582 6.80871606 3.63414721 0.02060543 -0.01824750 0.01172647 -0.00273876 -0.04955935 0.00989819 -0.02297317 0.00568382 -0.00843749 +C 5.07402048 6.52514007 5.70532954 0.00283693 0.00072485 -0.00485316 0.03739078 0.00004847 -0.03341419 0.00305844 -0.00137485 -0.00328409 +H 4.73362528 7.15072813 3.64902264 0.01954613 -0.02419743 -0.01466474 0.16092346 -0.12201940 -0.06482458 0.01196346 -0.00855405 -0.00060597 +C 4.52149372 5.96176468 6.84572835 -0.00679239 -0.00168196 0.00275901 -0.05573440 0.00690415 0.00912188 -0.00586751 0.00347459 -0.00029854 +N 6.40780709 6.83522097 5.45732039 -0.00050267 -0.00298778 0.00681263 -0.00178153 -0.01053218 0.01974218 0.00108930 0.00030187 -0.00196533 +C 3.09701797 5.84431379 6.86118710 -0.00534486 -0.00013828 -0.00501344 -0.03332171 -0.01753470 -0.00450389 -0.00467743 -0.00489759 0.00187421 +H 5.14723292 5.78933250 7.68383986 -0.00794702 -0.01529929 0.00078833 -0.09582114 -0.15138131 0.04274552 -0.02741294 -0.01816633 -0.00630172 +C 7.44251889 7.04470224 6.25016322 -0.00074220 0.00629587 -0.00125286 -0.02702419 0.04595765 0.02625586 -0.00514949 0.00614750 0.00805812 +H 6.53968141 7.19600580 4.57567833 -0.00547705 0.00393059 -0.02636231 0.00860299 -0.09728652 -0.01662264 0.00907222 -0.03212469 0.02708975 +O 7.34788924 6.96041527 7.46185779 0.00135731 0.00219107 0.00322642 0.01539027 0.01210143 0.02572544 0.00279670 0.00147059 0.00414811 +C 8.64765747 7.62976111 5.63448162 -0.00151200 -0.00494063 -0.00333594 0.02504510 -0.02720402 -0.03409883 0.00504171 -0.00318773 -0.00458330 +H 9.53278932 7.34177758 6.23103033 0.01278042 0.00374481 -0.00560610 0.01850005 -0.02394662 -0.09747167 0.00800830 -0.01792282 -0.01547487 +H 8.79834073 7.22099203 4.61609465 -0.02268162 0.00861404 -0.01285280 -0.12483567 0.07621285 -0.05090054 -0.00745905 0.01153120 -0.01505960 +H 8.72678003 8.73665742 5.53802144 0.00220095 -0.00314484 0.02636928 -0.09646026 -0.06347195 0.18609772 -0.02198330 0.00118087 0.01894687 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99844191 5.60703426 5.78648400 -0.00114108 0.00059015 0.00146056 -0.00256904 0.00694053 0.00764620 -0.00218057 0.00177589 0.00160832 +C 2.26591607 6.16782106 5.88239308 -0.00271012 0.00320971 -0.00689872 -0.01932965 -0.02642057 -0.07541894 -0.00132492 -0.00671689 -0.01189744 +H 0.27289607 5.95949908 6.20969283 -0.00080403 -0.00775932 -0.00085643 0.01286141 0.06132519 0.05682366 0.03219130 0.01015147 -0.00063251 +C 2.53890857 7.41523464 6.40973741 -0.00236948 -0.00713097 0.00252997 0.03684494 -0.02784613 0.03014089 0.01006413 -0.00209174 0.00466793 +H 3.12150007 4.40617339 4.72844196 -0.00410950 -0.00465445 0.03283409 -0.10322309 -0.05217052 0.22186965 -0.01982933 -0.01974652 0.01910190 +C 3.95035843 7.80793895 6.52610809 0.00195919 0.00525007 0.00104588 -0.00266092 0.01576831 0.00145859 -0.00126738 0.00175466 0.00087675 +H 1.74235067 8.03613096 6.78799002 0.00567528 -0.01266605 0.00479129 0.01624004 -0.03273395 0.04172145 0.00621893 -0.00162829 0.00593783 +C 5.01249046 6.91493760 6.11160878 0.00217879 0.00856328 0.00167992 0.00190120 0.06098431 -0.00701937 -0.00091422 0.00511920 -0.00581481 +H 4.24555086 8.74885916 6.88023594 0.01789562 0.01159336 0.00719677 -0.00915218 0.02762483 0.08648917 -0.02657333 -0.02184290 0.00730598 +C 4.66519133 5.75618068 5.39491021 -0.00165505 -0.00112227 -0.00428537 -0.03891243 0.00164030 -0.00510209 -0.00434490 0.00032513 0.00269530 +N 6.33196516 7.37683622 6.22509967 0.00563729 0.00050778 -0.00504386 0.05133730 -0.00472525 -0.04127767 0.00513500 0.00208990 -0.00489129 +C 3.29848201 5.36058421 5.27755404 -0.00356031 -0.00504408 -0.00015956 -0.01458162 -0.00665564 0.01745971 -0.00150661 0.00240009 0.00492942 +H 5.37040782 5.12464143 4.97095119 -0.02441093 -0.00750428 0.02637905 0.02790762 -0.14086551 0.07926146 -0.00532005 0.00457072 0.01277884 +C 7.54699914 6.79508988 5.90874893 0.00201663 -0.00072530 0.00232417 0.00309272 0.00540719 0.00808184 0.00064930 0.00041471 -0.00087733 +H 6.52213188 8.31771043 6.45947565 -0.00937155 -0.01709170 -0.00484251 -0.11064955 0.05416033 0.02026284 -0.01181786 -0.00451762 -0.00158356 +O 7.65621295 5.58269884 5.68987137 0.00387599 -0.00228369 -0.00198117 0.03352077 -0.00325818 -0.01229031 0.00544224 0.00191122 -0.00133432 +C 8.75965683 7.80994610 5.75314767 -0.00036178 0.00489484 0.00433867 -0.03926537 0.00568695 0.03992477 -0.00958357 -0.00274515 0.00600679 +H 9.39226299 7.59240313 4.90038889 -0.01809624 -0.00779184 0.02177974 -0.03367083 -0.09651437 0.02497675 -0.00188377 -0.01161804 -0.00138967 +H 8.44388181 8.82312408 5.67553505 -0.01272843 -0.00414507 -0.00317485 -0.10939105 0.03000549 -0.05166820 -0.00451605 -0.00788735 -0.00307783 +H 9.36685191 7.83837668 6.66289314 -0.02214802 -0.02423412 -0.01260663 -0.02678154 -0.18398411 0.05405899 0.00644957 -0.01669414 0.01818855 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00572960 5.63159933 5.88968908 -0.00055652 0.00350359 -0.00397806 -0.00767697 0.01555108 -0.02831309 -0.00179183 0.00126445 -0.00384852 +C 2.28276368 6.10312955 5.96564146 -0.00420178 -0.00341399 0.00255373 -0.00716652 -0.02295811 0.00780583 0.00313122 -0.00269939 -0.00030917 +H 0.95861036 4.78152496 5.53638182 0.00431635 -0.01713994 -0.00262219 0.01299682 0.00217132 0.02754921 -0.00188748 0.00993254 0.00745785 +C 2.56066796 7.37736216 6.44715778 0.00377780 -0.00183080 0.00512927 0.04557713 -0.02963374 0.02877114 0.00412112 -0.00410118 0.00489912 +H 3.13748484 4.41573079 4.99394986 0.02110449 -0.00473106 -0.01550450 0.12328821 -0.05398021 -0.00568006 0.00871614 -0.00093707 0.01953749 +C 3.93468998 7.78783422 6.43334116 0.00188993 0.00315987 -0.00419502 -0.02163324 0.03140399 -0.01136793 -0.00612532 0.00926642 0.00309594 +H 1.77026048 7.93353523 6.81806815 0.01917350 -0.00561391 0.01229574 0.06009494 0.07837465 0.13173637 0.02765744 -0.00316315 0.00360270 +C 5.01658354 7.03641468 5.91662030 -0.00736447 -0.00339320 0.00373671 -0.02917173 0.00521980 0.02551741 0.00063055 0.00386834 0.00211679 +H 4.03243395 8.68562114 6.92042546 -0.04307882 -0.01193798 0.00718140 -0.05796786 0.12256884 0.03092286 0.02433701 0.00311540 -0.02269274 +C 4.69196894 5.79438107 5.42435981 -0.00713139 0.00302244 -0.00114927 -0.04936387 -0.00278532 0.00044553 -0.00686028 -0.00099446 0.00312351 +N 6.31637048 7.56035708 5.94506344 0.00430099 0.00152801 -0.00674107 0.01956356 -0.02393640 -0.04295707 -0.00232303 -0.00638563 -0.00486373 +C 3.35472221 5.33616065 5.46618586 0.00281729 -0.00016648 0.00390561 0.00202415 -0.01680043 0.00667158 -0.00358237 -0.00588661 -0.00250265 +H 5.47822953 5.08700368 5.05426818 -0.00391915 -0.00072712 0.04186710 -0.08533213 -0.01260697 0.15952922 0.00592934 -0.02085508 -0.00839922 +C 7.49302838 6.81773302 5.86166877 0.00019204 0.00533581 -0.00495442 -0.00857242 0.04238528 -0.04357871 -0.00017830 0.00372351 -0.00752719 +H 6.42225019 8.57024669 6.09934848 -0.02444348 -0.01495229 -0.00818148 -0.09345386 -0.01979293 -0.01012094 0.00626663 0.00516132 0.00311207 +O 7.58734926 5.61553691 5.51792977 0.00471431 0.00011875 -0.00011324 0.03144087 0.02365414 0.00928242 0.00363388 0.00699751 0.00256526 +C 8.75442354 7.64644842 6.11798229 0.00226458 -0.00341817 0.00345065 0.00632018 -0.03437844 0.01680167 0.00177246 -0.00612168 -0.00011932 +H 8.81053448 8.20142192 7.08918913 0.00204307 -0.00568114 -0.01807968 -0.03263383 -0.05912368 0.00079255 -0.01326915 -0.00493961 0.02935966 +H 9.51945685 6.90205105 6.03869856 -0.02276055 -0.00404189 0.01141056 0.05867983 -0.06540134 0.13380409 0.01875544 0.00128497 0.02350827 +H 8.92888350 8.33787891 5.31027532 0.01422365 -0.00550668 0.02923065 0.10390059 0.04638176 0.06026638 0.01103067 0.00309241 -0.00062294 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03087996 5.78590580 5.74540337 0.00499764 0.00054333 0.00375440 0.00877031 0.01389275 0.02919742 -0.00169922 0.00156165 0.00389932 +C 2.28565019 6.17791395 5.89393863 -0.00175693 0.00413883 -0.00148129 0.03585168 -0.00077727 -0.02391661 0.00868073 -0.00306712 -0.00509358 +H 0.88644607 4.86523897 5.54338619 0.01642383 0.02538599 -0.01164393 0.11208850 0.02245527 -0.12337320 0.01256514 0.00741004 -0.01440093 +C 2.62726970 7.48027373 6.26891185 -0.00094344 -0.00224613 -0.00387631 0.00593983 -0.00735364 -0.02717190 0.00107763 0.00095745 -0.00312842 +H 2.99938909 4.24373594 5.15844372 -0.01197639 -0.00290570 -0.00429992 0.02290417 0.03787568 0.06594948 0.00691594 -0.01144827 0.00905917 +C 3.99909760 7.85601110 6.32453213 0.00129222 -0.00335859 0.00599610 0.00249632 -0.03264748 0.04913613 -0.00055137 -0.00411698 0.00751527 +H 1.87178659 8.19179700 6.47277130 -0.01770499 -0.02045090 -0.01390496 -0.10839247 -0.07171431 -0.05371561 0.00730684 -0.00767774 -0.00371075 +C 5.03413239 6.89429854 6.07202523 0.00004741 0.00232617 0.00070035 -0.01974895 0.00582790 0.00228665 -0.00540192 -0.00219445 -0.00002428 +H 4.20976384 8.84598989 6.68431328 0.01618541 -0.00437106 0.00339615 0.10278619 -0.02558629 -0.02132823 0.00509199 -0.00718044 -0.00731406 +C 4.66534939 5.58147335 5.65160850 0.00133678 -0.00107438 0.00363080 0.00105347 0.00181341 0.03380129 -0.00110618 0.00098528 0.00475398 +N 6.33736237 7.34014950 6.21222846 -0.00575218 -0.00048232 -0.00486078 -0.04092665 -0.00593615 -0.03652262 -0.00687513 -0.00237955 -0.00511265 +C 3.31978564 5.22502069 5.57478562 -0.00066544 0.00198832 -0.00509457 -0.03052750 0.02631599 -0.03806020 -0.00366863 0.00593735 -0.00449776 +H 5.33164815 4.75607756 5.45918224 -0.00577954 0.01294323 0.00186167 0.11794698 0.08620240 -0.03069669 0.02218712 0.01611447 -0.00499569 +C 7.50537273 6.80228365 5.82828760 -0.00359062 -0.00820559 0.01188863 -0.04215982 -0.02639790 0.09658781 -0.00539508 0.00146840 0.01342753 +H 6.46582086 8.32537492 6.52179207 -0.02664325 -0.00203930 -0.00440357 -0.17960491 -0.03757758 -0.04093464 -0.01301685 0.01572052 -0.00123270 +O 7.70676391 5.63910671 5.53573566 0.00534646 0.00397792 -0.00108319 0.03843486 0.01427754 -0.01224126 0.00490188 0.00010464 -0.00183686 +C 8.53253752 7.86053719 5.89714656 -0.00164654 0.00296420 -0.00007924 -0.01004255 -0.00078394 -0.03769957 0.00024303 -0.00261376 -0.00939994 +H 8.61995936 8.15061760 6.95300696 0.02104252 -0.02340907 -0.04280922 0.23423042 -0.00166972 -0.02659274 0.03333312 0.02076970 0.01074424 +H 9.40409360 7.40453612 5.48356194 -0.00660501 -0.01768417 -0.00462935 0.01525282 -0.01715494 -0.03837165 -0.00273470 0.01332710 -0.00326973 +H 8.08747984 8.62894381 5.32028539 0.00142546 0.00878551 -0.03764825 0.18308591 0.04770583 -0.14748311 0.04599925 -0.00891403 0.01109550 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.91594933 5.78331512 5.94582865 0.00210762 0.00449944 -0.00222897 0.03991640 0.02880884 -0.00982230 0.00776597 0.00504889 -0.00277264 +C 2.30257385 5.91809361 5.98140683 0.00746888 0.00161841 0.00072505 0.01336551 0.02054533 -0.01599849 -0.00294584 0.00393119 -0.00456206 +H 0.57003159 6.21225386 5.21404546 0.02622791 0.01369321 0.00516347 0.08060117 0.10667638 -0.02480391 0.00816048 -0.00402652 0.02000537 +C 3.02630085 5.65727553 7.12982504 -0.00162403 -0.00166964 -0.00186134 -0.00517335 -0.00940975 0.00936136 0.00138886 -0.00019812 0.00131567 +H 2.34458026 6.66535761 4.00002078 -0.02034133 0.01390288 -0.01207007 0.00731415 0.10102379 -0.01436366 0.02150757 0.00944019 0.00536346 +C 4.36844043 6.02830230 7.21309449 0.00242989 0.00124805 0.00444006 0.01894493 -0.01925307 0.00671590 0.00048682 -0.00671544 -0.00259173 +H 2.55570363 5.25775329 8.05100699 -0.01341285 -0.02642256 -0.00891200 -0.07628808 -0.10730041 -0.15298381 -0.01514855 -0.01105419 -0.00683717 +C 5.13216656 6.39521537 6.03405299 0.00009591 -0.00700861 0.00323342 -0.01568165 -0.02938578 0.05136217 -0.00466623 -0.00049880 0.00870043 +H 4.80833293 5.78407789 8.22523991 -0.00368342 -0.00460315 -0.01468924 0.09337217 0.03449784 -0.07869786 0.03608783 0.00540994 0.01807353 +C 4.42696753 6.68773473 4.84194580 0.00111925 -0.00081361 0.00111541 -0.03544991 -0.02064684 0.03021773 -0.00913937 -0.00577043 0.00715421 +N 6.49385925 6.60905047 6.28549565 -0.00222093 0.00001192 0.00456298 -0.02698356 -0.00695172 0.04134603 -0.00344314 -0.00004510 0.00484788 +C 2.95849642 6.48346584 4.86083596 -0.00911471 -0.00210281 -0.00312866 -0.00819682 -0.00767103 -0.03662833 0.00630425 0.00047351 -0.00611590 +H 5.01586078 7.12825620 4.03494834 0.01517485 -0.02553187 0.01268673 -0.01475012 -0.16582878 -0.02884211 -0.02098715 -0.01659713 -0.01428351 +C 7.40056689 7.37311716 5.74123329 -0.00083656 -0.00158777 -0.00510718 0.00458233 -0.00729570 -0.05418225 0.00069815 -0.00311789 -0.00632821 +H 6.76918822 6.17634704 7.18113876 -0.00415954 0.02378144 0.00759365 0.03943627 0.12678459 0.05067268 0.01471538 0.00400522 0.01945351 +O 7.22112380 8.08434289 4.74695735 -0.00028175 -0.00019780 0.00303879 -0.01331073 0.00180891 0.01599542 -0.00379024 0.00154949 -0.00005743 +C 8.81948732 7.30105588 6.23095632 -0.00004394 0.00276592 -0.00500511 0.00360273 0.01870011 -0.02166746 0.00324680 0.00061751 -0.00395242 +H 9.16408828 6.32101590 6.44925363 0.01001479 0.02726413 -0.00052811 0.03445801 -0.03157946 0.02613991 -0.00831711 -0.00813095 -0.00141985 +H 9.44003227 7.56368573 5.40010445 -0.01129488 0.00933073 0.01523147 0.06122741 0.17017914 0.00254667 0.01022209 0.02415778 0.00352939 +H 9.02526025 7.92305594 7.14399805 0.00937650 -0.00989209 -0.01414701 0.01334966 0.02459418 -0.08495322 -0.00636996 0.02708318 0.00969097 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96613328 5.71993974 5.72261002 0.00038117 -0.00026616 0.00151944 0.01170020 -0.00487586 0.01167612 0.00277179 -0.00185402 0.00106333 +C 2.28001105 6.09871818 5.87996212 0.00059127 -0.00596546 -0.00803478 0.00213330 0.00078722 -0.06421383 -0.00112511 0.00636192 -0.00929145 +H 0.40495470 6.22524386 6.34047065 -0.00181439 -0.00204504 -0.01541646 -0.06841862 0.01250803 -0.10506768 -0.01934375 0.01292217 -0.00692257 +C 2.59688724 7.43622798 6.29359967 0.00463627 0.00101862 -0.00174058 0.01237715 -0.04495531 -0.00401930 -0.00219492 -0.01164171 0.00126659 +H 3.08167690 4.36106713 4.86769862 0.01934168 -0.02580053 -0.00160126 0.10943417 -0.04411657 0.10602614 0.00109602 -0.00030266 0.02232995 +C 3.93093724 7.81754765 6.52303767 -0.00654727 0.00185602 -0.00067336 -0.01870319 0.00521175 -0.00279270 0.00412833 -0.00336802 -0.00104870 +H 1.74427138 8.04897597 6.59906484 0.01823950 -0.03551127 0.01538998 0.05153502 -0.04518502 0.11810229 -0.00197903 0.01619447 0.01337072 +C 4.99026725 6.91363040 6.19005783 -0.00058378 0.00024613 -0.00434253 0.01924337 0.02293130 -0.02183451 0.00357180 0.00722319 -0.00116136 +H 4.00981065 8.82293894 6.98084419 0.01175505 -0.00322800 0.02623389 0.15513865 -0.12782780 0.08638614 0.02248095 -0.00841319 0.00705740 +C 4.70056195 5.66551246 5.57168503 -0.00497824 0.00523175 0.00312371 -0.05390478 0.02683877 0.01374574 -0.00936446 0.00212805 0.00044915 +N 6.36259386 7.30639324 6.36425536 0.00355031 0.00375340 0.00788686 0.00844027 0.01874565 0.04267818 0.00046636 -0.00117623 0.00245509 +C 3.33099412 5.28278525 5.38751130 -0.00968731 0.00141343 0.00193090 -0.03261359 -0.00870177 0.00835938 0.00233322 -0.00319179 0.00068742 +H 5.48680812 5.02743329 5.23862280 0.01411724 -0.00645242 -0.00352938 -0.09236676 -0.00077703 0.01981414 -0.03284496 0.00386476 0.00895647 +C 7.51349867 6.81524451 5.85013387 0.00387078 -0.00071409 0.00442149 0.02552459 -0.01259497 0.02021299 0.00175830 -0.00153630 0.00202417 +H 6.49139891 8.22760313 6.86007731 0.02169398 -0.01087753 0.00680683 0.09158310 -0.04785440 0.04526829 0.00290785 0.02318646 0.02042634 +O 7.68613120 5.68020551 5.34788905 -0.00412157 -0.00172743 -0.00092079 -0.03150475 0.00502543 0.00122351 -0.00467622 0.00264944 0.00108001 +C 8.69456076 7.80054687 5.84602521 0.00380667 -0.00202495 -0.00702388 0.02799315 -0.00495189 -0.02697749 0.00327545 -0.00085281 -0.00080797 +H 9.58230747 7.25724053 6.23022822 0.03471096 0.00644080 0.00354746 0.06162502 0.16647378 -0.07171989 0.00129622 0.02395020 -0.01285010 +H 8.86914094 8.24027580 4.81951363 0.00796941 0.01892073 -0.00195589 0.03596130 0.01357010 0.06274016 0.00350197 -0.00547328 -0.01144853 +H 8.42304175 8.62893666 6.53687079 -0.01003116 0.02539145 -0.00154384 0.06644483 -0.00573403 -0.13564338 0.01824053 -0.00409089 -0.01513332 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.93050320 5.96448458 6.00466752 0.00574236 -0.00037704 0.00190906 0.04381488 -0.00584999 0.00435638 0.00719714 -0.00166732 0.00195137 +C 2.30269824 6.00986495 5.99337165 0.00548531 -0.00175647 -0.00421121 0.02160538 -0.01757646 -0.01850949 0.00060920 -0.00315247 -0.00096492 +H 0.56737089 6.12118097 5.11461562 0.00316144 -0.00997263 -0.01279381 0.03704377 -0.08293346 0.04234291 -0.00884911 -0.00787766 -0.01574793 +C 3.04094660 5.67120889 7.16242837 0.00396625 0.00242535 0.00032975 0.01032108 0.01743532 -0.00339544 -0.00277616 0.00267431 -0.00054030 +H 2.54667748 6.45097559 3.79850339 0.02049776 0.00815922 -0.02332291 -0.02610627 0.11598650 0.02391327 -0.03554442 0.02275039 0.01350892 +C 4.45033491 5.78547740 7.13208727 -0.00417025 -0.00304607 0.00378834 -0.01173729 -0.00021492 0.01608645 0.00251418 0.00239894 0.00138352 +H 2.57081350 5.31833690 8.03428107 -0.01785609 0.02147432 0.01780425 -0.06982608 0.15446474 0.02329903 0.00761480 0.02126480 -0.02099804 +C 5.10102688 6.41985773 6.05792418 -0.00143156 -0.00569037 -0.00926047 0.00263773 -0.05933027 -0.03439667 0.00134674 -0.01063059 0.00120437 +H 5.07656676 5.56839137 7.94870824 0.01187718 0.00369107 0.00446286 -0.06847241 -0.02784185 0.09561643 -0.03720003 -0.00384073 0.00468711 +C 4.35701006 6.64784746 4.85782535 -0.00185492 0.00504242 0.00452237 -0.02563706 0.03599697 0.01880949 -0.00631143 0.00397660 -0.00097410 +N 6.48277484 6.61186205 6.32262390 -0.00094747 0.00217628 0.00108091 -0.03658506 0.01477108 0.00748051 -0.00841379 0.00217545 0.00005272 +C 2.97722248 6.38064534 4.80786340 -0.01021278 0.00170596 -0.00237716 -0.03225116 0.01420656 -0.02290137 0.00289348 0.00273651 -0.00216149 +H 4.78511155 7.08931598 3.96479747 -0.03630051 -0.01555438 -0.01582955 -0.07400291 -0.10163577 -0.05769409 0.01928598 -0.00583455 0.00466411 +C 7.37147458 7.38528670 5.71221119 -0.00488545 -0.00218416 0.00815298 0.00923456 -0.01146786 0.03730704 0.00677754 0.00053719 -0.00048093 +H 6.77971580 6.23259294 7.22997693 -0.00329724 0.00119107 0.00466333 -0.00723825 0.02065940 -0.03646442 0.00318283 -0.00385205 0.00423031 +O 7.28634246 7.91724003 4.65008087 0.00011985 -0.00065387 -0.00172003 -0.01871086 -0.00103575 -0.01998974 -0.00502080 -0.00054788 -0.00203117 +C 8.74190659 7.48413761 6.32964381 0.00677065 -0.00009156 0.00436678 0.04398804 0.00902666 0.01863766 0.00444438 0.00105543 0.00231709 +H 9.44906917 6.75892005 5.91821262 -0.00237543 0.01795520 -0.02224068 -0.01289351 0.01127903 -0.07944939 -0.00039442 -0.01370154 0.00355985 +H 9.22489697 8.46848427 6.12879733 0.00794328 -0.01234248 -0.00574694 0.00096863 -0.03142273 -0.07819977 -0.00052954 0.01711454 -0.01580658 +H 8.67984785 7.47563003 7.41058426 0.01192913 0.01435554 -0.02830584 0.11404795 -0.01243869 0.07214897 0.02163289 -0.01627827 0.02501895 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01977098 5.76949111 5.72267652 0.00295999 0.00054262 0.00680247 0.01179273 0.00038769 0.05039396 0.00029175 -0.00060628 0.00741132 +C 2.31095942 6.10453033 5.94715187 0.00034541 -0.00765702 -0.00513629 0.00856906 -0.02825829 -0.03324741 0.00181002 0.00326496 -0.00355303 +H 0.87405338 4.81212142 5.61558265 0.01728592 0.01122315 0.00055230 0.09354912 0.01079306 -0.02296367 0.00422149 -0.01547666 -0.00774635 +C 2.65584717 7.41276433 6.29275761 -0.00692871 0.00141548 -0.00471737 -0.02369525 0.02082290 -0.04313931 0.00035556 0.00260869 -0.00747456 +H 3.26624535 4.16415289 5.32148904 0.01956515 0.01026460 -0.00585560 -0.06138688 0.01516208 0.01218029 -0.03373926 -0.01189717 0.00639511 +C 4.01612817 7.85386011 6.30572680 0.00540208 -0.00386320 -0.00374784 -0.00146945 -0.03007422 -0.01986936 -0.00703285 -0.00490917 -0.00157370 +H 1.88376017 8.14624775 6.37680850 -0.00276741 0.00740789 0.00256814 -0.03567457 0.02418641 0.07562069 0.00123596 -0.00894214 0.01402699 +C 5.00806211 6.91881197 6.00553452 0.01015855 0.00057968 0.00034287 0.05544234 0.02654291 0.00142203 0.00391194 0.00479124 -0.00040890 +H 4.32231911 8.90242788 6.48903410 -0.01499261 -0.00054690 0.02132405 -0.15802309 -0.07637064 0.12779160 -0.01647542 -0.00274314 0.01458329 +C 4.68252485 5.62708409 5.66137420 0.00059468 -0.00069505 0.00109437 0.00079503 -0.02681198 0.02220139 0.00227114 -0.00599217 0.00492241 +N 6.25988102 7.44244522 6.06447455 0.00675896 0.00795962 -0.00018893 0.04948892 0.05464386 0.00959515 0.00674224 0.00806142 0.00339710 +C 3.34992503 5.19497702 5.67424045 -0.00343497 0.00230858 -0.00134990 -0.00135657 0.00648605 -0.02464452 0.00308457 -0.00124519 -0.00554146 +H 5.40226238 4.87744354 5.52568116 -0.00517569 -0.01576911 0.01377458 0.00700308 -0.07523827 0.00044705 -0.00767893 0.00941580 -0.00921082 +C 7.42942270 6.89422545 5.85434592 -0.00322098 0.00469959 -0.00412149 0.00518951 -0.00971617 -0.05082657 0.00453701 -0.00428931 -0.00845275 +H 6.33616750 8.35417006 6.47551068 0.00489317 -0.01939097 0.01314128 0.03138387 0.04775413 0.10128249 0.00598616 0.01406747 0.00440915 +O 7.58299106 5.72396317 5.43570751 -0.00765226 0.00098248 0.00032089 -0.05360166 0.01789647 0.00529448 -0.00725808 0.00243235 0.00034977 +C 8.67323499 7.70394250 6.06403474 0.00073163 -0.00711733 0.00836345 -0.00084303 -0.02460414 0.02267628 -0.00241765 -0.00346263 0.00006440 +H 9.06130859 7.47908771 7.08519909 -0.04090549 -0.01068358 -0.03304407 -0.14752741 -0.03707380 0.09006661 -0.00024271 0.00219572 0.04643510 +H 9.46913673 7.36545643 5.37028190 -0.00979528 -0.00299170 -0.00132298 -0.05598965 -0.04552193 0.02169387 0.00857418 -0.00928211 0.00063313 +H 8.60819931 8.80076716 5.83597990 -0.03101848 0.00875511 -0.01109014 -0.20541996 -0.13139719 0.07121167 -0.02268839 -0.00831686 0.02243898 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00941734 5.66552108 6.00057531 -0.00254127 -0.00146926 0.00463189 -0.01699584 -0.02167226 0.01452758 -0.00139095 -0.00335559 0.00165244 +C 2.31863082 5.98830595 6.00403534 0.00536102 -0.00157829 0.00081199 0.00299817 0.00118045 0.01350738 -0.00500332 0.00036024 0.00065019 +H 0.80917753 5.21196309 5.20184027 -0.02089682 -0.00652038 -0.01578206 -0.13112429 0.02695786 0.05885928 -0.02050635 0.00007156 0.00502724 +C 2.70471166 6.88192171 6.99690650 -0.00034631 0.00785589 -0.00387551 0.01424611 0.03669164 -0.02646283 0.00445593 0.00387695 -0.00181129 +H 2.88882121 5.09285816 4.17547891 0.02310757 0.01766054 -0.02073580 0.05988201 -0.01301607 -0.17930254 -0.00434448 -0.00563943 0.00421891 +C 4.03525458 7.28761805 7.05007112 0.00259341 -0.00217992 0.00099306 0.02985305 0.01058823 0.03023956 0.00448738 0.00216330 0.00391717 +H 1.97900150 7.13543315 7.75606353 0.02074156 0.01267179 -0.01219711 0.05123236 0.17407832 -0.00847503 -0.00095433 0.02688133 -0.00304434 +C 5.00693766 6.88755430 6.09517674 0.00679468 -0.00321100 0.00669563 0.02301191 -0.01114041 0.04515098 -0.00254324 -0.00254949 0.00243476 +H 4.25779251 7.98036034 7.90391291 -0.00930852 0.01535314 0.01473355 0.00955628 -0.02718312 -0.06129983 0.02143814 0.00794109 0.00603867 +C 4.55914233 6.10848455 5.08086481 -0.00489107 0.00356628 -0.00350350 -0.05419417 -0.00672982 -0.05499528 -0.00709527 -0.00283228 -0.00861517 +N 6.30821128 7.37602922 6.17842042 -0.00619167 0.00041664 0.00094942 0.00221848 -0.00557807 0.01067289 0.00660714 -0.00027812 0.00498427 +C 3.20753027 5.64233749 5.00927923 -0.00869383 -0.00784799 -0.00744863 -0.01910385 -0.03578517 -0.05296345 0.00165020 -0.00294069 -0.00900233 +H 5.15458297 5.79681773 4.23379440 -0.00762992 0.00594382 -0.00600870 0.03507204 0.07702890 -0.01447612 0.01088232 0.01247029 -0.00215261 +C 7.50563182 7.00838171 5.58630076 0.00594710 0.00213032 0.00484411 0.00039147 0.01322827 0.05036263 -0.00543851 -0.00048563 0.00545719 +H 6.48404359 7.94113715 6.96359616 -0.01156712 -0.01277330 0.00214340 -0.08815700 -0.00975020 0.07734112 -0.01081084 -0.00399812 -0.00424042 +O 7.61648688 6.35888040 4.56418213 0.00176499 -0.00147100 -0.00028259 0.01292748 -0.00746563 0.00271482 0.00168802 0.00036228 0.00275845 +C 8.74804996 7.38166337 6.45380583 -0.00262635 0.00088390 -0.00174502 -0.00448320 0.02111588 -0.02108376 0.00051241 0.00686743 -0.00075970 +H 9.69324060 6.99446512 5.97890119 0.01728218 -0.00566279 -0.00462420 -0.06049834 0.07896201 0.02499871 -0.00519258 0.01353938 -0.01134446 +H 8.72995914 8.41960634 6.62330738 0.00729872 0.02619183 0.00883623 0.10411099 0.05725837 -0.06503794 0.01542090 -0.02649601 -0.02250715 +H 8.67241088 7.06725151 7.48410751 0.03001662 -0.00744864 -0.01012847 0.14042062 -0.17167738 -0.06102188 0.00447601 -0.02653723 -0.01916785 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03320928 5.88595142 5.89762174 -0.00573897 0.00321276 0.00286378 -0.02631882 0.02976443 0.01207626 -0.00153704 0.00248028 0.00138644 +C 2.36490458 6.15155754 5.78861615 0.00828509 0.00134990 -0.00215172 0.01579823 0.00397664 0.00289934 -0.00585314 -0.00019147 0.00300849 +H 0.81027601 5.03116834 6.15575057 -0.00893193 0.02091159 -0.00728960 -0.06439065 -0.01606617 -0.00798155 0.00335350 0.02045712 -0.00812498 +C 2.70692543 7.48943509 5.58198933 0.00331254 0.00328377 0.00671192 0.00802016 0.02214353 0.04711678 0.00084158 -0.00070920 0.00668633 +H 2.99548782 4.11390267 6.14296381 0.01258003 -0.01111790 0.00278857 0.12378230 -0.01164367 0.07087937 0.00609325 -0.01376573 0.01557672 +C 4.05386299 7.86397472 5.65181190 0.00335168 -0.00585032 -0.01030589 0.00120907 -0.03141448 -0.06265036 -0.00159924 -0.00261240 -0.00684903 +H 1.88343386 8.23182139 5.46971571 -0.02536515 -0.00360952 0.02307741 0.02639872 -0.06266362 0.10530507 0.00680794 0.01399992 0.00351019 +C 4.97626611 6.87796046 5.97755152 -0.00038623 -0.00273111 -0.00083401 0.04511389 0.01160605 -0.02573780 0.01070083 0.00268386 -0.00674298 +H 4.31592054 8.91040629 5.50455630 -0.00035585 -0.00696667 -0.00321424 0.01961563 -0.04500787 -0.02824279 0.00514662 0.00016317 -0.00831685 +C 4.65422889 5.54984161 6.08356360 0.00700275 -0.00077268 0.00126275 0.03545915 -0.04867804 0.02151305 0.00332061 -0.01169065 0.00486521 +N 6.26747091 7.37965014 6.01734375 0.00332338 0.00329216 -0.00571601 0.01073739 0.02304463 -0.03743199 -0.00033416 0.00273033 -0.00439865 +C 3.33792517 5.16995813 6.07519327 -0.00057253 -0.00569953 -0.00273310 -0.01714175 -0.03647413 -0.03700205 -0.00034030 -0.00251058 -0.00720133 +H 5.29238821 4.73747467 6.19697614 -0.00070004 -0.02643949 0.01879885 0.11448341 -0.02049361 0.13258412 0.01388609 0.03382853 0.01335137 +C 7.44898773 6.80868683 5.94788043 -0.00020424 0.00194942 0.01020153 0.00138893 -0.00592118 0.06576800 -0.00011638 -0.00244052 0.00699527 +H 6.40168998 8.39444948 5.98282879 -0.01247888 0.00005021 -0.00977318 -0.13643239 0.01727046 -0.03827419 -0.01537362 0.01354301 -0.00223201 +O 7.65546196 5.57767408 5.82418875 -0.00738393 -0.00005927 -0.00274412 -0.04740962 0.01809332 -0.01427417 -0.00565455 0.00448795 -0.00106924 +C 8.55227063 7.85707668 6.04916689 -0.00277045 0.00098193 0.00272756 -0.01471432 -0.01054544 -0.00429345 -0.00022689 -0.00248923 0.00008332 +H 8.66294140 8.21800911 5.01977863 -0.00055919 0.03211009 -0.01037795 0.02570651 0.17017627 0.11843073 0.00400163 0.01710036 0.02809807 +H 8.34698502 8.65932787 6.72476067 -0.01417929 -0.01546126 0.01016916 -0.06917651 -0.07508844 0.12165896 0.00086433 -0.02122189 0.00713282 +H 9.39983225 7.25814474 6.34330752 -0.00260833 0.00395526 -0.00478679 0.08575968 0.09934116 -0.01004703 0.01385076 0.02519449 -0.00297948 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03067189 5.82842757 5.59707622 -0.00133122 0.00338078 0.00135281 -0.00975682 0.03013379 0.02216053 -0.00219479 0.00405060 0.00334824 +C 2.30633109 6.09292098 5.98417479 -0.00026452 0.00184691 -0.00673770 0.00161660 0.00913058 -0.05826327 0.00057158 0.00173368 -0.00788321 +H 1.14877336 5.29542736 4.80903032 -0.01790665 0.01113542 0.02088757 -0.22137613 -0.02379542 0.02648589 -0.03845252 -0.00282888 0.00758439 +C 2.67081742 7.22966132 6.72471557 -0.00128683 -0.00493846 0.00557309 -0.02792378 -0.04448774 0.03226163 -0.00950654 -0.00459937 0.00499907 +H 3.01776431 4.35056515 4.76959801 0.01250927 0.01316201 0.00641843 0.06409525 0.09881279 0.05567387 -0.00503873 -0.01808844 -0.01264976 +C 4.00755673 7.58023140 6.85513843 -0.00088758 -0.00465286 -0.00356350 -0.00731149 -0.03135136 0.00202167 -0.00073908 -0.00269774 0.00484254 +H 1.95258634 7.71455522 7.21564942 -0.01763481 0.00130149 -0.00568709 -0.12881485 0.08998666 -0.00918481 0.02773130 -0.01132478 -0.02266423 +C 4.99507752 6.82538460 6.25009096 -0.00158995 -0.00475549 0.00119253 0.03081307 -0.04494197 -0.00892164 0.00943927 -0.00584973 -0.00259681 +H 4.29905315 8.26237776 7.59060245 -0.01283528 0.00860284 -0.00647403 -0.08725619 0.17691428 -0.11895608 -0.01372987 0.01461404 -0.04200846 +C 4.64613202 5.63507551 5.53365439 0.00856367 -0.00423292 -0.00364461 0.03426071 -0.01023648 -0.01329843 0.00575315 -0.00160135 -0.00201977 +N 6.33788088 7.23477476 6.41008694 0.00357077 0.00336894 -0.00412946 0.01958626 0.02437729 -0.02849411 0.00080476 0.00402259 -0.00253337 +C 3.28872883 5.26723385 5.38933081 0.00018460 0.00330553 0.00453239 0.02209732 0.02690830 0.02773628 0.00741868 0.00542771 0.00350346 +H 5.31340533 5.01492264 5.07392151 0.01357163 0.02151436 0.00830744 0.23323641 0.02584788 -0.02486949 -0.00440115 0.01309550 0.00935697 +C 7.44093918 6.98740344 5.66190414 0.00542312 0.00039477 -0.00228651 0.02650422 0.00329691 -0.00107842 0.00121241 0.00084787 0.00151140 +H 6.57852320 7.89103761 7.09690165 -0.01712013 0.00783826 0.01068526 -0.16237032 0.01401771 0.05480276 -0.01998775 -0.01448323 -0.01223385 +O 7.48695071 6.31745392 4.64604346 -0.00468033 -0.00075800 0.00296300 -0.03661005 -0.01219620 0.01150077 -0.00508082 -0.00264270 0.00021093 +C 8.76207255 7.56984829 6.13975562 -0.00257864 0.00485331 0.00039873 -0.00168446 0.01306059 -0.00833406 0.00114349 0.00084015 -0.00286879 +H 8.76073424 7.95599946 7.16983512 -0.03034064 -0.01104890 0.01146037 -0.15344816 -0.07724709 -0.00557256 -0.01043911 -0.00320902 -0.00823292 +H 9.55603818 6.83775144 5.92959219 0.01188062 -0.03835226 0.00810951 -0.11442159 -0.04710085 0.20520602 -0.02446111 0.01008028 0.04059580 +H 8.98167463 8.33276584 5.43102881 0.01354368 -0.00513536 -0.01078178 0.10026411 0.05594038 0.01025348 0.01084854 0.00418885 0.02506590 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00020771 5.77045517 5.81776660 -0.00568166 0.00219421 0.00139656 -0.05837133 0.00329390 0.00388552 -0.01071638 -0.00117911 -0.00022376 +C 2.29297660 6.10407247 5.84931627 -0.01091076 -0.00216804 0.00245963 -0.04505061 -0.01162431 0.01761032 -0.00134002 -0.00062938 0.00225810 +H 0.85310736 4.93715068 5.46234906 -0.00850164 -0.01289703 0.00030533 -0.05366442 -0.01531390 0.04794024 -0.00708961 0.00856153 0.01361191 +C 2.60469935 7.45435509 6.05562679 0.00205507 -0.00007045 -0.00112687 0.01974499 -0.00726742 -0.01458801 0.00134702 -0.00308074 -0.00235458 +H 2.98387690 4.07141465 5.73313434 -0.00023651 -0.02237771 0.00272231 0.10008467 -0.00404287 -0.03820009 0.01737148 0.01040743 -0.01077522 +C 3.96134513 7.85946637 6.15357708 -0.00146366 -0.00624121 0.00392388 -0.02408825 -0.02568491 0.02207075 -0.00363022 -0.00310420 0.00136653 +H 1.82648097 8.21638362 6.03823716 0.01596032 0.00428274 0.00438989 0.05500922 0.01841801 0.08300235 -0.00255764 0.00106571 0.01499568 +C 5.01101592 6.94534668 6.07092015 0.00266996 0.00496877 -0.00505074 0.01555212 0.00235419 -0.02784460 0.00288598 -0.00317024 -0.00243831 +H 4.14436671 8.94977187 6.30379652 -0.02496297 -0.00633267 -0.00724959 -0.09649203 -0.06441643 -0.03966225 0.00463326 0.01466375 0.00248626 +C 4.63548547 5.54648392 5.92847884 0.00265461 -0.00367172 -0.00475877 0.01791140 -0.00767938 -0.03398806 0.00310190 0.00083097 -0.00359032 +N 6.29910767 7.45977181 6.22907773 0.00707869 0.01015552 0.00340395 0.06611979 0.04874571 -0.00250734 0.00791414 0.00422875 -0.00404103 +C 3.29924594 5.11011696 5.75567995 -0.00366687 -0.00244281 -0.00208337 -0.03052901 -0.00058834 0.00341763 -0.00252629 0.00283038 0.00269569 +H 5.30288037 4.71760014 5.89461196 -0.00465151 0.00468556 0.03421099 0.13705385 0.05150643 0.19696167 0.01911271 0.02326594 0.01012327 +C 7.50328259 6.88857921 5.83169964 0.00051847 0.00191189 -0.00828987 -0.00681024 0.02756643 -0.04957112 0.00096687 0.00460382 -0.00595228 +H 6.40353798 8.43128434 6.33470556 0.00985111 0.01826911 0.00593253 0.02695001 0.05387836 0.15329408 0.00067560 -0.02146241 0.03160575 +O 7.59820124 5.88871397 5.13715859 0.00371528 -0.00653106 -0.00157432 0.01746128 -0.04580304 -0.00622503 0.00087385 -0.00517070 0.00033081 +C 8.80125740 7.59497210 6.19465582 0.00227101 0.00684625 0.00090027 0.01704385 0.01075474 0.03926933 0.00086966 -0.00094150 0.00510656 +H 9.03879972 7.37248296 7.28035348 -0.00244750 -0.01476747 0.04124607 -0.10580469 0.06200501 -0.06071477 -0.01835972 0.01923353 -0.00215323 +H 9.61731019 7.15281030 5.62303504 0.01143620 -0.01490262 0.02509255 0.05393709 -0.04241144 0.15080125 0.00444165 0.00459843 0.01600060 +H 8.77900715 8.64595963 5.95359388 0.00636912 -0.01790986 0.01599770 0.04511323 0.08272260 0.09835740 0.00806136 0.01339476 0.01321739 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.09496093 5.64405447 5.53181459 0.00077197 0.00014300 -0.00084330 -0.01398893 0.01136865 -0.00029691 -0.00356692 0.00426701 0.00040241 +C 2.27576610 6.16783307 5.86697986 -0.00377014 0.00116764 -0.00051156 0.02906921 -0.01377214 0.00523750 0.00648494 -0.00370296 0.00144687 +H 0.96135157 4.77843644 5.97026600 0.01543595 -0.00420722 -0.01913410 0.08091880 -0.05155930 -0.18089474 0.00401991 -0.02541163 -0.02540428 +C 2.59785846 7.54995869 6.00720514 0.00637663 -0.00347643 0.00446483 0.01908060 -0.04381031 0.01659111 -0.00009506 -0.00577120 -0.00043992 +H 3.02103009 4.09403245 5.94001412 -0.00427607 0.02393174 -0.02019897 0.05559924 0.08498810 -0.11079536 0.00235749 -0.03250511 -0.00982167 +C 3.94425245 7.92857614 6.05395288 0.00335514 0.00040210 -0.00037355 0.02632315 0.00489874 0.00096037 0.00455355 0.00123454 0.00073992 +H 1.76112367 8.21304308 6.00735265 0.00585363 -0.00596930 -0.02170939 0.08764386 0.05025641 -0.14712365 0.02275845 0.00643774 -0.01334384 +C 4.99113131 6.99046662 6.06093223 0.00340844 -0.00503200 -0.00068222 0.02355446 -0.03332168 -0.01632368 0.00102526 -0.00349390 -0.00345363 +H 4.14546936 8.95939570 6.03293291 -0.00001281 0.00273825 0.00218493 0.03271177 0.05179638 0.01559456 0.00464734 -0.01113380 0.00086284 +C 4.68434600 5.60586859 6.10529746 -0.00671630 -0.00311792 0.00027340 -0.05589686 -0.01900160 0.00842498 -0.00616229 -0.00361542 0.00283499 +N 6.29857506 7.49099367 5.91635130 0.00266647 -0.00341302 0.00033270 0.00545218 -0.02782205 0.01985890 0.00102169 0.00023248 0.00542624 +C 3.34865584 5.19015699 5.99009719 -0.01004118 0.00107929 0.00379026 -0.08612513 0.03156753 0.01974444 -0.00866490 0.00748410 0.00195175 +H 5.36813741 4.82866431 6.17855312 -0.00126629 0.00653583 0.02424539 0.06229970 0.01090403 0.10253350 -0.01401793 0.01539962 -0.00248528 +C 7.45249753 6.84279757 5.83902058 0.00396271 0.00649847 0.00116100 0.04454550 0.03595765 0.00489017 0.00559058 0.00009605 -0.00041090 +H 6.33413240 8.44491743 6.09313713 0.00549920 -0.02840271 -0.01150477 0.08123569 0.06764826 -0.08287996 0.00577385 -0.00982336 -0.01640026 +O 7.53687023 5.66188826 5.66133173 0.00049217 0.00106436 -0.00127578 0.00881512 -0.00303391 -0.01026839 0.00252472 -0.00042787 -0.00142070 +C 8.78752026 7.63948323 5.99153369 -0.00145472 0.00110021 -0.00464607 -0.03323243 0.02937124 -0.01576383 -0.00606286 0.00621271 -0.00253208 +H 9.57871700 6.94850677 6.35043701 -0.00933749 -0.00227972 0.02794700 -0.09312500 0.09011061 0.09698804 -0.00523915 0.01776516 0.00210116 +H 8.99560630 8.02075545 5.00245723 0.00109130 0.01900175 -0.01336079 0.07480049 0.07627522 0.02909046 0.01751178 -0.00270692 0.02161948 +H 8.61076551 8.47036869 6.72964731 -0.01196353 0.03334268 0.01912157 0.01369056 -0.02945511 -0.11390687 0.00422107 -0.00364532 -0.01800085 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98589151 5.58289686 5.92510844 0.00749751 -0.00263788 -0.00027617 0.03118273 -0.01637092 0.00757635 0.00121383 -0.00133703 0.00295744 +C 2.24951682 6.01849800 5.96702280 -0.00633075 0.01094595 0.00025301 0.00043891 0.08313027 -0.00594725 0.00540100 0.00977337 -0.00309909 +H 0.83856083 4.83865124 5.31451893 -0.00378249 0.00477704 0.01684567 0.00069502 -0.03684619 0.04500227 0.00706397 -0.01700468 -0.00689998 +C 2.62388956 7.08686666 6.86872551 0.00450179 -0.00159432 0.00191668 0.02114533 -0.00877009 0.02331927 0.00147957 -0.00076131 0.00389721 +H 3.00796225 4.65681289 4.36616902 0.00912450 0.00800677 -0.00818079 0.00664007 0.10580155 -0.02552738 -0.01779116 -0.00225127 -0.01386193 +C 3.96787073 7.54808926 6.95829334 -0.00360015 -0.00236320 -0.00469333 0.02190331 -0.02420672 -0.04666155 0.00821904 -0.00245457 -0.00576720 +H 1.99051449 7.55757491 7.59114754 -0.01165419 0.00728555 0.01749821 -0.06388793 -0.09545607 -0.02812685 -0.00387210 -0.02597110 -0.01702772 +C 4.98462592 7.06079046 6.04286962 0.00522496 -0.00119183 0.00152400 0.01617434 -0.02125022 0.01280667 -0.00116771 -0.00613965 0.00004028 +H 4.36855122 8.17564600 7.71689087 0.00924337 0.00671267 -0.00185206 -0.12464796 0.06703810 -0.04507805 -0.03708413 0.00405406 -0.01790143 +C 4.53419651 6.08042358 5.10145498 -0.00431271 -0.00033173 -0.00422688 -0.02620018 0.00010077 -0.01983450 -0.00019013 -0.00016476 -0.00152197 +N 6.37045250 7.48802846 6.19678402 -0.00191422 -0.00166920 0.00200867 -0.00401874 -0.02530327 -0.00366739 -0.00042222 -0.00443803 -0.00237691 +C 3.23542342 5.49802121 5.08048626 -0.00770842 -0.00310588 -0.00085407 -0.04455248 0.00824224 0.00904734 -0.00275503 0.00834290 0.00398900 +H 5.13877772 5.72183467 4.30876134 0.00451671 0.00992591 0.02151364 0.16754226 -0.01223595 0.08077567 0.01083412 -0.00642620 0.01470974 +C 7.57492965 6.90255816 5.72797466 0.00250468 0.00013381 -0.00256927 -0.04635842 0.01323294 -0.00422354 -0.01267252 0.00159886 0.00038960 +H 6.46104590 8.34797237 6.70689673 -0.01422097 0.00704801 -0.00598052 -0.02120216 -0.01422183 -0.01633494 0.00925097 -0.01300124 0.00069780 +O 7.54825712 5.93068058 4.99185698 0.00455928 -0.00296838 0.00088385 0.03643862 -0.02247254 0.00543194 0.00535777 -0.00266300 0.00115135 +C 8.90600806 7.50296728 6.16114297 -0.00662646 -0.00034760 0.00385531 -0.04048885 0.00435864 0.01809483 -0.00456991 0.00341540 0.00446057 +H 9.09894668 8.36941488 5.52275592 0.00532912 0.02198513 -0.00230616 0.02265333 0.01771612 0.12489501 -0.00570621 -0.00466940 0.02570101 +H 8.77023218 7.70598357 7.17765526 0.01366350 0.00417224 0.00754776 0.11260573 0.10478926 0.08455048 0.01660843 0.00702466 -0.01717123 +H 9.68365346 6.71906933 6.15499305 0.01780034 0.01670282 -0.02551291 0.04915250 0.17812032 -0.21600911 -0.00320092 0.02122876 -0.02889146 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96308541 5.60812553 5.79885349 -0.00248733 -0.00014916 -0.00031737 -0.01447311 0.00083397 0.00061000 0.00029724 0.00107865 -0.00031138 +C 2.28064933 5.93768272 5.80164509 0.00030712 0.00279885 0.00201612 0.02233849 0.02924304 -0.01094731 0.00291639 0.00550106 -0.00315949 +H 0.58546875 5.20833239 6.60772664 0.01058874 -0.01060127 -0.00548416 0.10796707 -0.05073315 -0.00018446 0.01002640 -0.01220778 0.02018130 +C 2.97766839 5.98268684 4.53555014 -0.00134630 0.00162504 0.00080711 -0.01796115 0.02090829 0.01432109 -0.00208532 0.00294970 0.00185610 +H 2.50212304 6.44434559 7.92756993 0.03817658 -0.00662529 0.01940534 0.22656107 -0.08471601 0.04309685 0.00745037 -0.01558106 0.01081558 +C 4.36071109 6.29400929 4.44829561 -0.00450209 -0.01071992 -0.00723684 -0.02759484 -0.05852214 -0.03448900 -0.00394385 -0.00467388 0.00027880 +H 2.36075937 6.01255744 3.61392708 0.02583529 -0.00976294 -0.00464016 0.13799371 -0.21849871 -0.02412563 -0.00191891 -0.04520199 -0.00770522 +C 5.10768959 6.62832747 5.58760545 -0.00680305 -0.00067203 -0.00152013 -0.04294569 0.00316347 -0.02097405 -0.00476361 0.00162961 -0.00484205 +H 4.90790223 6.38907919 3.48156039 -0.00286046 0.01237406 0.00200815 -0.12661327 -0.01783330 -0.03084396 -0.01787839 -0.01911148 -0.02922204 +C 4.39522896 6.74047313 6.83465601 -0.00214805 0.00097018 -0.00069045 -0.00613703 -0.01908509 -0.01211002 -0.00084274 -0.00679413 -0.00638055 +N 6.49317041 6.87109869 5.33976696 -0.00473506 0.00761972 0.00008927 -0.03926860 0.04040100 0.02380612 -0.00531060 0.00288165 0.00508844 +C 3.00852167 6.36545735 6.94194765 0.00199740 0.00296960 0.00027124 0.02355613 0.02080260 0.00754401 0.00531170 0.00213729 -0.00005428 +H 4.97398930 6.95198247 7.79629248 0.01727893 -0.03726773 -0.00952837 0.00171228 -0.16620373 -0.10850049 0.00905530 -0.00050856 0.01939746 +C 7.42402187 7.19737159 6.26274842 0.00419118 -0.00393124 0.00079332 0.02054999 -0.01453864 -0.02060998 0.00049932 0.00126449 -0.00295027 +H 6.82187321 6.73610118 4.38927606 0.00668089 -0.01092634 0.01909878 0.03697717 -0.08937775 0.07315911 -0.00353906 -0.01059953 0.00496733 +O 7.15577955 7.60119693 7.34115276 0.00034312 0.00239081 -0.00064250 0.00027416 0.01864756 0.01946034 0.00029166 0.00218799 0.00443432 +C 8.87978742 7.23071854 5.84607278 0.00676592 -0.00030648 0.00706881 0.05289098 -0.00735191 0.02648299 0.00708493 -0.00025732 0.00089288 +H 9.17007534 6.34587587 5.23634370 0.01827102 0.00939012 -0.02353953 0.05987639 0.16267875 -0.08522582 0.00347982 0.01620462 -0.01416883 +H 9.13867253 8.15287375 5.34670430 0.00242096 0.01274081 0.01057149 -0.02536835 0.03705503 0.06598498 -0.00591344 -0.00303602 0.01424733 +H 9.52493584 7.25545914 6.74170317 0.00176288 -0.01420403 -0.01187997 0.05764665 -0.14056341 0.02238027 0.01391604 -0.02278288 0.01643489 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99081660 5.69818330 5.89182693 -0.00202817 -0.00299541 -0.00533381 -0.00738934 -0.01625633 -0.03676331 0.00063368 -0.00160408 -0.00600589 +C 2.34673728 5.97231258 5.78022082 -0.00094526 0.00769234 -0.00159941 -0.01397566 0.03891165 -0.00822658 -0.00352973 0.00266324 -0.00080565 +H 0.55828045 5.82885358 6.70617314 -0.01793709 -0.01296657 0.01118993 0.01683479 -0.05287597 -0.03900708 0.01306399 -0.00034412 -0.00662411 +C 3.15575991 5.21819915 4.88315350 0.00340252 -0.00335079 0.00878887 0.01588938 -0.00257092 0.05554407 0.00011944 0.00233569 0.00495032 +H 2.38845538 7.67036527 7.16038888 -0.00720863 0.01260456 0.03045047 0.00656628 -0.10455256 0.14694825 -0.00085970 -0.02889419 0.01315214 +C 4.53279819 5.43749202 4.84482357 0.00512094 0.00589827 0.00798047 0.02844376 0.03290421 0.03104796 0.00237145 0.00224899 0.00137272 +H 2.78372836 4.59601212 4.13384468 -0.00289346 0.01888863 -0.01466818 -0.08960530 0.03005674 0.01144933 -0.00533577 0.00164611 0.03829032 +C 5.10820390 6.39071544 5.67582920 0.00852344 -0.00309680 -0.00020049 0.07168191 -0.00232654 0.01923483 0.00835791 0.00231702 0.00576211 +H 5.12240108 5.01372528 4.03663770 0.00413475 0.00145111 0.00778243 0.02287828 -0.06721787 0.10862285 0.00508921 -0.01999874 0.01491291 +C 4.31553420 7.14338910 6.57618387 -0.00137402 -0.00318485 -0.00180129 0.01756932 -0.02801296 -0.00576705 0.00476030 -0.00278398 0.00097236 +N 6.50915393 6.55809603 5.58753682 0.00238108 -0.00380451 -0.00476817 0.00683839 -0.01589131 -0.03171192 0.00075218 -0.00223062 -0.00569120 +C 2.96958329 6.97222956 6.57967417 -0.00175661 0.00343256 0.00041239 -0.05465087 0.02683829 0.00997310 -0.00962746 0.00299173 0.00216571 +H 4.71570941 7.72956544 7.36813668 -0.00506741 0.00757755 0.00162094 0.00242106 0.11915186 -0.10160246 0.00198040 0.01402233 -0.03244716 +C 7.32510286 7.45248750 6.13837745 -0.00977637 0.00389066 0.00001461 -0.02212961 -0.00405962 -0.00756671 0.00533135 -0.00507943 -0.00244717 +H 7.09189713 6.02547509 4.98138088 -0.02530798 -0.00330908 -0.00469865 -0.18617819 -0.16742699 -0.10883411 -0.02789363 -0.01677345 -0.00243943 +O 6.98291429 8.35494652 6.88287093 -0.00078571 -0.00357693 -0.00035352 -0.01032845 -0.01206254 0.00357680 -0.00232658 0.00015581 0.00143376 +C 8.82955876 7.14169405 5.90135968 0.00279754 -0.00074611 -0.00151166 0.00009516 0.02198101 -0.00450939 -0.00528253 0.00682850 0.00102198 +H 9.08867314 6.04174701 5.76259799 -0.02363086 0.00416879 -0.02907310 -0.16860467 0.10060923 -0.19525182 -0.01476970 -0.00104179 -0.03293679 +H 9.25090754 7.75088455 5.06874396 0.00703271 0.02645074 -0.00296363 -0.02724018 0.05921390 0.09785269 -0.00323018 0.00756078 0.01147209 +H 9.29103337 7.52040202 6.83508877 0.01105147 -0.02321733 0.01290377 0.09765549 -0.24358402 -0.02197450 0.01857449 -0.03948313 -0.00654028 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01123876 5.82554465 5.75949503 0.00084248 -0.00557684 -0.00124002 0.00698712 -0.04551135 -0.00811725 0.00220907 -0.00479509 -0.00160379 +C 2.30675430 6.20795630 5.78939619 0.00609703 -0.00272415 0.00008406 0.03804411 -0.03619650 0.00785729 0.00097535 -0.00442799 0.00064857 +H 0.94635167 4.89837266 5.93166800 -0.00740234 -0.02862706 0.01119793 -0.07016803 0.00918756 0.03647744 -0.01408157 -0.00560474 0.00747346 +C 2.72257365 7.50842127 5.45702084 0.00164296 0.00162827 0.00097252 0.02535990 0.00673018 0.00121046 0.00533445 -0.00013486 -0.00033589 +H 2.94965601 4.30272255 6.61274064 0.00262307 -0.01182883 0.00678783 0.01227962 -0.07607912 -0.05152167 0.00808900 0.02079823 -0.03093750 +C 4.09645697 7.84178263 5.50475873 0.00597616 0.00329291 0.00471940 -0.00698339 0.02820236 0.02048925 -0.00614532 0.00624267 0.00053704 +H 1.97535026 8.21150749 5.09446016 0.03799896 0.02099443 -0.01142744 0.17863118 0.13497527 -0.02056557 0.00331126 0.00785238 0.00731737 +C 5.01429763 6.86566749 5.84542562 -0.00277224 0.00772467 -0.00625055 -0.00295409 0.02274367 -0.01943765 0.00308744 -0.00076239 0.00143190 +H 4.37549438 8.82474001 5.23717213 -0.00370051 0.00651728 0.00286376 0.01335063 0.06208899 0.01706760 0.00147622 -0.00683701 0.00721632 +C 4.61773427 5.52999732 6.23657121 -0.00095340 0.00375007 0.00627264 -0.00604907 0.07059429 0.02300418 0.00052798 0.01010189 0.00202537 +N 6.28256760 7.38218408 5.81692285 0.00136178 -0.00367931 0.00241010 0.02599198 -0.03742466 0.01936370 0.00507425 -0.00555297 0.00177913 +C 3.26027512 5.20498593 6.22167558 -0.00173451 0.00089750 -0.00243523 -0.01367742 0.01914739 -0.00931908 0.00018006 0.00074990 0.00143785 +H 5.38922495 4.90824426 6.52457974 -0.02589495 0.00616028 -0.00159125 -0.07115662 -0.14640638 0.08054798 -0.02524208 0.00213447 0.00527347 +C 7.47092452 6.82037566 6.10764115 0.00982635 -0.00355266 -0.00292758 0.02408910 -0.03234064 -0.03528515 -0.00481340 -0.00315979 -0.00681194 +H 6.35511912 8.32302454 5.49927686 -0.00433639 -0.00888460 -0.01820969 -0.00616189 -0.06466850 -0.08614829 0.00635295 -0.01691786 -0.00007333 +O 7.68689449 5.62283833 6.42511812 -0.00939642 0.00352932 -0.00090522 -0.05787491 0.03144115 -0.00401967 -0.00613579 0.00323533 0.00023915 +C 8.54722468 7.79240283 5.75052536 -0.00868833 -0.00322092 0.00186545 -0.02122349 0.00100982 0.01939727 0.00389773 0.00159729 0.00155687 +H 9.57058741 7.46061936 5.86372781 0.00148421 0.01022201 -0.04131419 -0.02560439 -0.04096990 -0.17302326 -0.01139440 -0.01910701 -0.00336624 +H 8.47100733 8.12141983 4.71207307 0.00264107 -0.01258941 0.00685417 -0.06779878 -0.04394284 0.00307568 -0.02327432 0.00447503 -0.00108819 +H 8.42034487 8.67390619 6.39678095 0.00149545 0.00877020 0.01798305 0.04695643 -0.04276532 0.02332027 0.01030172 -0.00649374 -0.00071461 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.91820006 5.84197211 5.88456171 0.00428190 0.00274141 -0.00276187 0.02521888 0.00701739 -0.02283509 0.00188832 -0.00226686 -0.00431850 +C 2.24895811 6.10796510 5.91044953 -0.00046798 0.00160251 0.00525209 -0.00167840 -0.01123181 0.02600843 0.00050004 -0.00289508 0.00213548 +H 0.74791539 5.07156762 5.42899409 0.01259404 -0.01041029 0.01088642 0.04834640 -0.07623913 0.08555570 0.00485841 0.00977204 0.02393416 +C 2.60189797 7.36064151 6.23089989 -0.00208405 0.00023680 -0.00019356 -0.00950300 0.04384760 0.00967122 -0.00198291 0.00827633 0.00208566 +H 3.03822250 4.26018450 5.15387940 0.02015428 -0.02846479 -0.01795381 0.07846816 -0.07123664 0.03272679 -0.00528848 0.01191273 0.02685700 +C 3.93232957 7.81254097 6.22981983 -0.00351458 -0.00817242 -0.00465885 -0.01377133 -0.05383415 -0.00372540 -0.00049613 -0.00450219 0.00382139 +H 1.86511596 8.09796967 6.51975059 -0.00142064 -0.00187046 -0.00342423 -0.06643899 -0.00799697 -0.01385175 -0.01329815 0.00499049 0.00090268 +C 4.99062080 6.89369771 5.97426020 -0.00207960 0.00301378 -0.00316069 0.00473770 0.03072684 -0.03492010 0.00382316 0.00378688 -0.00642421 +H 4.13671446 8.78181185 6.66026680 -0.01786200 -0.01297962 0.02252007 -0.07641015 -0.05921149 0.00005935 0.00126428 0.00046882 -0.02002657 +C 4.61135825 5.58466163 5.59561493 -0.00274592 0.00188781 -0.00280617 -0.00079707 0.01081862 -0.02071195 -0.00070160 0.00205707 -0.00258258 +N 6.32535274 7.41650652 5.96593035 0.00204909 0.00663510 0.00861885 -0.00242028 0.05050758 0.07405504 -0.00291479 0.00565258 0.01135445 +C 3.27466125 5.20187202 5.56725323 -0.00455953 -0.00091778 0.00071544 -0.03585227 -0.02505277 -0.01356055 -0.00267321 -0.00559691 -0.00413574 +H 5.38948382 4.86577747 5.26872237 -0.01736995 -0.01544298 -0.00138261 -0.10864365 -0.04596867 0.02132942 0.00827706 -0.00846973 0.00112889 +C 7.55071021 6.88308935 5.93605832 0.00022597 0.00360194 0.00625644 0.00480369 0.00155660 0.02535794 0.00090759 -0.00299980 0.00120648 +H 6.43881529 8.42394057 6.14788503 -0.00723297 0.00548664 -0.00783433 -0.11946434 0.05186381 -0.04875596 -0.01767502 0.02220053 -0.00082948 +O 7.73327542 5.72472433 5.65778456 0.00321660 -0.00122933 -0.00041499 0.01721428 -0.01831692 0.00281084 0.00128139 -0.00317337 0.00144774 +C 8.80199175 7.74761287 6.03571827 0.00373223 -0.00617147 -0.00658735 0.00858196 -0.00030915 -0.02811533 0.00090805 0.00118863 -0.00616912 +H 9.40296745 7.50346407 5.21342050 -0.02130094 -0.01723820 0.00485577 0.01856285 -0.13808377 -0.10489904 -0.00287414 -0.00331316 -0.00006049 +H 8.50118753 8.80399349 5.86528527 -0.02404811 0.02214897 -0.01382650 -0.01399479 -0.09575374 -0.02710810 0.01369281 -0.01107822 -0.00006874 +H 9.37260475 7.69861742 6.98579933 0.04594778 0.00118200 -0.00142906 0.11778155 -0.03842604 -0.17971249 -0.00215961 -0.01052020 -0.02414917 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98054624 5.61877653 5.89506616 0.00653891 0.00214263 0.00384460 0.04484830 0.01224429 0.02662313 0.00416077 0.00087210 0.00253327 +C 2.32811999 5.92218275 5.96604425 -0.00184107 0.00384127 0.00023197 -0.00791438 0.04726205 -0.01031103 0.00121700 0.00920465 -0.00357013 +H 0.68467446 5.53299205 5.03546919 -0.01932717 -0.00511074 0.01126685 -0.10048863 -0.00806259 0.06948109 0.00382182 0.00639618 0.02781794 +C 3.00664982 5.84448468 7.17137729 0.00006130 -0.00077500 0.00101630 -0.00949742 -0.03269084 0.01093999 0.00174178 -0.00585007 -0.00242595 +H 2.50205467 6.57568341 3.90971526 -0.00396461 -0.01397706 -0.02886650 0.06607761 -0.05178908 -0.04982488 0.00361871 0.00008990 -0.01779505 +C 4.35295497 6.01484841 7.17043582 0.00353706 0.00239001 -0.00251676 0.03812165 0.02188823 0.03230453 0.00329211 0.00376747 0.00750841 +H 2.53381311 5.43768566 8.13501576 0.02226736 -0.02876551 0.00128273 0.08169585 -0.10343566 -0.11280390 -0.02444047 -0.02089527 0.01364535 +C 5.09054847 6.54474496 6.11375540 -0.00120917 0.00045310 -0.00165328 -0.01845677 -0.00531687 -0.00487738 -0.00264161 -0.00117516 0.00097391 +H 4.77520782 5.82337481 8.18429904 0.01347133 -0.00168476 0.01255983 0.13370373 0.00400679 -0.11121724 0.03642914 -0.00547403 -0.00334643 +C 4.41402428 6.79292785 4.91548560 -0.00368432 0.00274881 0.00643240 -0.02422687 0.02625051 0.02439384 -0.00521135 0.00319558 -0.00006125 +N 6.42707237 6.65856905 6.32965074 -0.00516290 -0.00241463 -0.00329565 -0.00292208 -0.01392646 -0.00465089 0.00176772 -0.00183432 0.00110349 +C 3.03954414 6.47853153 4.87572102 0.00147113 -0.00450747 -0.01012426 -0.01401234 -0.04151114 -0.08657575 -0.00313767 -0.00691264 -0.00900056 +H 4.95917197 7.23103829 4.07163111 0.00339822 -0.00374004 -0.00844539 -0.06085004 -0.08753019 0.00634292 -0.00589528 -0.00903050 -0.00355273 +C 7.39553667 7.33862072 5.69134492 0.00006322 -0.00490895 0.00996165 -0.01114133 -0.01594430 0.03437308 -0.00325942 0.00319162 -0.00275362 +H 6.82428604 6.30110950 7.19713689 -0.01037433 -0.00687128 0.00881917 -0.16166483 -0.09891761 -0.02118416 -0.01859004 -0.02541588 0.00106122 +O 7.19000522 8.09199520 4.77978315 0.00472717 0.00195376 -0.00211753 0.02889998 0.01255767 -0.01551740 0.00345956 0.00041135 -0.00083928 +C 8.83416235 7.12992585 6.12915353 -0.00933390 0.00561074 -0.00247953 -0.04776830 0.02381794 0.02361777 -0.00243182 0.00031553 0.00594563 +H 9.31224565 6.30098566 5.62580749 -0.01244951 -0.00339352 -0.01405906 -0.14708278 0.01614089 -0.04636139 -0.02941023 0.00887692 0.00247725 +H 9.43013344 8.03256157 5.98453160 0.02736639 -0.01119281 -0.00626253 0.07749400 -0.09493680 -0.04624351 -0.00974701 -0.01018078 -0.00649969 +H 8.75143949 6.95307819 7.22744811 0.00284602 -0.01455009 0.03173968 0.11192912 -0.05867657 -0.08420105 0.02299101 -0.00760784 -0.01571177 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03596906 5.75985079 5.67348382 -0.00004780 -0.00041544 -0.00226400 -0.00624369 0.00091526 -0.01362652 -0.00187435 -0.00180312 -0.00231027 +C 2.32919343 6.12006003 5.83107033 -0.00235403 -0.00347535 -0.00195420 0.00559648 -0.00293553 -0.00379190 0.00262355 0.00356603 0.00114689 +H 0.94862062 4.90471489 5.36331203 -0.00439575 0.00564057 0.01889108 -0.05053074 -0.06727591 0.08580640 -0.00371647 0.01800476 0.01789868 +C 2.62524757 7.43681269 6.31079214 0.00079504 0.00757633 0.00479843 0.01598312 0.01101601 0.02420351 0.00277861 -0.00600232 0.00135510 +H 3.15592093 4.19379543 5.33521417 -0.01722842 -0.01096139 0.00852867 -0.06304986 -0.09733740 -0.01442098 0.00611674 0.01900792 -0.00415757 +C 3.97209199 7.86474827 6.51462427 0.00178470 -0.00128229 -0.00031459 -0.00824694 -0.01027830 -0.00537252 -0.00423867 -0.00039528 -0.00178434 +H 1.77690333 8.09635889 6.59136043 0.02257512 -0.01318626 -0.00294497 0.04019699 0.04747702 0.00514340 -0.01254111 0.02589052 0.00417771 +C 4.99621553 6.96411905 6.14095554 -0.00124088 0.01275833 -0.00090460 -0.01357258 0.02741554 -0.01988145 0.00048388 -0.00617521 -0.00458006 +H 4.20919622 8.82340279 6.99572040 -0.01760366 0.00127743 -0.01857837 -0.09576465 0.05986676 -0.18099442 -0.00321217 0.01869286 -0.02474277 +C 4.61877903 5.61197207 5.78620051 -0.00663037 -0.00892140 0.00374276 0.02043461 -0.00943164 0.02459055 0.01025590 0.00470950 0.00288773 +N 6.30067576 7.41516900 6.10595274 0.00772554 -0.00092458 0.00330703 0.05174804 -0.00221780 0.03224286 0.00459679 0.00067872 0.00597702 +C 3.36746729 5.17074599 5.59067054 0.00360234 -0.00613743 -0.00592705 -0.04274437 -0.02162115 -0.02499199 -0.01278614 -0.00240116 -0.00133965 +H 5.38336704 4.91944589 5.50846987 -0.01109335 0.00081967 0.01975422 0.02342377 -0.09776482 0.14629428 0.00731382 -0.01331660 0.02285749 +C 7.46615612 6.83232845 5.78273487 -0.00039726 -0.01182202 -0.00654870 0.00339393 -0.02318890 -0.01858743 0.00257272 0.00793598 0.00260156 +H 6.45094049 8.34932164 6.39458096 0.02145992 0.00000410 0.01243100 0.08940600 -0.01368059 0.09390264 0.00266486 -0.01313179 0.01076412 +O 7.58881348 5.71754886 5.29663684 -0.00341328 0.00710665 0.00116266 -0.01834305 0.02238652 -0.00262517 -0.00167207 -0.00237405 -0.00276161 +C 8.68594883 7.73697046 6.03501372 -0.00046977 0.00447750 0.00541009 0.00546643 0.00977646 -0.00023139 0.00068164 0.00017237 -0.00535893 +H 9.19170039 7.68429237 6.99368988 0.01068188 -0.00379555 -0.01783635 0.02575167 -0.06884383 0.02199975 -0.01013648 -0.00865808 0.01060210 +H 9.44025410 7.47912095 5.29877390 0.00879095 0.01966773 -0.01041928 0.00438324 0.07600695 -0.00135917 -0.00316584 0.00018756 0.00524268 +H 8.54401308 8.75450637 5.80759979 -0.00709707 -0.01148123 -0.01806828 -0.13954283 0.05187135 -0.05974509 -0.01916905 -0.00660807 0.01523534 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96349578 5.74574000 5.73360120 -0.00119297 -0.00302832 -0.00702708 -0.00279614 -0.00710142 -0.04603207 -0.00054192 -0.00163903 -0.00705544 +C 2.28138301 6.15647084 5.82068938 -0.00524006 -0.00093536 0.00377686 -0.02324568 -0.02214200 0.01991652 -0.00038715 -0.00233729 0.00227090 +H 0.85612923 4.92359426 5.33798003 -0.00120481 0.00419029 0.00967535 -0.00944572 -0.08140513 0.02687204 0.00412233 0.01251436 0.01447216 +C 2.62681913 7.46218878 6.12651057 0.00193005 0.00318877 -0.00118803 0.01422269 0.03205615 0.00554980 -0.00114488 0.00343341 0.00254215 +H 3.10787372 4.17408891 5.41404057 0.00041881 -0.00361401 0.00357604 -0.01389490 0.00045988 0.05929394 -0.00775196 -0.00466007 0.00947864 +C 4.00086866 7.86011405 6.28947653 -0.00261288 -0.00238258 -0.00018342 -0.02503425 -0.00809459 0.00697826 -0.00354459 0.00181851 0.00213351 +H 1.86453398 8.17241387 6.32546552 0.00386380 0.00652538 0.01508754 0.01174725 0.05533245 0.04231987 0.00838234 0.00136392 -0.00774967 +C 5.04089174 6.91147307 6.15601502 -0.00170608 0.00855620 0.00004804 -0.01052419 0.04081279 -0.00421134 -0.00017204 -0.00048077 -0.00119392 +H 4.27670000 8.84582017 6.61926146 -0.00623430 0.00869221 0.00467751 -0.11207811 0.01807554 -0.04986714 -0.01948200 -0.00153444 -0.01523592 +C 4.67697833 5.58241372 5.87970878 -0.00478965 -0.00456054 0.00141073 -0.04073762 -0.02910928 0.01130569 -0.00474898 0.00024365 0.00201736 +N 6.33789910 7.39384233 6.25155763 0.00650170 0.00517932 0.01106678 0.05418642 0.00190502 0.04940282 0.00885924 -0.00478705 0.00186809 +C 3.33019045 5.21164669 5.66556838 -0.00382844 -0.00161571 0.00369385 -0.03698683 -0.00826772 0.02746197 -0.00625884 -0.00131026 0.00432363 +H 5.29033700 4.67744327 5.87580336 -0.01849991 -0.00752562 -0.00321202 0.07983212 0.07258212 -0.07050641 0.03324794 0.02060146 -0.01398372 +C 7.46206603 6.86293650 5.72856327 0.01103941 -0.00446139 -0.01042381 0.06413572 -0.02897848 -0.02447520 0.00365135 -0.00141672 0.00519095 +H 6.48406580 8.27227401 6.74850660 0.02027105 -0.00653459 -0.00917224 0.08970496 0.06363768 -0.04538052 0.00218024 0.01301737 -0.00609505 +O 7.64649404 5.65634070 5.34580117 0.00204805 -0.00371148 -0.00248319 0.00928301 0.00238853 -0.01839292 0.00127598 0.00311817 -0.00322560 +C 8.65638762 7.81941049 5.99492023 -0.00050966 0.00258926 0.00196537 -0.01839725 0.01190009 -0.02178740 -0.00168965 -0.00174892 -0.00124143 +H 8.89015248 7.79720842 6.98711118 -0.00806950 0.01182599 -0.01738002 0.04363439 0.02351637 0.11750814 -0.00010722 -0.00138556 -0.01574021 +H 9.46956973 7.40532544 5.36837032 0.00547983 -0.00079974 0.00338817 0.05189516 0.14203212 0.06084526 0.01635535 0.03358996 0.00262576 +H 8.38817300 8.89494446 5.78581614 -0.03181808 0.01773158 0.00125375 -0.08497091 -0.10501997 -0.05213580 -0.00137316 -0.00903508 -0.02171501 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95940475 5.76458895 5.74725825 0.00313077 0.00002357 -0.00297649 0.02984979 -0.00068429 -0.01910337 0.00318223 -0.00148103 -0.00322679 +C 2.30965148 6.08468303 5.91306204 -0.00393540 0.00246099 0.00443212 -0.04902061 0.00862536 0.02083338 -0.00390889 0.00089241 0.00148345 +H 0.85339712 4.99833329 5.26517058 0.00618734 -0.00231559 -0.01521350 0.02699708 0.01407828 -0.06607186 0.00487844 0.01909776 0.00470089 +C 2.65837034 7.34318112 6.36802428 -0.00959412 0.00661505 -0.00179368 -0.04875494 0.06623118 -0.00092417 -0.00314419 0.00860300 -0.00031584 +H 3.01255921 4.28572846 5.10937813 0.00473725 0.00068526 -0.00292161 0.05740146 -0.11628352 0.02881494 0.02206051 0.01320626 0.02920293 +C 3.97085113 7.85197944 6.40286430 0.00501910 0.00034074 0.00127201 0.01738334 -0.02490514 0.01164070 -0.00254162 -0.00606713 0.00320608 +H 1.89303045 8.03177123 6.80784571 -0.00358554 -0.01520550 -0.02038906 -0.15119312 -0.01118496 -0.16133878 -0.04042014 0.02678526 -0.01513735 +C 5.00050026 6.95029328 5.99616020 -0.00058747 0.00091916 0.00739556 0.00881769 0.01793353 0.06015320 0.00310716 -0.00158724 0.00719202 +H 4.17738361 8.85539988 6.81223104 0.01405286 -0.01837265 0.01659831 0.08472780 -0.08891249 0.06239848 0.00894565 0.00461781 0.00222801 +C 4.63515093 5.66523603 5.63774091 0.00345821 -0.00535659 -0.00015524 0.00321568 -0.06504837 -0.00841781 0.00144733 -0.00683361 -0.00030957 +N 6.32001513 7.42798147 6.13141799 0.00255345 0.00456184 -0.00108404 0.01479741 0.02420297 -0.00551030 0.00162949 0.00202100 -0.00049653 +C 3.26515585 5.17743614 5.54694948 0.00261084 -0.00445559 0.00208471 0.04958966 0.00429226 0.01190124 0.00562020 0.00121687 0.00012585 +H 5.33610211 4.87225004 5.38013549 0.00062616 0.00710857 0.00593742 0.11867072 0.04832199 -0.01071018 0.02184600 -0.00052723 -0.00969130 +C 7.51278895 6.88995887 5.85411224 0.00338937 -0.00277234 -0.01090529 0.00840957 -0.02600719 -0.07999216 -0.00271163 0.00110145 -0.00841097 +H 6.41881650 8.32228901 6.58576821 -0.01380955 -0.00963842 0.00767822 -0.06551746 0.02864535 0.03034355 0.00303634 0.00897331 -0.00499978 +O 7.59424682 5.69855765 5.40507281 -0.00044959 0.00397445 0.00139453 0.00657719 0.03969507 0.01200042 0.00248066 0.00413358 0.00065711 +C 8.77885310 7.77803944 6.01783790 -0.00379864 -0.00092326 0.00449745 -0.02377228 -0.03675420 0.00583265 -0.00616346 -0.00705214 -0.00109202 +H 9.10126558 7.73292239 7.05096439 -0.01213696 -0.01888718 -0.00127169 -0.06921562 -0.03520924 0.04704514 -0.00744694 0.00508887 0.00157077 +H 9.66087094 7.35925992 5.44984687 -0.01274825 -0.03727254 -0.02494669 -0.24842951 -0.13884228 -0.04162677 -0.01867839 -0.01037955 -0.00588093 +H 8.67102032 8.75884032 5.62367858 -0.02039444 0.00484554 -0.00665506 -0.13053225 0.00678661 0.04990104 -0.00790501 -0.02115047 0.02330294 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96543640 5.80950695 5.72122499 0.00511520 0.00114144 -0.00108193 0.02836033 -0.00371524 -0.00573798 0.00242462 0.00009633 -0.00051989 +C 2.30893545 6.08124885 5.83263314 -0.00314123 0.00732451 0.00063636 -0.01898780 0.03596435 0.01873448 -0.00026566 -0.00040936 0.00318267 +H 0.72838466 4.89637253 5.73875938 -0.00842055 -0.02069068 0.00174441 0.04083592 0.02825390 -0.01338788 0.01228172 -0.00674463 -0.00493815 +C 2.68037178 7.33636948 6.39119833 -0.00502235 0.00069198 -0.00396413 -0.05374820 0.03584411 -0.03117406 -0.00507516 0.00721881 -0.00531652 +H 3.00644243 4.07293668 5.26185214 -0.00067198 -0.01576289 0.00982134 0.07041608 0.02866845 0.09002560 0.00593723 -0.02322124 -0.00105286 +C 3.99116224 7.82267022 6.47209947 -0.00067921 0.00091346 -0.00146927 0.00167012 -0.00987620 -0.01915712 -0.00170427 -0.00481580 -0.00367461 +H 1.85379569 8.06245127 6.65343105 -0.02254339 -0.00863374 0.00614353 -0.03596323 -0.12810372 0.02917258 -0.02135058 0.00781199 0.01351647 +C 5.02682331 6.98936493 6.02570608 -0.00097793 -0.00087651 0.00140447 -0.02309897 -0.04304932 0.01033968 -0.00237683 -0.00763286 0.00234615 +H 4.29402128 8.83767366 6.78812268 0.02004538 -0.01805994 0.00742785 -0.01556559 -0.07415597 0.09723259 -0.01806782 0.00822475 0.01979631 +C 4.63344215 5.61706944 5.62198785 -0.00125500 0.00196058 0.00208120 0.00996708 0.01430184 0.01955725 0.00279105 -0.00146333 0.00199068 +N 6.32860630 7.45135953 6.14424337 0.00335659 -0.00058640 0.00384246 0.02469015 0.00045699 0.02868175 0.00106291 0.00143344 0.00544452 +C 3.28937616 5.13531091 5.59141091 -0.00300117 -0.00885364 -0.00049497 -0.00351110 -0.03093578 -0.00979443 0.00316580 0.00713491 0.00020134 +H 5.38915757 4.93161798 5.40951966 0.03056712 0.00496309 -0.00667303 0.03965800 0.04341375 -0.04437992 -0.02893528 0.01180488 -0.00059369 +C 7.50900762 6.92754263 5.80806651 -0.00065757 0.00177646 0.00468560 -0.02009297 -0.05471145 0.00958742 -0.00166411 -0.01218194 -0.00081973 +H 6.51446057 8.29889284 6.59428822 0.01082398 -0.01499206 0.00778366 -0.04113512 0.04604773 0.08332727 -0.02131047 -0.00353865 -0.00259106 +O 7.56730433 5.74822872 5.36563364 -0.00479172 0.00014694 -0.00201107 -0.02134859 0.02116435 -0.01014000 -0.00131909 0.00364865 -0.00162356 +C 8.72748492 7.71199982 6.02341644 0.00825802 -0.00221872 -0.00509670 0.05767407 0.01303063 -0.03742513 0.00664027 0.00628837 -0.00294471 +H 8.78609735 7.96408110 7.03150890 -0.00543383 -0.00183125 -0.00117398 0.00873776 0.05669930 0.03551133 0.00872682 0.00531704 -0.02339626 +H 9.64918697 7.20244438 5.75061100 0.01205425 0.03509762 0.00337225 0.13570205 0.08540591 -0.01196230 0.01413480 -0.00566927 -0.00661064 +H 8.69590652 8.54475622 5.36357819 -0.01102710 0.01905248 -0.00632592 -0.05976347 0.10032472 0.05658444 -0.00173968 -0.00350384 0.02422663 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.06607966 5.55780191 5.81544104 0.00037063 0.00088825 -0.00054907 -0.01717890 0.00731045 -0.00999044 -0.00385980 0.00019555 -0.00062894 +C 2.34301202 5.97454812 5.86682881 -0.00326613 -0.00314239 0.00412194 -0.00419383 -0.03081890 0.03967161 0.00331514 -0.00450747 0.00713801 +H 0.47425572 5.95087774 5.14350042 0.00155238 -0.00724660 -0.01089709 0.09046465 -0.03566823 -0.07419226 0.00459335 0.00912140 -0.03284485 +C 3.07837010 5.35601076 6.89342250 0.00122344 -0.00848205 0.00249858 0.04937478 -0.03001403 0.02641837 0.00867883 0.00059768 0.00319542 +H 2.30437989 7.51135345 4.37771694 -0.01558156 -0.02575301 0.00735639 -0.08548954 -0.13727922 -0.10487268 0.01341709 -0.02235294 -0.01033914 +C 4.48060135 5.72734410 7.12924394 0.00406124 0.00263724 -0.00041259 -0.02602182 0.01492113 -0.02265616 -0.00577379 0.00215770 -0.00525229 +H 2.59149154 4.67851034 7.61168810 -0.00994959 0.01871485 0.00403180 -0.02891202 0.02172817 -0.00396471 0.00692329 -0.02030745 0.00150810 +C 5.01309038 6.70274196 6.30023995 0.00204576 0.00883709 -0.00049229 0.04210078 0.05306029 -0.01400101 0.00626855 0.00530059 -0.00403740 +H 5.06854551 5.32161884 7.94511479 0.00931966 -0.00203337 -0.03782587 0.07440034 -0.09754507 -0.13007767 -0.00198900 -0.01540493 -0.00562467 +C 4.27083279 7.27811349 5.25682384 -0.00204941 -0.00134129 -0.00813380 -0.00606653 0.00666284 -0.05626426 0.00098017 0.00162358 -0.00513675 +N 6.38587489 6.99836671 6.50811180 0.00315062 0.00543284 -0.00370772 0.02699404 0.04447436 -0.01634655 0.00290215 0.00645445 0.00055428 +C 2.91271647 6.93296891 5.01234141 -0.00323010 0.00396647 0.00337516 -0.01988165 0.01736916 0.04814683 -0.00485903 0.00076049 0.00767896 +H 4.76041100 8.08458034 4.69223566 0.01882898 -0.00286405 -0.00989650 0.00562303 -0.09799405 -0.10321634 -0.01016304 -0.00832316 -0.03246541 +C 7.43208105 7.20037390 5.63456794 -0.00527069 -0.00823241 -0.00095911 -0.03928515 -0.04325090 -0.00740527 -0.00154774 -0.00269230 -0.00225327 +H 6.68562301 7.15310543 7.43181184 0.01797872 0.00848669 0.00750496 0.03101150 -0.03715042 0.00039442 -0.00884551 -0.01766556 -0.01340012 +O 7.24249561 7.23802179 4.42616098 -0.00157595 0.00335679 -0.00203473 -0.00673141 0.01948977 -0.01566873 -0.00061480 0.00194331 -0.00215733 +C 8.82794789 7.45388029 6.22479254 0.00151740 -0.00210204 0.00622350 -0.00054746 -0.03119913 0.04081761 -0.00480473 -0.00625791 0.00554712 +H 9.15791699 6.52511463 6.75951363 -0.00183616 -0.00084607 0.03192869 -0.00958915 0.09330650 0.10655776 0.00519034 -0.00174133 0.00946359 +H 9.57502259 7.79235623 5.47288542 0.02612049 -0.00178079 0.01618489 0.06254206 -0.09301711 0.15266870 0.00350856 -0.01399034 0.01348232 +H 8.76423807 8.30178233 6.93843002 -0.01188020 -0.03589897 0.01001268 -0.08178409 -0.14417640 0.13899552 -0.00884083 0.00298347 0.02476415 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99245439 5.66385353 5.77563165 0.00454824 -0.00334955 0.00166362 0.04004466 -0.03394460 0.02167565 0.00448674 -0.00489394 0.00248459 +C 2.34030791 5.93389789 5.93872046 -0.00180003 -0.00426742 -0.00396313 -0.00304964 -0.03065284 -0.00358794 0.00240254 -0.00407704 0.00309752 +H 0.55829526 6.20994836 5.15220760 0.01662846 -0.01427861 0.01832630 0.03728931 0.00039257 -0.00491221 0.01219776 -0.01122782 0.00867349 +C 3.07994116 5.44029258 7.04630904 -0.00341603 -0.00821500 0.01038072 -0.01960021 -0.03422560 0.02362677 -0.00244346 -0.00101087 -0.00360725 +H 2.43583999 6.95975993 4.10330873 -0.00714357 0.01129164 -0.02194735 0.03510863 0.14842768 0.00891906 0.00655666 0.02712774 0.01764090 +C 4.44906082 5.79999814 7.12256781 -0.00049166 0.00654642 0.00018782 -0.02674565 0.03157014 0.01270160 -0.00622797 0.00204148 0.00312787 +H 2.63774494 4.69808472 7.70007347 -0.00818609 0.00357576 -0.00208381 -0.06449059 0.02366152 0.09596741 -0.00256697 0.00883129 0.01937124 +C 5.10051503 6.66039526 6.25575071 -0.00033259 0.00375506 -0.00925702 -0.02245902 0.01327095 -0.07340244 -0.00541130 -0.00134054 -0.00806466 +H 5.03841132 5.33570984 7.90292307 -0.02337561 0.01214254 -0.02449992 -0.02637922 0.00621578 0.04902093 0.00809107 0.00076956 0.02481603 +C 4.35152427 7.11055449 5.12877384 -0.00652284 0.00701984 -0.00449443 -0.03700568 0.05102725 -0.01453420 -0.00175955 0.00899704 -0.00253396 +N 6.45056132 6.81503074 6.45715070 0.00131829 0.00097789 -0.00062872 -0.00137303 0.00135753 0.00896542 -0.00412395 -0.00117698 0.00322664 +C 2.99254967 6.74451138 4.99450292 -0.00403435 0.00423754 0.00224435 -0.03810112 0.02679789 -0.00860687 -0.00571371 0.00355093 -0.00363793 +H 4.73894170 7.74243174 4.41191761 0.03291817 0.00035512 0.01254506 0.15204651 0.02371477 -0.02069696 -0.02211710 -0.01186335 0.00457787 +C 7.38692396 7.32513693 5.64710141 -0.00136694 -0.00405287 0.00640673 0.00571304 -0.04139510 0.05075267 0.00468081 -0.00489824 0.00203791 +H 6.78032245 6.36417765 7.28599239 -0.03073626 -0.01850581 0.01158055 -0.11556480 -0.00799229 0.03389228 0.00335008 0.01570566 0.00035289 +O 7.12533621 7.60844833 4.52996537 0.00111341 0.00078354 -0.00332336 0.01929894 0.01527195 -0.03408945 0.00500023 0.00249718 -0.00309221 +C 8.80760780 7.35468546 6.22208413 0.00779640 0.00035929 0.00161179 0.05232947 -0.00659059 0.00698402 0.00377986 -0.00064925 -0.00065149 +H 8.93633367 6.98058271 7.28745631 -0.00636251 -0.02318906 0.00242372 -0.10135931 -0.00374666 -0.07620432 -0.01166272 0.00920012 0.01208963 +H 9.49826275 6.65546016 5.65451665 0.01583767 -0.00870307 0.01070890 0.01025643 0.06071017 0.04441879 0.00862374 -0.00276507 -0.01455384 +H 9.09978771 8.41486487 6.11840294 0.02339773 0.00031037 -0.00911284 0.20979382 -0.09067321 0.01432893 0.03166700 -0.01252338 0.01376003 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02449993 5.61063049 5.85033271 0.00470559 -0.00641681 -0.00333145 0.02461265 -0.02922311 -0.02304411 0.00312711 -0.00341524 -0.00429608 +C 2.26848439 6.14157888 5.89483876 0.00274130 -0.00130805 0.00330259 0.04434143 -0.01295434 0.02739733 0.00659355 -0.00244802 0.00364875 +H 0.93649448 4.83276086 5.38505451 0.01489014 0.00429359 -0.01747251 0.11207550 -0.01107923 -0.11695554 0.01563588 0.02125266 0.00367295 +C 2.60794495 7.48961289 6.23262790 -0.00120116 0.00084052 -0.00276340 0.01195674 -0.00102019 -0.02829175 0.00094467 0.00167710 -0.00300013 +H 3.17370300 4.22971281 5.30906533 -0.01117567 -0.00225125 -0.01044293 -0.08847267 0.00873608 0.04557575 -0.01307691 -0.01356666 0.01499724 +C 3.99518666 7.92188686 6.26078146 0.00723984 0.00215793 0.00262637 -0.01030573 0.00437630 0.02129709 -0.00757613 0.00275319 0.00384846 +H 1.82742777 8.16042125 6.27343143 -0.00404359 -0.01259788 0.01893998 -0.05909419 0.01541764 0.19708628 0.02432787 -0.01402075 0.02197806 +C 4.99728096 6.95908682 6.04601546 -0.00118493 0.01415798 0.00032100 0.01220022 0.07759969 -0.00809766 0.00374047 0.00383453 -0.00314283 +H 4.15376611 8.95519651 6.44286094 0.02092601 -0.01559579 0.01290728 0.18065722 -0.00432055 0.10451840 0.01045551 -0.00870067 0.01116937 +C 4.65641258 5.62500850 5.74267441 -0.00252959 0.00659257 0.00462373 -0.00303370 0.05882663 0.03996431 0.00018013 0.00788176 0.00534457 +N 6.31828403 7.43268106 6.11376038 -0.00023085 -0.00763027 -0.00452905 0.00681333 -0.02652776 -0.01865798 -0.00134523 0.00344205 0.00041109 +C 3.34494040 5.25235717 5.67298600 -0.00220391 -0.00133565 -0.00063887 -0.03079367 -0.02028033 -0.01889547 -0.00295746 -0.00170975 -0.00328698 +H 5.42845277 4.89236945 5.62669626 -0.01526480 -0.00118616 0.00273649 -0.06565476 -0.01788140 -0.03104702 -0.00393587 0.00908922 -0.00632370 +C 7.50748038 6.85611132 5.78334132 -0.00587756 0.01056069 0.00495173 -0.06407392 0.02878220 0.01543272 -0.00669451 -0.00612699 -0.00243281 +H 6.57272898 8.33140427 6.46340752 -0.00601860 0.00578704 -0.01411111 -0.19416612 0.01931412 -0.06302888 -0.03353493 -0.00263888 -0.00441023 +O 7.54465975 5.80503508 5.16301245 -0.00101595 -0.00327394 0.00158805 0.00229134 -0.01032142 0.01861214 0.00083650 0.00148453 0.00438548 +C 8.72291166 7.58569568 6.26825618 -0.00116713 -0.00542718 -0.00352570 0.01044765 -0.02272844 -0.02641309 0.00199069 -0.00392034 -0.00150385 +H 9.00541263 7.29225367 7.24371295 0.00331552 -0.01070597 0.00845346 0.05448270 -0.14240218 -0.03685019 0.00550625 -0.01889410 -0.03500612 +H 9.50401848 7.43086037 5.48837514 -0.01669761 -0.01629654 -0.02156713 -0.07671067 -0.13340570 -0.02016069 0.00889212 -0.01900411 0.00025870 +H 8.67112419 8.70076177 6.34268717 0.00855891 -0.00425911 0.00514322 -0.03615350 -0.07982450 -0.01636050 -0.01346334 0.00616362 -0.00721421 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02956262 5.69156721 5.78860330 0.00329970 0.00247126 0.00206310 0.02071543 0.01703985 0.01309161 0.00377699 0.00243235 0.00171082 +C 2.29961396 6.11144231 5.81846711 0.00418693 0.00128369 0.00868728 0.03700307 0.03844334 0.05665876 0.00431135 0.00786236 0.00702824 +H 1.00114229 4.78470108 5.43932985 0.04073084 0.01671787 0.00923066 0.18741531 0.01011086 0.06144993 0.00633785 -0.01312047 0.00821072 +C 2.59988114 7.50400964 5.69621538 0.00027138 0.00296219 -0.00117348 0.00245280 0.00501160 0.00608336 -0.00050934 -0.00075139 0.00190516 +H 3.11625009 4.18060412 6.13937016 0.00318940 0.00599079 -0.00785173 0.04456749 -0.05260956 -0.06198867 0.01060488 0.00125204 -0.01133251 +C 3.94459463 7.95089068 5.79782229 0.00364395 0.00001396 -0.00474341 -0.01657020 -0.00808121 -0.04520113 -0.00705444 0.00111566 -0.00737900 +H 1.79961409 8.22089578 5.66555129 -0.01210851 -0.01003432 -0.01943781 -0.04226729 -0.05463582 -0.15650509 0.00734846 -0.00626931 -0.01723907 +C 4.96048565 6.97671570 5.86407058 -0.01035578 -0.00456508 -0.00502160 -0.00803441 0.01401527 -0.02678336 0.00643746 0.00531223 -0.00221469 +H 4.07668501 8.99014744 5.68673497 -0.02431116 0.00163059 0.01241462 -0.00277885 0.04570498 0.08364973 0.01930168 -0.01448601 0.00597163 +C 4.67863564 5.64520748 6.01407416 0.00055305 0.00266358 -0.00475138 -0.00292387 -0.01823420 -0.03752169 0.00016717 -0.00572554 -0.00579635 +N 6.29650916 7.46999885 5.80465798 -0.00128728 -0.00899870 0.00560092 -0.02725413 -0.07677308 0.03435816 -0.00540583 -0.00955441 0.00336873 +C 3.35038245 5.20245911 6.00429419 0.00305971 0.00051391 -0.00511405 0.01319623 0.00109845 -0.03266228 0.00030546 -0.00237631 -0.00371274 +H 5.42239367 4.88749025 6.05098830 0.02194523 0.00860390 0.00277469 0.07660749 0.06829334 0.04252149 -0.01089123 0.00613515 0.00554852 +C 7.47935257 6.79269686 5.96581726 -0.00646918 -0.00302822 0.01041915 -0.03377135 0.02551014 0.06968463 -0.00115782 0.00820142 0.00881420 +H 6.31861047 8.45832939 5.60865136 0.01438660 -0.02033466 -0.01850141 0.13955376 -0.12900261 -0.12014543 0.01357077 -0.02186975 -0.01065191 +O 7.63415689 5.67388041 6.39766844 0.00057379 0.00157493 -0.00163726 0.00077798 -0.00802381 -0.00849701 -0.00015154 -0.00329274 -0.00065450 +C 8.72189931 7.63706264 5.76120790 -0.00006168 0.00766606 -0.00284654 -0.01768699 0.05586461 -0.00396800 -0.00256601 0.00084682 0.00106044 +H 8.47669659 8.68370510 5.35833944 -0.00465383 0.00295406 -0.01352865 0.02031767 -0.09232891 -0.12376112 0.00079739 0.01456481 -0.02440778 +H 9.16972269 7.92849808 6.70629368 -0.00513527 -0.03539225 0.01396888 -0.03432453 -0.23381590 0.06507956 -0.00214676 -0.01503417 -0.00649228 +H 9.45132284 7.10241980 5.25906659 -0.01601261 0.00119967 -0.00951272 -0.03772345 0.00805289 -0.17730183 -0.02655968 0.02264881 -0.00967241 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99283933 5.58043914 6.01741192 0.00407064 -0.00658607 0.00072542 0.03067759 -0.02626189 0.00601446 0.00460502 -0.00285919 0.00021913 +C 2.24701478 6.11004650 5.91152055 0.00391810 -0.00276660 -0.00153784 0.03185344 0.00242441 -0.00568583 0.00476007 0.00370791 -0.00029635 +H 0.96999657 4.72599923 5.61824188 0.00067293 0.00999672 0.02041945 -0.02769431 -0.09494924 0.08845474 -0.00320064 -0.00200037 0.01751156 +C 2.62595186 7.42034276 6.24829350 -0.00130276 0.00716820 -0.00004475 -0.02196675 0.05041562 -0.01454034 -0.00301371 0.00658109 -0.00404688 +H 3.11409630 4.32825741 5.06280916 -0.01055022 -0.02813254 -0.01302612 -0.04923322 0.03782558 0.02746310 -0.00182213 0.01301051 0.00969992 +C 3.95600936 7.87905600 6.20218866 0.00341328 0.00139879 0.00296818 0.02407833 0.02878523 0.02890618 0.00125175 0.00509747 0.00444342 +H 1.83403848 8.13849244 6.36783159 0.00456255 0.01448846 -0.02309839 0.00041766 0.08896299 0.00431948 -0.00318079 0.00461171 0.02221924 +C 5.03011782 7.03253609 5.89113525 0.00047595 0.00035537 0.00028219 0.00155562 0.00716751 -0.00689343 -0.00129225 0.00221922 -0.00171874 +H 4.18116795 8.91052944 6.46355376 0.00148501 0.01196594 0.00121707 -0.01943255 0.02072435 -0.01698468 -0.00069362 0.00628031 -0.00171747 +C 4.63828586 5.75747009 5.44849130 0.00460511 0.00429215 0.00441905 0.01558513 0.00470194 0.03679822 0.00041042 -0.00255751 0.00516352 +N 6.37190736 7.49706997 5.87725433 -0.00270915 -0.00276467 -0.00658497 -0.03663339 0.00124551 -0.04511164 -0.00717803 0.00142831 -0.00517941 +C 3.27338518 5.33649510 5.42205936 -0.00003961 0.00399443 -0.00251755 0.03416701 -0.01693291 -0.02774198 0.00890171 -0.00577031 -0.00353579 +H 5.34766411 4.94498713 5.25866537 0.01216838 0.02131041 0.01704325 0.12288622 0.14964999 -0.01280197 0.01665515 0.00889838 -0.02141744 +C 7.50505826 6.82421073 5.97505107 -0.00933061 0.00137550 -0.00336574 -0.04459252 -0.00946437 -0.03360061 -0.00222960 -0.00423541 -0.00641853 +H 6.55545423 8.48462350 5.62089945 0.01073714 0.01552988 0.03882635 -0.06012399 -0.01402172 0.36110439 -0.02199489 0.00595128 0.05361837 +O 7.58232207 5.60648418 5.94433784 -0.00250043 -0.00595421 0.00115812 -0.01641192 -0.03615183 0.01311194 -0.00227131 -0.00333866 0.00245802 +C 8.75557170 7.67090964 6.00306112 -0.00210676 0.00169555 0.00332771 -0.02056980 0.01696650 -0.01150062 -0.00183939 0.00010939 -0.00072003 +H 8.66588140 8.51786104 5.31118910 0.01505602 0.03658293 -0.01067434 0.09570185 0.05924487 0.11979925 0.00976879 -0.00303188 0.02908376 +H 8.96407530 8.01267090 6.97144445 -0.00105685 -0.03978004 -0.01774105 0.03584101 -0.14655923 0.14236489 -0.00143104 -0.01094355 0.00549154 +H 9.60007719 7.12137899 5.65214935 -0.01597522 -0.01318846 0.00656419 -0.05536907 -0.12923115 0.01778068 -0.01419944 -0.00563902 -0.00005795 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95166821 5.79609110 5.89735827 -0.00447342 0.00076412 -0.00625785 -0.02634813 0.01373303 -0.05869726 -0.00229455 0.00179374 -0.00851533 +C 2.30567180 6.00233017 5.90432635 0.00187099 -0.00845894 0.00470322 -0.00697508 -0.05003468 0.02942729 -0.00336127 -0.00410515 0.00167164 +H 0.58614951 6.24029346 5.16103258 -0.02486783 0.02749854 -0.00921860 -0.11355490 0.08031808 0.07113311 -0.01256924 0.01022471 0.01010599 +C 2.97289479 5.62522278 7.05924818 -0.00534177 0.00166927 0.00551185 -0.01396895 -0.00432913 0.07475044 0.00001113 -0.00411689 0.01569205 +H 2.51966534 6.88825432 3.89436594 0.00370182 0.00054413 0.01996839 -0.01517621 0.05270058 0.09791289 -0.02658498 0.02217385 -0.02830654 +C 4.35103609 5.85678977 7.26330403 0.00322559 -0.00318562 0.00561849 0.01402452 -0.00162530 0.00358522 0.00023981 0.00229241 -0.00434025 +H 2.49128247 5.21241159 7.85877186 -0.01219548 -0.02314557 0.02140144 -0.10110247 -0.10446654 0.04153787 0.00402362 0.01049563 -0.02809371 +C 5.09861416 6.50708548 6.24487032 0.00446492 -0.00082698 -0.00842073 0.03235501 -0.02126493 -0.02894141 0.00453446 -0.00463871 0.00086037 +H 4.82782070 5.60625140 8.21838311 -0.00907210 -0.00092587 -0.01052585 -0.01580804 -0.05661677 0.01201341 0.00647267 -0.01131768 0.00912352 +C 4.39987240 6.82568976 5.04403042 0.00554530 0.00459321 -0.00502030 0.03248857 0.03498386 -0.03832311 0.00146176 0.00460285 -0.00639552 +N 6.47197445 6.75988009 6.49930243 0.00222094 0.00308852 0.01178770 0.01756040 0.02778869 0.05023461 0.00209505 0.00397074 0.00306405 +C 3.02569863 6.62428219 4.89546589 -0.00350021 0.00109645 -0.00273103 -0.01262256 -0.00431201 -0.01300489 0.00286583 -0.00355359 0.00415052 +H 4.92546063 7.27166159 4.22266028 -0.02430444 0.00004285 -0.01836079 -0.07308892 0.04484516 -0.12180112 0.00591080 0.00975920 -0.00242749 +C 7.43066468 7.25546153 5.65720538 0.00387302 -0.00086776 0.00414786 -0.01000824 -0.00480414 0.00767670 -0.00509247 0.00058165 -0.00191068 +H 6.85143965 6.52699583 7.39191269 -0.00291457 0.00198046 0.00625458 -0.06495251 0.03071651 0.11426668 -0.01637654 0.01313839 0.00683766 +O 7.31976890 7.42345086 4.44436425 -0.00265675 -0.00033535 -0.00345460 -0.03175338 -0.00749460 -0.01350154 -0.00638209 -0.00200588 0.00038098 +C 8.72405025 7.66293940 6.18625674 0.00156779 0.00261218 -0.00486087 0.04271944 0.01636616 -0.00337862 0.01058082 -0.00019714 0.00033432 +H 9.02900409 7.04383178 7.01358933 0.00635495 -0.02239954 0.00976519 0.03929682 -0.06957899 -0.09116052 0.00828636 0.00054467 -0.03077621 +H 9.39583807 7.57374986 5.38486290 -0.01771899 -0.00126037 -0.03577077 -0.00770297 0.00362164 -0.11901615 0.00082639 0.00738931 0.02645398 +H 8.74229415 8.71670299 6.51636538 0.02384406 0.00807669 0.01937202 0.10068421 -0.04941386 0.06418312 0.00468095 -0.00537300 0.00371273 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.93558798 5.91833945 5.64112743 -0.00566218 0.00052617 0.00506486 -0.02428927 -0.00104079 0.04014984 -0.00220859 -0.00317855 0.00617141 +C 2.28068232 6.09906253 5.87579107 0.00147463 -0.00061568 -0.00439959 -0.00156681 0.01881305 -0.03627520 -0.00150167 0.00176900 -0.00538442 +H 0.65676706 5.04615169 5.80286046 -0.01292403 0.01760634 -0.03538637 -0.10157396 -0.02904257 -0.23398854 0.00424734 0.01680823 -0.03057930 +C 2.59953375 7.51765256 5.97990097 -0.00376050 -0.00492513 0.00037366 0.00395571 -0.06576065 0.01390478 0.00372852 -0.00865220 0.00327106 +H 3.06816811 3.99184862 5.85516043 0.00397489 0.02372149 0.00365404 -0.01337800 0.03577051 -0.03522921 -0.00402933 -0.01600596 -0.00989950 +C 3.97130524 7.85070347 6.07716891 -0.00074328 0.00388528 -0.00029847 -0.00814369 0.02317220 -0.00809122 -0.00139504 0.00093360 -0.00198938 +H 1.85615166 8.26716898 6.09833503 -0.00783155 -0.01107835 0.00968223 -0.06499376 -0.07912752 -0.03971389 0.00520502 -0.02350445 -0.01923292 +C 5.01010294 6.87274504 6.05660884 -0.00041238 -0.00300184 -0.00440743 0.00568758 0.02058808 -0.02226135 0.00194742 0.00962882 -0.00157852 +H 4.19816873 8.90534465 6.10932032 -0.00362692 0.01901636 -0.00410361 -0.01607458 0.01074231 0.01482964 -0.00126807 -0.00866467 0.00796561 +C 4.67236543 5.49984633 6.00183036 0.00021895 0.00877874 -0.00040249 -0.01822356 0.03731690 -0.01877451 -0.00208006 -0.00047694 -0.00422392 +N 6.32488107 7.38789239 6.13891884 0.00821975 -0.00222055 0.00287239 0.02392785 -0.02039104 0.02949699 -0.00253537 -0.00615005 0.00390493 +C 3.29025589 5.07932421 5.88756914 0.00372446 -0.00421369 0.00002510 0.03006108 0.02048116 0.00734126 0.00177357 0.01075240 0.00107583 +H 5.45864057 4.81515450 5.88232619 -0.00677991 0.00005284 0.00533861 -0.02943826 -0.05645001 0.11235957 -0.01720919 0.00551203 0.02332980 +C 7.53315884 6.79943820 5.88217251 -0.00255629 0.00124295 0.00075617 -0.00865381 0.02539900 0.00176722 0.00206428 0.00126575 -0.00117618 +H 6.31618834 8.33333538 6.55083065 0.00220242 0.03474874 0.01015677 0.10803682 -0.05554459 -0.12621990 0.02395824 0.00012453 -0.02412502 +O 7.78373976 5.66352264 5.53372077 0.00448367 -0.00575791 -0.00099232 0.02158246 -0.03476929 -0.00334314 0.00105763 -0.00190125 0.00068577 +C 8.62270294 7.85698374 5.94526890 -0.00316185 0.00318087 0.00222887 -0.01284688 0.00659337 -0.00763123 0.00064661 -0.00166659 -0.00250147 +H 8.67757923 8.40202311 4.97624620 -0.00102506 -0.01106333 0.00757073 -0.05999267 -0.04375360 -0.00243344 -0.00916292 0.00474475 -0.02063352 +H 8.38323230 8.62575676 6.72567009 -0.00273665 -0.02300587 -0.03749870 0.00263313 0.03107682 -0.02306917 -0.00053458 0.03103460 0.02822157 +H 9.62138872 7.46864070 5.98852436 -0.00461326 0.01228360 0.00900610 0.00118760 0.00612347 0.17371986 -0.00947436 -0.00546524 0.03088292 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92050068 5.72459573 5.94090111 -0.00059741 -0.00176154 -0.00203222 -0.01362387 -0.01724500 -0.02075214 -0.00294357 -0.00083738 -0.00164521 +C 2.21830135 6.11337401 5.92424448 -0.00305193 0.00117569 0.00433173 -0.02075675 0.00311896 0.02969015 -0.00083867 0.00001719 0.00356885 +H 0.70992591 5.03898802 5.28004196 -0.01189864 -0.01481452 -0.00423281 -0.03237689 -0.02297610 0.05716369 -0.00484000 -0.02456686 -0.01022545 +C 2.58835863 7.18929860 6.70498188 -0.00036538 0.00245836 -0.00453128 0.02399350 0.04122477 -0.01931088 0.00467853 0.00516854 -0.00314758 +H 2.83447792 4.57895376 4.61708244 -0.00691490 0.00285398 0.01193686 0.02196841 -0.00004794 0.01697276 0.01166021 0.00293220 -0.00344466 +C 3.98483662 7.56466709 6.76974187 -0.00529242 0.00005073 0.00620636 -0.03989032 0.00676336 0.02232522 -0.00157792 0.00056532 -0.00111700 +H 1.89679285 7.88986514 7.27267160 -0.00746733 -0.00089528 -0.02115195 -0.08676079 -0.11491626 -0.16239927 -0.03350425 -0.00019633 -0.00158917 +C 4.99941635 6.90051445 6.04634234 0.00178942 -0.00310777 0.00191639 0.02244578 0.00138751 0.02267656 0.00002119 0.00106480 0.00321494 +H 4.17691632 8.54499112 7.25571577 -0.00316267 0.00067505 -0.01153257 0.02433857 -0.05969167 0.03212467 0.00866694 0.00123962 0.02951840 +C 4.57281420 5.84275703 5.23263297 0.00732671 -0.00056512 -0.00903799 0.02821231 -0.02619259 -0.06274595 -0.00067439 -0.00265522 -0.00497663 +N 6.36295760 7.44401560 6.15109104 -0.00272374 -0.00168734 0.00411855 -0.03561181 -0.02878954 0.02543380 -0.00358202 -0.00702536 0.00255112 +C 3.18163520 5.43005121 5.17926617 -0.00653700 0.00243464 0.00371680 -0.00160761 0.01860057 0.02333780 0.00652844 0.00155365 0.00183968 +H 5.29920581 5.25403777 4.65695582 0.02289255 -0.00320539 -0.01989235 0.03572472 0.07313204 -0.06910647 -0.00129007 0.00807348 -0.01257998 +C 7.55576244 6.90681597 5.75225302 -0.00272657 0.00139091 0.00609262 0.00411406 -0.00866228 0.03368164 0.00293233 -0.00323895 0.00287952 +H 6.37898895 8.32372820 6.67430668 0.01201143 0.00315819 0.01786632 0.10242980 -0.08625385 0.02716065 0.00835154 -0.00709941 0.00274128 +O 7.76725491 5.77525036 5.23674803 -0.00056181 -0.00240206 0.00081499 -0.02322625 0.00718479 0.01506492 -0.00577559 0.00410324 0.00349100 +C 8.83033750 7.71842939 6.07723607 0.01070811 0.00090712 -0.00694806 0.04740466 0.01525868 -0.06556810 0.00287517 0.00132820 -0.00855449 +H 9.04065918 7.57299970 7.12376181 0.00031012 -0.00939442 -0.00504551 0.10190886 0.03196716 -0.05215136 0.02552572 0.01506736 -0.02147196 +H 9.64462429 7.33647507 5.43270107 0.00348854 0.03946123 -0.01714275 0.08465326 0.12260516 -0.05928231 0.01952380 -0.00843105 -0.00566016 +H 8.77011669 8.76746575 5.68034502 0.02493319 0.01515824 -0.00952766 0.06625477 0.00226734 0.13598080 -0.01208873 0.01344691 0.03294689 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96043523 5.83495559 5.69965972 0.00162562 -0.00202545 -0.00210013 0.00488672 -0.01044492 -0.00126999 0.00106965 -0.00136083 0.00026844 +C 2.31495910 5.97771829 5.77196033 -0.00307876 0.00178071 -0.00140632 0.00254071 0.00388541 -0.00715972 0.00275583 -0.00079674 -0.00049400 +H 0.48621490 6.05054700 6.49104161 0.01186099 0.02431509 0.02468849 0.15830332 0.13846000 -0.01943064 0.01206158 0.02474432 -0.00208631 +C 3.17379275 5.06924147 5.06024597 -0.00201755 -0.00538033 0.00794087 -0.04497234 -0.02711531 0.06111618 -0.00790800 -0.00020154 0.00941630 +H 2.40265961 7.93748222 6.94262165 -0.01311212 -0.00653781 -0.00841549 -0.15747821 -0.20698403 0.02696260 -0.03381451 -0.02562136 0.02583172 +C 4.55074628 5.27243228 5.12567088 -0.00581003 -0.00359497 -0.00141580 -0.02977060 -0.02022103 -0.04086981 -0.00253454 -0.00126813 -0.00890194 +H 2.77598067 4.23050523 4.44673172 -0.01732447 -0.00519101 -0.02090663 -0.06478501 0.12676202 0.01981376 -0.01542591 0.00879840 0.00780640 +C 5.18285309 6.35697003 5.75693238 0.00239424 0.00067000 -0.00487814 -0.00134205 -0.00555662 -0.02241975 -0.00278080 -0.00281350 -0.00199865 +H 5.03970915 4.66794966 4.37278225 -0.02765999 0.00790588 -0.01809834 -0.00479792 -0.02817990 -0.01730050 0.02334261 -0.01622923 0.01067570 +C 4.32183241 7.21577845 6.49406130 0.00275737 0.00169370 -0.00685178 0.00385799 0.01126472 -0.03195128 -0.00169722 0.00001905 -0.00256280 +N 6.56522420 6.49641340 5.62119462 0.00373912 -0.00129533 0.00289668 0.02388147 -0.01600527 0.01495188 0.00159670 -0.00277835 0.00123704 +C 2.91963676 7.03476429 6.52605664 -0.00259231 -0.00085316 -0.00023622 -0.00933250 -0.00031974 -0.02754108 0.00078393 -0.00089070 -0.00798315 +H 4.61009705 8.10166180 7.07617954 0.00703682 -0.01642670 0.02099107 0.13497099 -0.13487896 0.03296041 0.02575566 -0.00667647 -0.00422752 +C 7.38009102 7.38653973 6.20102060 0.00389277 0.00708967 0.00224791 0.00918193 0.02930669 -0.01177100 -0.00148896 0.00151866 -0.00418323 +H 7.02152835 5.84162736 5.03086933 -0.01054468 -0.01275027 -0.02598525 -0.07997412 0.02683408 -0.08244998 -0.00338867 0.01823980 0.00260238 +O 6.96342148 8.19820867 6.98563952 0.00432467 0.00342827 0.00415636 0.03969049 0.03745498 0.04221152 0.00714947 0.00645625 0.00699758 +C 8.78229950 7.42664871 5.62282066 0.00122183 0.00038998 -0.00029423 0.00581964 0.00197274 0.01557738 0.00159062 -0.00108650 0.00339437 +H 9.27152001 8.34319294 5.89502867 -0.01392688 -0.01040086 0.01764407 -0.02998803 0.04140586 0.10705296 0.00500299 0.00070190 0.00981381 +H 9.40947037 6.71929946 6.05646976 -0.01661582 -0.02923619 -0.01549050 -0.09828541 -0.24849271 -0.11232669 -0.02701712 -0.00348170 -0.02868440 +H 8.77473215 7.32088730 4.55782238 -0.02759888 0.02266023 0.01099604 -0.13454357 0.15960204 -0.03813079 -0.00475995 0.02302450 0.00438644 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97420951 5.68252128 5.79307536 0.00068741 0.00281914 -0.00183395 0.00207563 0.02405070 -0.01864294 0.00033952 0.00264646 -0.00138800 +C 2.33930342 5.92680094 5.89788638 -0.01018146 -0.00069368 -0.00074964 -0.02779356 0.01213769 0.02918067 0.00276006 0.00375639 0.00637379 +H 0.51811803 6.13180306 5.09385071 -0.01114062 0.01975522 -0.01703074 0.05790232 0.03313597 0.00353549 0.00894289 0.00915233 -0.01147987 +C 3.00582411 5.93258273 7.21208427 -0.00176623 -0.00295553 -0.00021330 -0.02375930 -0.01646928 -0.03561127 -0.00713296 -0.00287257 -0.00235367 +H 2.63852962 6.41836493 3.82485399 -0.00584246 -0.00788446 0.01776689 0.01648376 -0.05293632 0.01166752 0.00689598 -0.00976516 -0.01663684 +C 4.36374586 6.29661965 7.38356256 0.00128760 -0.00270757 0.00797776 -0.01770515 -0.01327679 0.03846721 -0.00528602 -0.00092267 0.00041229 +H 2.47245967 5.75368180 8.07528173 0.01102796 0.00398378 -0.02907425 -0.11450182 -0.10025999 0.03220066 -0.00902560 -0.01728329 -0.01264458 +C 5.04692688 6.75279356 6.27511512 0.00148179 -0.00432066 -0.00154251 0.02285534 -0.04539508 -0.00171830 0.00533801 -0.00747100 0.00287663 +H 4.80599711 6.29698407 8.37780748 0.01120186 0.00649468 -0.00089513 0.04359947 0.00530248 0.01040847 -0.00426708 -0.00708972 0.00636807 +C 4.40348257 6.70257122 5.00674071 -0.00064929 0.00750334 0.00014441 0.03120657 0.05820600 0.01270177 0.00706683 0.00740627 0.00055602 +N 6.40272300 6.97110772 6.49699322 0.00379931 0.00764724 -0.00240020 0.02805064 0.05130074 -0.01866166 0.00335953 0.00585077 -0.00031021 +C 3.11438918 6.37857682 4.80545426 0.00709535 -0.00934436 0.00024798 -0.01104501 -0.08210150 0.01717894 -0.00683279 -0.01188498 0.00497730 +H 4.96691744 6.93903299 4.13786710 -0.00770856 -0.00754415 0.03014002 0.03354322 0.06535284 -0.05766026 0.00122410 0.02187282 -0.02054526 +C 7.40804208 7.15734993 5.64098546 -0.00427726 0.00472119 -0.00653651 -0.02468968 0.03976310 -0.05306081 0.00019537 0.00649541 -0.00291797 +H 6.75514555 6.95377834 7.39990357 0.01804569 -0.01257390 -0.01203068 0.04243556 -0.07583249 0.02502659 -0.01549648 -0.00238479 -0.01673457 +O 7.19566629 7.22039001 4.39551689 -0.00103189 -0.00130459 0.00539747 0.00621549 -0.00892691 0.03798194 0.00218952 -0.00103411 0.00191770 +C 8.81029638 7.39790105 6.21115911 0.00094395 -0.00111528 -0.00112533 0.00644289 -0.01518106 -0.00887103 0.00088039 -0.00129343 -0.00504262 +H 9.35009420 7.97345976 5.53611127 -0.00022263 -0.00890612 -0.00525545 0.06318750 -0.01122922 -0.09949050 -0.00010318 -0.01776205 0.00730224 +H 8.82326698 7.97557428 7.15442947 0.00888651 -0.01190533 -0.00770067 -0.02017219 -0.01886422 -0.01980838 -0.01276316 0.01148683 0.00585661 +H 9.43367306 6.51783126 6.40338118 0.00070005 -0.00552443 0.02228660 -0.11376147 -0.05503221 0.06713701 -0.02635296 -0.01425257 -0.00375231 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.09274871 5.59460699 5.90862631 0.00221405 0.00369102 0.00244338 0.01026864 0.03227204 0.01535564 -0.00210552 0.00523810 0.00227534 +C 2.31841378 6.19690955 5.80785743 0.00374613 0.00225281 0.00480137 0.01108601 -0.05180785 0.04192079 -0.00092023 -0.01172745 0.00709401 +H 0.41740786 6.18910840 6.06407812 -0.01406558 -0.02277339 -0.01676196 -0.12186014 -0.06436369 -0.09615570 0.01527863 -0.01206099 -0.01503138 +C 2.60347035 7.50272452 6.11351670 -0.01004218 -0.00300904 -0.00404694 -0.02693332 0.00012574 -0.02610314 0.00213554 0.00077434 -0.00317494 +H 3.04466159 4.15716520 5.58835569 0.00450849 -0.00694108 -0.00285658 0.08095969 0.05344357 -0.05473328 0.01522564 0.01825814 -0.01085534 +C 3.97228109 7.92065439 6.06757553 -0.00451944 -0.00957236 -0.00123029 -0.04652247 -0.04217152 -0.01158862 -0.00646288 -0.00127541 -0.00296781 +H 1.80073782 8.19711741 6.43421098 0.02731277 -0.00957838 0.00676525 0.03652373 0.04496951 0.00111624 -0.02346951 0.02211790 -0.00819474 +C 4.98551792 6.98681087 5.82334601 0.00182991 0.00807515 -0.00409041 0.02451219 0.02419620 -0.01275300 0.00340087 -0.00314488 0.00055762 +H 4.25155811 8.93683068 6.26466395 0.01274525 0.00774463 -0.03015367 -0.03873920 -0.04184766 -0.14735254 -0.02459865 -0.01371604 -0.00616155 +C 4.64748942 5.62124185 5.65249740 0.00120242 -0.00430608 0.00056280 0.02069438 0.00626563 -0.00556452 0.00780658 0.00530764 -0.00215579 +N 6.29784939 7.46746131 5.99802189 0.00631842 0.00002853 0.00559728 0.01984302 -0.01786198 0.02653759 -0.00072189 -0.00035249 0.00274887 +C 3.32103175 5.19249425 5.67273659 0.00640688 0.00631448 -0.00211319 0.02799670 0.05089312 -0.01865267 0.00201444 0.00541936 -0.00339133 +H 5.37936867 4.91435208 5.37343688 -0.01116128 0.01649993 0.01210344 0.07348183 -0.08583635 0.12374904 0.00193684 -0.01457798 0.02547050 +C 7.47544314 6.80709313 5.94296949 -0.00582219 -0.00074863 0.00583526 -0.01563603 -0.00705831 0.03259507 0.00289229 -0.00279299 0.00305904 +H 6.31771940 8.42918207 6.21907178 0.00552088 -0.02578300 -0.00801307 0.12044691 0.05320705 -0.01109027 0.02020938 -0.00443589 -0.00280796 +O 7.61694675 5.59538757 5.74234171 -0.00582633 -0.00351375 -0.00442927 -0.03989863 -0.01163838 -0.02741303 -0.00526526 0.00073233 -0.00313167 +C 8.70363175 7.71438478 6.11432665 0.00059394 0.00445636 0.00341921 0.00282667 0.00115951 0.01125609 -0.00232646 -0.00297219 0.00025899 +H 9.58882202 7.06232441 6.38220333 0.01834752 0.00700112 -0.02136292 0.02919984 0.13588955 -0.14919186 0.01597128 0.00813406 -0.01148987 +H 8.91936963 8.31399285 5.19409080 -0.00473892 0.00050449 0.00542476 -0.05700219 -0.01805729 0.04321001 -0.01078498 0.00547911 -0.01111914 +H 8.48495720 8.40139821 6.96556832 0.00976247 -0.01114465 -0.02879361 0.09508271 0.06252317 -0.01932263 0.01548986 0.02499800 0.02416508 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96135222 5.91022197 6.00957492 0.00200415 0.00558060 -0.00850765 0.02915115 0.04742230 -0.07807445 0.00614728 0.00746504 -0.01257239 +C 2.33004466 6.04411347 5.97260175 0.00567774 0.00320355 0.00467598 0.02808505 0.01513699 0.03617359 0.00153644 0.00156230 0.00407756 +H 0.71576773 6.13225200 5.15045356 0.01159742 0.01603493 -0.02711986 -0.01481730 0.07894166 -0.05082038 -0.01297044 0.00881720 0.00657520 +C 3.02261345 5.42871270 7.03033393 0.00117415 -0.01030086 0.00884143 0.01639724 -0.05865504 0.03699323 0.00290677 -0.00523949 0.00148849 +H 2.57353689 7.27953635 4.11674046 -0.00447017 0.00169271 -0.03119677 -0.04221415 -0.11800561 -0.03922785 -0.01666838 -0.01762699 0.00134158 +C 4.44019491 5.52130839 7.01695390 -0.00186801 -0.00214573 -0.00154877 0.00209628 -0.01150429 -0.00318411 0.00243738 -0.00241533 0.00204816 +H 2.45117290 4.89098232 7.75500806 0.00075243 -0.00580235 0.02173751 0.08406588 -0.01748105 0.14180686 0.02395128 0.00355919 0.00586500 +C 5.14498247 6.24860554 6.01537930 0.00471765 -0.00604801 0.00151481 0.01509907 -0.03038856 0.00976200 0.00013238 -0.00269931 0.00215866 +H 5.07959482 5.15624870 7.79976494 -0.00067981 0.00141965 -0.00290766 -0.09378962 -0.07270197 0.04762558 -0.02130138 -0.01584604 0.01002101 +C 4.43919168 6.84001565 4.93948747 0.00005305 -0.00699708 0.00516204 0.00309599 -0.05886268 0.04817054 -0.00245637 -0.00891785 0.00690965 +N 6.50020006 6.48895153 6.20938079 -0.00293368 0.00660789 0.00202950 0.00261071 0.02323174 0.03482423 0.00092332 0.00053396 0.00646746 +C 3.04933088 6.72393225 4.93727837 -0.00300912 0.00616734 -0.00160415 -0.03173040 0.04489164 -0.01485465 -0.00298278 0.00322315 0.00151819 +H 5.04982412 7.37991451 4.18384011 0.00747006 -0.02005361 0.01484796 -0.10621150 -0.10257940 -0.00285288 -0.01511342 0.00095468 -0.02475598 +C 7.37203812 7.40383338 5.71711413 -0.00433102 -0.00345976 0.00165329 -0.03704306 -0.00632375 -0.00208442 -0.00389118 0.00246480 -0.00242195 +H 6.97743440 5.87297175 6.88327601 -0.00946986 0.00797410 0.02544459 -0.13158594 0.12661497 0.12170626 -0.00711709 0.01048852 0.03079471 +O 7.00953308 8.18985839 4.84048335 -0.00035918 0.00131752 0.00111368 0.00945774 0.01094048 0.01153934 0.00213879 0.00165821 0.00173914 +C 8.79862457 7.46862757 6.31219299 -0.00081689 0.00238932 -0.00958182 -0.01613815 -0.00124897 -0.06282613 -0.00607479 -0.00137429 -0.00681682 +H 9.29122474 6.46278457 6.13866927 0.00364047 0.00261365 -0.01641224 0.04939954 0.15932602 -0.20708695 0.02302753 0.01168857 -0.04498859 +H 9.37968185 8.33544772 5.92890201 -0.00085191 0.02236753 0.00153887 -0.06702697 0.01784216 0.04829022 -0.01135972 0.00054505 0.00581172 +H 8.77657344 7.47105239 7.39336089 -0.01236800 -0.02271074 -0.00536208 -0.08694501 -0.04667949 -0.06104750 -0.00679759 0.00481822 -0.01537741 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00063019 5.62816606 5.92961265 -0.00207427 -0.00218684 0.00226185 -0.03252293 -0.00238501 0.01028260 -0.00413420 0.00047752 0.00119630 +C 2.30088239 5.96563557 5.87112617 -0.00347266 -0.00206391 0.00056164 0.00693509 -0.00134504 0.01623396 0.00471636 0.00020478 0.00399506 +H 0.33765962 6.25166842 5.62226751 0.00144792 0.03284722 -0.00181138 0.16176100 0.12323886 0.06348764 0.01159393 0.02937273 0.00791031 +C 3.23130650 4.89988864 5.99418663 0.00493781 0.00118872 -0.00068197 -0.00507996 -0.01033105 -0.01901787 -0.00480284 -0.00119818 -0.00514576 +H 2.31907283 8.26494452 5.87427656 0.01126541 -0.01672710 -0.00908051 -0.16039581 -0.06604554 -0.10991147 -0.02703364 -0.02649877 -0.02169903 +C 4.59672057 5.06350152 5.92553849 -0.00289830 0.00000342 0.00016527 -0.00117608 0.00459129 -0.00430254 0.00117450 0.00104351 -0.00037707 +H 2.86749671 3.85564323 6.06358949 0.01335939 -0.01611038 -0.02792331 0.06478281 0.03267159 -0.14067408 -0.00852065 -0.00495720 -0.00691887 +C 5.14919618 6.34423607 5.77104723 -0.00060172 0.00031900 0.00013146 -0.01284459 0.00292015 0.01723726 -0.00150303 0.00180584 0.00466667 +H 5.23177555 4.17552151 5.89198635 -0.01761988 -0.00785534 0.01732649 -0.07980889 -0.02166667 0.16429167 0.00410475 -0.00127370 0.02209598 +C 4.22222251 7.43508547 5.69727904 -0.00078026 0.00219850 0.00716565 0.01256722 0.02440346 0.04445582 0.00327469 0.00315970 0.00431892 +N 6.54607100 6.40842888 5.93575699 0.00018914 0.00150672 -0.00320801 0.00114330 0.01214695 -0.03341220 -0.00025173 0.00026568 -0.00547577 +C 2.79467868 7.31467522 5.82179904 0.00227406 0.00279561 -0.00285632 0.04447603 -0.02062699 -0.02369103 0.00585294 -0.00631938 -0.00330924 +H 4.71776246 8.41232332 5.62796137 -0.00547801 0.00891306 -0.03269773 -0.19031748 0.03639907 -0.15574128 -0.02553235 0.01483028 -0.00721482 +C 7.39715696 7.45522074 5.87200179 0.00471286 -0.00049144 -0.00214341 0.01633450 -0.01394049 0.00468487 -0.00082051 -0.00239117 0.00305898 +H 6.97339040 5.53414368 6.21126201 -0.02493525 0.01123595 0.01056248 -0.06476276 -0.00657641 0.04458990 0.00658052 -0.00289087 -0.00304584 +O 6.93792223 8.57600405 5.83658993 -0.00316007 -0.00443713 -0.00123967 -0.00900433 -0.01561104 -0.01753921 0.00067076 -0.00027902 -0.00371140 +C 8.90312589 7.23604421 6.18371931 0.00355378 0.00282958 0.00243745 0.00535337 0.01156401 0.01857429 -0.00039664 0.00411611 0.00213406 +H 9.46715729 8.06061335 5.88900992 -0.00503352 0.01213789 0.01002746 0.00261552 0.14307444 0.10134431 -0.01367532 -0.00513292 0.02982934 +H 8.90243851 7.14645007 7.29002660 -0.00695574 -0.03668408 -0.00472278 0.04908244 -0.19881738 -0.04520712 0.01733320 -0.01613052 0.00424186 +H 9.37571500 6.32784427 5.72922751 0.02234507 0.01565925 0.00971882 0.06710062 0.10750705 0.01175762 0.00430528 0.00081970 -0.02050064 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00832290 5.85955837 5.62067538 -0.00081054 0.00029280 0.00303862 -0.00288956 0.00264802 0.02820640 0.00030703 0.00032616 0.00487810 +C 2.31804708 6.07882990 5.93403314 0.00219650 0.00048308 -0.00408327 0.00514127 0.01107678 -0.02779943 -0.00093960 0.00192042 -0.00377521 +H 0.78934649 4.94710265 5.36612425 0.01695344 0.01003505 0.00620034 0.10042608 -0.00842688 0.01121521 0.00667153 -0.01361872 -0.00370746 +C 2.69201139 7.34382413 6.41338223 0.00573433 -0.00426771 -0.00207073 -0.00063078 -0.03451852 -0.02027867 -0.00465146 -0.00393380 -0.00353201 +H 3.08718317 4.25815741 5.06434762 -0.02186049 0.02848990 -0.00808697 -0.13126385 0.02693545 -0.00326617 -0.00127450 -0.00906184 0.01457481 +C 3.99750569 7.75670982 6.43104377 -0.00425279 -0.00546868 -0.00562999 -0.00437849 -0.00645732 -0.01633791 0.00115610 0.00249939 0.00047549 +H 1.88879078 8.02914322 6.69564144 0.00812769 -0.00567026 -0.01442096 0.04553412 0.00606710 -0.07141742 -0.00456687 0.01041222 -0.00261189 +C 5.07038965 6.94218708 6.03391716 0.00237047 0.00507175 0.00230103 -0.02683968 0.01040111 0.01026489 -0.00863847 -0.00322312 0.00019397 +H 4.16011618 8.76309084 6.83399659 -0.02121939 0.00264781 -0.00204124 -0.07625802 -0.01812817 -0.08380031 0.00559617 0.01178251 -0.01314515 +C 4.69121175 5.62365285 5.60013109 -0.00386916 0.00040693 0.00267457 -0.03250913 -0.00218508 0.02105383 -0.00121162 -0.00128829 0.00283708 +N 6.31781147 7.52786463 6.05773096 -0.00108794 0.00012852 0.00230481 -0.00579660 -0.00750527 0.02012982 0.00102537 -0.00234025 0.00368654 +C 3.30774112 5.16730244 5.59054804 -0.00286579 0.00013687 0.00134768 0.01357024 0.02275342 -0.00956116 0.00322004 0.00427429 -0.00486903 +H 5.36139077 4.92235086 5.21004970 0.00493050 -0.00459579 0.01018279 0.05180888 -0.00597050 0.06751698 -0.01031971 0.01516926 0.01486549 +C 7.42263353 6.88663991 5.77501598 0.00368323 0.00469107 0.00158400 0.05212490 -0.01650015 0.02777416 0.00660011 -0.00663958 0.00609719 +H 6.41595753 8.39154582 6.51538694 0.00461698 -0.00049973 0.02857793 0.00357938 -0.00738924 0.05010237 -0.00537294 -0.00999712 -0.01949766 +O 7.53345175 5.59589854 5.75016097 0.00100571 -0.00182838 -0.00170655 0.01370324 0.03567136 -0.01951965 0.00346268 0.01011490 -0.00377510 +C 8.68016126 7.81956417 5.83726520 -0.00219993 -0.00119710 -0.00194494 -0.01633584 -0.02516036 -0.03275651 0.00008425 -0.00467535 0.00050299 +H 8.71357373 8.28410217 6.73868766 0.00490677 -0.01346186 -0.00647047 0.05093986 0.02735975 0.09308176 0.00305991 -0.01067249 -0.02375639 +H 9.60842794 7.26527096 5.69912330 -0.01004541 0.01124172 -0.00806813 -0.01693677 -0.05107839 -0.01716381 0.00123385 -0.02183901 0.00037966 +H 8.72359703 8.54727317 4.95606585 0.01611447 -0.00388666 0.01032552 -0.00146058 0.01037604 0.10380534 -0.01691075 0.02648350 -0.01117609 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.10193272 5.57317896 5.78147135 0.00275212 0.00560284 0.00023689 -0.00534089 0.03827804 0.00461294 -0.00267159 0.00452268 0.00049053 +C 2.32439200 6.10077056 5.81042750 0.00380912 -0.00675543 0.00724332 0.05346464 -0.04716669 0.05404142 0.00872142 -0.00469391 0.00812080 +H 0.44378976 6.14562656 6.10248191 -0.01127189 0.00392841 0.03568829 0.04216317 -0.05955238 0.16773357 0.01169859 -0.00945985 0.02106699 +C 2.53657918 7.40241191 6.24184165 0.00436475 0.00492005 -0.00421987 0.03038293 0.02955161 -0.03801437 0.00071270 0.00171083 -0.00572998 +H 3.19170897 4.16864059 5.52568976 0.00326568 -0.00114230 -0.03746738 0.08597346 0.00205669 -0.31809185 0.01555763 -0.00591766 -0.04367554 +C 3.86143888 7.92255407 6.29657051 0.00173821 -0.00207141 -0.00156362 0.01278062 -0.01909042 -0.01170613 0.00177952 0.00276414 -0.00046460 +H 1.73718146 8.02712362 6.43615953 -0.01757841 -0.01422836 -0.00029638 -0.08255543 -0.02050866 -0.00139804 0.02649526 -0.00525675 -0.00925493 +C 4.99194156 7.04606573 6.07242849 -0.01266054 0.00651130 0.00294024 -0.03177924 0.02486186 0.02690931 0.00570527 -0.00222401 0.00375530 +H 3.99449350 8.92962746 6.52204017 0.00472512 -0.01393889 -0.00882121 0.06306375 0.04627090 0.00289613 0.00543081 -0.01037550 0.00103395 +C 4.72825516 5.66921975 5.80822750 -0.00416448 -0.00141660 -0.00323126 -0.01849001 0.02255805 -0.01748422 -0.00100899 0.00674706 -0.00164194 +N 6.35901861 7.47575433 6.31710102 0.00710521 0.00149478 -0.00052940 -0.01645971 -0.00567350 -0.01579694 -0.01177970 -0.00020303 -0.00152198 +C 3.42906796 5.23851088 5.59854145 0.00466614 -0.00805721 -0.00315891 0.00012093 -0.06045901 -0.01159567 -0.00278904 -0.00767136 -0.00097468 +H 5.54325787 4.96599091 5.81305797 0.00256485 0.01791372 -0.00459074 -0.01871138 0.00552651 -0.07605438 -0.01051390 -0.00918508 -0.01796343 +C 7.45655614 6.87986465 5.76959012 -0.00568591 -0.00201757 0.00121857 -0.01919972 0.00126252 0.02642844 0.00040306 0.00100885 0.00448752 +H 6.42158132 8.18102830 6.99421279 -0.01538455 0.00067188 -0.00867916 0.05735317 0.08330165 -0.04927664 0.02444672 -0.00356331 -0.02707165 +O 7.40934256 5.97506013 4.95062952 -0.00009437 0.00031652 0.00149106 0.00320686 0.00223394 0.00432621 0.00092126 0.00064795 0.00022789 +C 8.83925480 7.34583963 6.27711462 -0.00220306 0.00017228 0.00026325 -0.02896627 0.00660479 -0.01158684 -0.00227965 0.00072180 -0.00025158 +H 9.42232437 6.49413182 6.43224659 -0.01271106 0.00787203 0.01396024 0.03570727 -0.05229373 0.04982013 -0.00439289 0.00952529 -0.01106728 +H 9.25226006 7.99344124 5.53818910 0.00602708 0.00902563 -0.00256217 0.06547467 -0.00535633 -0.01177936 0.00293176 -0.01665911 0.00886325 +H 8.82756862 7.91093836 7.17074060 0.02022050 -0.02098520 -0.00124475 0.03421219 -0.06461711 0.11130789 -0.01416785 -0.00885407 0.00082017 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92043499 5.84580046 5.78657242 -0.00253219 0.00489651 -0.00126593 0.01126276 0.02162373 -0.01876008 0.00514016 0.00204635 -0.00328456 +C 2.28285913 6.15054725 5.85800130 0.00613707 -0.00631237 0.00255075 0.00174925 -0.03947019 0.02697695 -0.00491996 -0.00343985 0.00511338 +H 0.85884894 5.02021363 5.36583852 -0.00382800 -0.00313913 -0.03225578 -0.10094521 0.12144878 -0.12570554 -0.02371143 0.02349925 -0.01305816 +C 2.65432205 7.35828610 6.42085321 0.00002082 -0.00596165 0.00466456 0.03088096 -0.01182636 0.04173563 0.00903796 -0.00178960 0.00524833 +H 2.98543502 4.35051604 4.91483566 0.00928275 -0.03093613 -0.00019561 0.10314613 -0.08821068 0.15291308 0.00646806 -0.01536985 0.02432694 +C 4.05987979 7.69152540 6.48336031 0.00018687 0.00303174 -0.00182305 -0.03061013 0.02022975 -0.00084498 -0.00588744 0.00190673 0.00016137 +H 1.89702694 8.10683973 6.81297655 0.01084012 0.01262469 0.01529372 0.11548827 -0.07916128 0.04514550 -0.01235814 -0.00175076 0.01417939 +C 5.03159274 6.83514121 5.98910812 0.00164456 0.00846616 -0.00236551 0.00199669 0.04500217 -0.01262988 -0.00243595 0.00271465 -0.00119683 +H 4.37045921 8.59595522 7.04731771 0.01919557 -0.00737253 -0.01225623 0.03362310 0.03630182 -0.15144304 -0.01109186 0.03169484 -0.01768009 +C 4.64626959 5.55578291 5.54582061 -0.00571821 -0.00143695 0.00471782 -0.01347217 0.01094337 0.02563085 0.00221568 0.00422225 0.00168115 +N 6.28541167 7.42839432 5.99783285 0.00272425 -0.00492028 -0.00227155 0.01373482 -0.00389071 -0.00601152 -0.00120573 0.00279847 -0.00000278 +C 3.29375743 5.24831506 5.46661382 -0.00028750 0.00062657 -0.00252090 -0.02215091 -0.02615950 -0.03909606 -0.00355326 -0.00575877 -0.00596013 +H 5.37584563 4.87155266 5.17534647 -0.00414138 0.00444447 0.00433615 -0.00498325 -0.01561973 0.02034646 -0.00410093 -0.00049510 0.00817196 +C 7.52383856 6.91633316 5.87726770 -0.00275508 0.00873882 0.00102657 -0.05109232 0.02549224 -0.00861633 -0.00709132 -0.00520444 -0.00375348 +H 6.23062450 8.42426801 6.23212214 -0.01681958 0.01077594 -0.00821596 0.00143129 -0.03914743 -0.11262153 0.01712281 0.01188775 -0.01556507 +O 7.63385709 5.75385069 5.71639050 0.00631807 0.00155821 -0.00004922 0.05332308 -0.00922269 -0.00196746 0.00782678 -0.00254204 -0.00029099 +C 8.70109107 7.78319897 5.85944277 -0.00941909 -0.00893514 0.00293899 -0.02067303 -0.00997200 0.01827964 0.00109499 0.00408724 0.00118633 +H 9.18670692 7.68785377 6.86979386 -0.00174402 -0.01566017 -0.00141851 -0.01547505 -0.07914235 -0.06271575 0.00802865 -0.00520706 0.01028014 +H 9.43152904 7.53259108 5.07994906 0.00997767 -0.00157256 -0.00636088 -0.06056643 -0.08207552 0.05831464 -0.01663626 -0.02198839 0.00992980 +H 8.52227657 8.85707332 5.69589853 0.00071839 0.01800096 -0.01598390 -0.05594367 -0.08683095 -0.02460471 -0.01527965 -0.01442382 0.00665247 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99518822 5.68644735 5.65611667 0.00516246 0.00194306 0.00137880 0.03500891 0.01049840 0.00491754 0.00310826 -0.00071440 0.00202397 +C 2.32950133 6.01122296 5.70975620 -0.00156776 -0.00790058 -0.00064045 0.00837307 -0.02268704 -0.02190070 0.00431310 0.00238732 -0.00439479 +H 0.64624003 5.28003744 6.39398193 0.01724971 -0.00816774 -0.01088463 0.09843618 -0.08661004 0.02219068 0.02350266 0.00440803 -0.01783568 +C 2.94206897 6.52558790 4.51995971 0.00464784 0.00811395 -0.00592950 -0.00482449 0.02035849 0.00959480 -0.00538505 -0.00234799 0.00539056 +H 2.57922856 5.76484529 7.89461818 -0.00687404 -0.02760310 0.00066591 -0.00071517 -0.14692130 -0.10040942 -0.00622184 -0.01517459 -0.00229329 +C 4.25632819 6.84155253 4.57512446 0.00086560 -0.00050857 0.00922678 0.03269896 0.01155384 0.02663105 0.00618705 0.00322658 -0.00140987 +H 2.41585000 6.63882985 3.60618323 0.01841482 -0.01325878 0.00587181 0.02148986 -0.09016766 -0.08384767 0.00113654 -0.00939368 0.00059625 +C 5.02750026 6.84386298 5.73417522 0.00112796 -0.00656536 0.00210255 0.00892105 -0.03681188 0.02377376 0.00089371 -0.00322712 0.00469872 +H 4.71088847 7.11396792 3.63650906 0.00090866 -0.00094022 -0.00277483 0.00967694 0.00595910 0.03597066 0.00798212 0.00492419 0.00518461 +C 4.43594757 6.52542117 6.98687093 -0.01297314 0.00050569 0.00098681 -0.09645741 -0.01119290 -0.00712645 -0.01041709 -0.00294804 -0.00126520 +N 6.33915980 7.23521450 5.48856250 -0.00073644 0.00162690 -0.00152265 0.01335860 0.00019510 0.01781221 0.00381696 -0.00154314 0.00489821 +C 3.07082905 6.01930098 6.93138591 -0.00889249 0.00637904 0.00045018 -0.05715655 0.04533242 0.01128229 -0.00793447 0.00533164 -0.00060301 +H 4.96017069 6.60541609 7.90121734 -0.00377071 -0.01524331 0.00919036 -0.06684797 -0.11298597 0.00782242 -0.02371282 -0.01490691 -0.01822280 +C 7.46988795 7.00361587 6.20877789 0.00662190 -0.00058940 -0.00146448 -0.00809953 -0.00675953 0.00789552 -0.00668806 0.00001856 0.00313929 +H 6.46218085 7.76245473 4.62324096 -0.00139576 -0.03367808 0.01878774 0.05068144 -0.13388201 -0.08856472 0.01120418 -0.01263808 -0.01899096 +O 7.39947847 6.46493443 7.30984684 0.00233845 0.00166643 -0.00125151 0.02300440 0.00878755 -0.00566519 0.00395232 0.00051516 0.00031227 +C 8.78335273 7.40794347 5.68891562 0.00076578 0.00213844 -0.00082305 0.02083920 0.01472776 -0.02578186 0.00288344 0.00245685 -0.00807131 +H 8.65876894 7.95459698 4.76729089 -0.00041635 -0.00062726 0.01523930 -0.02275893 0.08053730 -0.01333491 -0.00604749 0.01390157 -0.00836423 +H 9.33311731 8.03403109 6.41576530 0.01395346 0.01143644 -0.03445355 0.12129097 0.04189733 -0.16066825 0.02397687 -0.00271384 -0.00253891 +H 9.38841656 6.52183325 5.44357925 -0.03483258 -0.01056063 -0.02908055 -0.17727619 -0.03967380 -0.14517494 -0.00451951 -0.00216165 -0.01270558 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99379053 5.96280015 5.81157682 -0.00018640 0.00325127 -0.00172396 -0.00121582 0.02247776 -0.01105190 -0.00228651 0.00131649 -0.00310232 +C 2.34777352 6.15365594 5.87737467 -0.00264028 -0.00101774 0.00153616 -0.03120191 -0.00711927 0.02316579 -0.00316920 -0.00270093 0.00301631 +H 0.73283466 5.32898937 5.18632070 -0.01091250 0.01956650 0.01658844 -0.09268426 0.00983636 -0.01626559 0.00216892 0.01239371 0.00719201 +C 2.72409746 7.07138961 6.87036413 -0.00251259 -0.00031869 -0.00150108 -0.01380875 0.00010159 -0.02130520 -0.00123911 -0.00017564 -0.00493860 +H 2.99027589 4.54698317 4.51264368 0.00943287 -0.01688819 0.00079493 0.04456049 0.04722314 0.02153636 -0.00784210 -0.00407187 -0.01790670 +C 4.07416732 7.38770695 6.86786472 -0.00194372 -0.00574458 0.00052223 -0.02002472 0.00175715 0.04845171 -0.00212667 0.00486217 0.01134864 +H 2.06683477 7.59809411 7.57333953 -0.01823862 0.00646918 0.00517449 -0.07914672 -0.03315328 -0.14009377 -0.01359353 -0.00232269 -0.02803324 +C 5.04025936 6.70680846 6.18486801 -0.00127315 0.00394554 0.00662242 0.02180574 -0.02298364 0.01474545 0.00518068 -0.00774510 -0.00076713 +H 4.35027868 8.17025079 7.52859127 -0.01317427 0.02049635 0.00568479 -0.05906578 0.04963871 -0.00297431 -0.00203371 -0.00598678 -0.00320665 +C 4.66484416 5.56806143 5.35662739 0.00462121 0.00059413 -0.00204755 0.03785179 0.05397279 0.00987983 0.00315553 0.01150118 0.00326938 +N 6.37504018 7.06132812 6.47782234 0.00329770 -0.00321818 -0.00610565 -0.00892814 -0.02569541 -0.04121552 -0.00431848 -0.00309871 -0.00340222 +C 3.29737750 5.41984685 5.14408884 0.00230436 -0.00033923 0.00200947 0.00517607 -0.03509340 0.00886438 0.00062606 -0.00461815 0.00413716 +H 5.45263324 4.97662257 4.88532643 0.01054512 0.00541335 0.00809923 -0.01414920 -0.00228458 0.01617434 -0.00753692 -0.00280248 -0.00485381 +C 7.41659250 6.97691230 5.67475753 -0.00187026 -0.00166773 -0.00334853 0.03338907 0.00627460 -0.01007912 0.00920984 0.00259423 0.00069142 +H 6.52986701 7.57368587 7.32932117 -0.02289890 -0.03421954 -0.00494249 -0.07490644 -0.14476595 0.05776716 0.00459291 -0.01244059 0.00249469 +O 7.39785102 6.41307245 4.57287433 -0.00020419 0.00019946 0.00164458 0.00640115 0.00374592 0.01059910 0.00245061 0.00072757 0.00075914 +C 8.71038068 7.76007987 6.21422769 0.00269647 0.00296847 -0.00031078 -0.01431917 -0.00411990 -0.02016019 -0.00615952 -0.00264821 -0.00421378 +H 9.52466703 7.09942310 6.63704537 0.00642178 0.05370725 0.00508971 0.08078706 0.19000660 -0.05061795 0.02362661 -0.01731649 -0.01309609 +H 9.06280000 8.38213718 5.35153032 -0.00721745 -0.01636109 0.00976296 0.03629141 -0.02547448 0.02348222 0.01464702 0.01930323 -0.01324841 +H 8.48874941 8.44794399 7.04602298 0.01377991 -0.02940986 -0.00164355 -0.02475384 -0.06427681 0.03266588 -0.02189480 0.01111533 0.00566270 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01870292 5.66700619 5.88661165 -0.00133472 -0.00262545 -0.00229651 -0.00431904 -0.00229594 -0.00770931 0.00015419 0.00079584 -0.00039907 +C 2.32993163 6.09821935 5.87829300 -0.00070831 -0.00301245 0.00461937 -0.00054128 -0.02447748 0.00460807 0.00121528 -0.00213269 -0.00236611 +H 0.78004438 4.80595259 5.52035951 0.00472875 0.01732438 0.00114352 0.07789747 -0.00857945 -0.06929205 0.01615264 -0.00582311 -0.01346661 +C 2.69791469 7.30921129 6.48398454 0.00178038 0.00340086 0.00400051 0.00464392 0.01104133 0.03576325 -0.00511859 0.00113201 0.00739268 +H 3.04089838 4.47281007 4.56553699 -0.01489447 -0.02027841 0.01042181 -0.01141262 -0.03026088 0.13152438 0.00757336 -0.00940501 0.00903706 +C 4.03277887 7.76608704 6.58663467 0.00483231 0.00652156 -0.00565374 -0.00806347 0.05320286 -0.02768799 -0.00595207 0.00903238 -0.00086642 +H 1.95051815 7.79001398 6.95843096 -0.00141128 -0.01381042 0.00030457 -0.08975204 0.07986210 0.08513116 0.02383714 0.00434533 -0.00533757 +C 5.00988018 6.99797711 6.02595435 -0.00886985 -0.00091679 0.00199042 -0.00517185 -0.02160790 -0.00312485 0.00586466 -0.00338995 -0.00224293 +H 4.26863993 8.63494699 7.09510337 -0.00537025 0.01396785 0.01528380 -0.03396520 0.07587508 0.05556844 -0.00702553 -0.01505288 -0.01742275 +C 4.62373722 5.79498406 5.32543033 -0.00680924 0.00240213 -0.00492827 -0.01786566 0.00475268 -0.03566712 0.00320420 -0.00047423 -0.00511125 +N 6.34227802 7.48843439 6.13301038 0.00762773 -0.00109012 0.00630007 -0.01679525 -0.01567288 0.03388109 -0.01047980 -0.00251055 0.00290765 +C 3.29498629 5.38286552 5.14219894 0.00461103 -0.00403185 -0.00395782 0.00228338 -0.02391459 -0.00085598 -0.00433266 -0.00117456 0.00519511 +H 5.27820968 5.03042247 4.96160004 0.00190420 -0.00841708 -0.00681463 0.08823871 0.13551197 -0.07132689 0.01592890 0.03938887 -0.01350001 +C 7.43717539 6.82421687 5.92199635 -0.00602099 -0.00694736 -0.00377388 0.01598794 0.00542623 -0.02150160 0.00943116 0.00845624 -0.00187867 +H 6.38813212 8.46973276 6.21747506 -0.00548753 0.00454888 0.00226747 0.04805522 0.00209279 0.05528457 0.01225623 -0.01941729 0.01248282 +O 7.57141572 5.65131399 5.85042204 0.00014846 0.00435854 0.00198704 -0.00243225 -0.01145715 0.01044343 -0.00062810 -0.00711793 0.00088408 +C 8.66776129 7.69930520 5.74812463 0.00545985 0.00172013 -0.00194237 0.03686135 0.01792672 -0.01356724 0.00403019 0.00107241 -0.00189723 +H 8.41619886 8.76571147 5.91079768 -0.00123928 0.00761046 -0.01337296 0.04289247 -0.01459207 -0.03143722 0.01061691 0.00374083 0.00897455 +H 9.56853589 7.46925954 6.28590315 0.01472570 -0.01212474 0.02253611 -0.07306627 -0.08365583 0.11107475 -0.03236661 -0.00533496 -0.00020576 +H 8.98709644 7.66310789 4.70392812 -0.01190670 0.00911191 0.00053341 -0.04359004 0.01351031 -0.04156011 0.00677137 -0.00641473 -0.00751589 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04163262 5.71929700 5.88398060 0.00015617 0.00121365 0.00052029 -0.00066247 0.01784072 0.00445056 -0.00060751 0.00190294 -0.00009692 +C 2.32600466 6.15093101 5.86444125 -0.00056647 0.00186497 -0.00017136 0.01745499 -0.01296184 0.00323087 0.00497976 -0.00466606 0.00141536 +H 0.99031833 4.83172473 5.54773640 -0.01434351 0.02573706 0.00576561 -0.13294705 0.01552881 -0.02755161 -0.01526880 0.00758476 -0.00249360 +C 2.69021388 7.30180670 6.55494512 -0.00465858 0.00255585 0.00333367 -0.05004265 0.01554044 0.00847196 -0.00593006 -0.00056905 -0.00239388 +H 3.11972684 4.44494031 4.82859862 0.02595122 0.01847203 -0.01885851 0.11795208 -0.03582363 -0.11568683 0.01153906 0.01032809 0.01313518 +C 3.99147309 7.70326705 6.57522152 -0.00524806 -0.00318473 0.00164714 -0.00621988 -0.01014569 0.00960498 0.00169282 -0.00133876 0.00007514 +H 1.92639449 7.99899701 7.00710968 0.00584419 -0.00742404 -0.01105118 -0.05012665 -0.06875052 0.00903425 -0.03721704 0.00582916 0.02379956 +C 5.00142550 7.00097041 5.92527362 0.00728762 -0.00456510 -0.00552172 0.01485049 -0.03676654 -0.02957065 -0.00231834 -0.00221321 -0.00069394 +H 4.27165193 8.62602903 7.11122468 -0.02768259 -0.01515385 0.00353845 -0.15618253 -0.02126924 0.05052231 -0.00423401 0.01626594 0.01298388 +C 4.66286594 5.79984074 5.25798485 0.00660916 0.00129174 -0.00190248 0.05507284 -0.01675471 0.00029174 0.00705609 -0.00527556 0.00264762 +N 6.24221892 7.49405480 5.95720940 -0.00004356 0.00363538 0.00287467 0.02523242 0.02798713 0.01610472 0.00540634 0.00534130 0.00184894 +C 3.35239307 5.32612285 5.31254015 0.01216975 -0.00121620 0.00131549 0.05151918 0.01836974 0.00009714 0.00173022 0.00230527 -0.00389478 +H 5.39600863 5.08943254 4.83078164 0.00408204 -0.02483289 0.02696438 0.04525016 -0.00608064 0.11015501 0.02395913 0.00585118 -0.00830200 +C 7.42712092 6.84848929 5.85731275 0.00074939 -0.00212922 0.00690171 -0.00304032 -0.01362316 0.05102808 -0.00157500 0.00074983 0.00727124 +H 6.26605316 8.44612567 6.09446430 -0.02881921 0.01639092 -0.00756700 -0.06256435 0.07934937 -0.04848508 0.01695213 -0.02348848 -0.00809034 +O 7.61620425 5.60438065 5.88197677 -0.00843828 0.00082535 -0.00229365 -0.06720759 0.01601712 -0.01824142 -0.01019926 0.00240735 -0.00261498 +C 8.64377058 7.72680597 5.85151920 -0.00216985 -0.00085350 -0.00366793 0.00534944 -0.02009785 -0.01969391 0.00433678 -0.00312177 -0.00318878 +H 8.81319373 8.08469153 6.86323317 0.01492718 0.00552331 -0.02999314 0.09296781 0.10130187 -0.05548398 0.00874792 0.01429741 0.00340355 +H 9.45838881 7.05111481 5.70194305 -0.01220927 -0.02687398 -0.00402875 -0.02475201 -0.07529326 -0.09106592 -0.00098381 0.01485069 -0.01901944 +H 8.74205760 8.53974839 5.18705039 -0.00457152 -0.00040973 0.00037955 -0.11515707 -0.00442977 -0.11588338 -0.02592131 -0.02579331 -0.01281746 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99690593 5.72619084 5.90380148 0.00292166 0.00389536 -0.00142929 0.02904314 0.01785210 -0.02254221 0.00427168 0.00266569 -0.00300083 +C 2.33498303 6.10665700 5.91571414 0.00223206 -0.00820060 -0.00071031 0.00242533 -0.06625772 -0.00298795 0.00102203 -0.00716706 0.00135921 +H 0.87573434 5.08164728 5.21486757 -0.01712124 -0.01657844 -0.01307684 -0.11883750 0.01524388 0.08213349 -0.02020022 -0.00806686 0.00652857 +C 2.69227510 7.25016071 6.57862343 0.00937266 -0.00192639 0.00193475 0.05758600 -0.00835557 -0.00088812 -0.00068238 0.00027752 -0.00079398 +H 3.05084758 4.41061101 4.76438873 -0.00733591 -0.01042318 -0.01440689 -0.01068616 0.01209416 -0.05602638 0.00462284 0.01132767 -0.00120265 +C 4.01188190 7.73768515 6.51855620 0.00279473 0.00536273 -0.00613670 -0.00604690 0.04716038 -0.00463170 -0.00302580 0.00711959 0.00352657 +H 2.00316092 7.80464340 7.05447783 -0.00255842 -0.00687441 -0.02540058 -0.11136309 0.04012210 -0.04610533 0.02373993 -0.01545391 -0.01269761 +C 5.01482374 6.97159093 5.93094184 -0.00193202 0.01038375 0.00642640 -0.00824399 0.04854565 0.01754753 -0.00143559 0.00093955 -0.00201409 +H 4.13890323 8.63437230 7.13083871 -0.02422202 0.01303923 0.00910793 -0.00543608 0.06306947 -0.10652372 0.02193279 0.02100882 -0.02641601 +C 4.64671432 5.75593370 5.28207808 -0.00712291 -0.00185754 0.00316181 -0.01843975 0.00854759 0.02039546 0.00126422 0.00565014 0.00359650 +N 6.29315011 7.54961230 5.89443962 -0.00311247 -0.00130438 0.00699493 -0.01764636 -0.01060161 0.04772496 0.00028891 -0.00554727 0.00649100 +C 3.31160577 5.31835947 5.26278175 -0.00039194 -0.00194723 -0.00012286 -0.01193554 -0.02243997 -0.00471475 -0.00228272 -0.00486344 -0.00168860 +H 5.40307883 5.20631566 4.72871251 0.00469366 -0.00039060 -0.00891827 -0.06233630 0.00121565 0.02418372 -0.00969482 -0.00477567 0.00935949 +C 7.44710115 6.90345919 5.89484244 0.00283489 -0.00545453 0.00090825 0.02866523 -0.08230137 0.00756626 0.00123094 -0.00765229 0.00136003 +H 6.36147829 8.59326219 5.88670828 -0.02499118 0.00209432 0.00468297 -0.12655396 -0.06097126 0.07832437 -0.00055080 0.01550393 0.01742803 +O 7.52373876 5.58030347 5.85748693 0.00118407 0.00500750 -0.00251035 0.01083722 0.07347754 -0.01491227 0.00233270 0.01013920 -0.00195699 +C 8.76177702 7.73504237 5.94619391 0.00041478 -0.00516466 -0.00396709 -0.03542509 -0.03330532 -0.03678482 -0.00915290 -0.00322753 -0.00427348 +H 8.76723121 8.40366603 6.75779008 -0.00965030 -0.00674212 -0.00003033 -0.05165035 -0.04238055 0.05158591 -0.00668904 -0.01976461 -0.01150374 +H 9.65321255 7.07511733 5.96199189 -0.01622360 0.00963900 0.01001256 0.00066775 0.02099669 0.02255145 0.01490004 -0.00498448 -0.00542685 +H 8.69714641 8.34966584 5.06263149 -0.02224283 -0.00203332 -0.01444616 -0.00387807 -0.05992299 -0.06522696 0.01874437 -0.01462070 -0.00035231 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03002867 5.78942544 5.92372229 -0.00148413 -0.00199083 0.00420548 -0.03283181 -0.03039815 0.02023598 -0.00706322 -0.00798591 0.00026053 +C 2.30367253 6.07655072 5.90131974 -0.00521517 -0.00193376 0.00061608 -0.00014581 0.00360487 0.01090278 0.00412851 0.00286170 0.00204426 +H 0.90027280 5.06852036 5.38802756 0.00561181 0.00917979 -0.01245350 -0.05195769 0.02383233 -0.08368674 -0.01590463 0.02007238 0.00766065 +C 2.67305205 7.18778913 6.65536984 -0.00676288 0.00322153 -0.00708599 -0.05456003 0.04466954 -0.03014713 -0.00339088 0.00577250 -0.00441215 +H 3.01337970 4.49714283 4.64150284 -0.00940540 -0.01386436 -0.01297582 0.01705267 0.01017852 -0.01980537 0.02000623 0.02923430 0.01759453 +C 3.97356967 7.63724385 6.76035429 -0.00351131 0.00312216 -0.00016694 -0.00537057 -0.01553117 -0.00237571 -0.00092391 -0.00711940 -0.00056917 +H 1.91267983 7.80813678 7.27249700 -0.00211811 -0.00571927 0.00592029 -0.02180673 -0.13675136 -0.05677654 -0.04477652 0.00443901 0.01285544 +C 4.98687468 6.85649316 6.09861701 -0.00473380 -0.00094614 -0.00029776 -0.02061455 0.02481657 0.01222382 0.00172873 0.00633815 0.00235191 +H 4.21448467 8.41807970 7.50753467 0.00056067 -0.02078484 0.01493501 0.00537855 -0.06953221 0.00028587 0.00469600 0.01256131 -0.00369561 +C 4.58979207 5.78387858 5.27074531 0.00358904 -0.00017431 0.00050598 0.06430006 -0.00062068 -0.00080949 0.00906871 0.00244325 0.00230942 +N 6.31088339 7.28849929 6.33370602 0.00264416 -0.00274173 0.00239247 0.01044133 -0.01406923 0.00020145 0.00072886 -0.00088868 -0.00178550 +C 3.26853270 5.32352844 5.20925053 0.01008940 0.00474537 0.00201139 0.04292343 0.02694632 0.00347224 0.00153529 0.00175958 -0.00179576 +H 5.43779705 5.32491346 4.68850659 0.03426001 0.00795350 0.00406185 -0.04327303 -0.03505009 0.07834083 -0.00143874 -0.03719572 -0.00850064 +C 7.48645268 6.97602514 5.72621678 0.00447887 0.00259773 -0.00226897 0.01052526 -0.00909499 -0.00465875 -0.00217443 -0.00501157 0.00103897 +H 6.29581797 8.08890861 6.96852610 0.01251353 -0.01343660 -0.00198703 0.16836535 -0.06791316 0.04911396 0.02615274 -0.00555165 0.01567110 +O 7.62267934 6.06283531 4.93547321 -0.00510629 0.00202526 -0.00053190 -0.03717080 0.00966024 -0.01604166 -0.00518747 0.00051396 -0.00432524 +C 8.75945111 7.60820602 6.17542206 0.00438959 -0.00496445 -0.00143957 0.01778511 -0.00981642 -0.00375174 0.00258756 -0.00102422 0.00289918 +H 9.51694958 7.47647396 5.40606744 0.01078933 -0.00547401 -0.00026988 0.08091701 -0.03219834 0.05566795 0.00782479 -0.00553366 0.01756323 +H 8.47069054 8.67803758 6.28469131 -0.00497108 0.01138346 -0.01484597 0.12407938 -0.04499859 -0.04332699 0.03036463 0.00251228 0.00162214 +H 8.98633732 7.08760508 7.04696931 -0.00706970 0.00077498 0.02288627 0.03374353 0.10287970 0.13126484 0.00773451 0.03867347 -0.01751858 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.06010063 5.75837430 5.70963911 0.00686653 -0.00068201 0.00569669 0.02736928 0.00614501 0.04419233 0.00044299 0.00291528 0.00702074 +C 2.32892997 6.16319201 5.86730787 0.00156556 0.00912021 -0.00131411 0.01470058 0.03768894 -0.01227210 0.00381704 -0.00243461 -0.00299889 +H 0.93759602 4.81463797 5.50889069 -0.01042293 0.01745037 -0.00037452 -0.02122099 0.03453109 -0.02977911 0.00706539 -0.00996029 -0.00822315 +C 2.62764409 7.50125121 6.23141123 0.00179332 -0.00027832 0.00107141 0.01147448 0.00997265 -0.00529163 -0.00024744 0.00485054 -0.00192641 +H 3.16837709 4.16781069 5.52383189 0.02572933 -0.02030171 0.02267906 0.03226445 -0.06250504 0.05191778 -0.02089605 -0.00606709 -0.01081549 +C 3.96846934 7.89358847 6.30249327 -0.00161351 0.00647199 0.00010025 -0.01912041 0.02559925 0.00955415 -0.00188581 0.00204390 0.00241570 +H 1.89652194 8.25597836 6.35195836 0.00894481 0.00988206 0.00318779 -0.02521507 0.00341046 0.05591462 -0.00455688 -0.01902065 0.00827487 +C 4.95298474 6.92338369 6.08317980 -0.00714213 0.00091173 0.00165824 -0.00390616 -0.00582740 -0.00006739 0.00405966 -0.00218761 -0.00164222 +H 4.18685106 8.87817723 6.62820341 -0.02125130 0.00088328 -0.00544195 -0.05504408 0.10705115 -0.05761547 0.00302434 0.00293981 -0.01406050 +C 4.67896338 5.60627528 5.73675111 -0.00102596 -0.00417332 -0.00786946 -0.02384410 -0.02273670 -0.04633952 -0.00418104 -0.00167000 -0.00455355 +N 6.28989605 7.27612719 6.19562032 -0.00352099 -0.00162465 0.00302146 -0.02176547 0.00949109 0.02194303 -0.00176601 0.00584323 0.00312804 +C 3.33780018 5.23558877 5.66641023 -0.00227989 -0.00881184 -0.00649818 -0.00179439 -0.06507813 -0.03685198 0.00058110 -0.00602218 -0.00321668 +H 5.45135727 4.86590988 5.57732861 0.00643281 0.00505728 0.00946774 0.01464981 -0.00161692 0.04805115 -0.00545216 -0.00523608 0.00117410 +C 7.49105841 6.79857639 5.81626333 0.00040747 0.00229606 -0.00770301 -0.03778635 0.04324230 -0.03004985 -0.00991448 0.00582147 -0.00147171 +H 6.33150617 8.13663794 6.71910033 0.00624424 -0.01120427 -0.02045565 0.09206636 0.09363781 -0.10776952 0.00897491 0.02047244 -0.01429477 +O 7.64557687 5.70718334 5.43062147 0.00525970 0.00308230 0.00483683 0.04780230 -0.01221889 0.01584655 0.00747102 -0.00479950 0.00019454 +C 8.61820260 7.79149447 5.95251262 -0.00431864 -0.00976634 0.00252239 -0.02023028 -0.04096333 0.00437804 -0.00086976 0.00064678 -0.00171304 +H 8.84572821 7.89004354 7.04944516 -0.02272904 0.00717001 -0.02801673 -0.05332135 0.01095085 -0.01859949 0.00666278 -0.00720668 0.03377130 +H 9.47670641 7.47908139 5.37077758 0.01159072 0.00029592 0.01030887 0.06021231 -0.02234881 0.11616725 -0.00009004 -0.00778789 0.02026451 +H 8.33383787 8.74662460 5.60534561 0.00222191 0.02564679 0.01434020 0.02422056 0.01711085 0.07727887 0.00715605 -0.03191483 0.00592882 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.91166459 5.85093124 5.82307280 -0.00485891 -0.00455804 0.00724343 -0.00745890 -0.03918439 0.03993099 0.00259944 -0.00569988 0.00449234 +C 2.29502421 5.90816054 5.77045603 0.00138927 0.00077981 -0.00592687 0.00157097 0.02929037 -0.04521499 -0.00152488 0.00723537 -0.00498902 +H 0.64232024 6.23236711 6.66455659 0.00121379 0.01847538 -0.02470554 -0.08835193 0.16401763 -0.09476773 -0.01693247 0.01666105 -0.01614837 +C 3.06643959 5.56490693 4.61404186 0.00234723 -0.00160886 0.00208717 -0.00176348 -0.03738557 -0.00177390 -0.00259380 -0.00658270 -0.00080351 +H 2.52073514 7.09502802 7.65322644 -0.00762838 0.00112739 -0.00110766 -0.11734154 -0.08314955 -0.08536724 -0.02585290 -0.01373266 -0.00568387 +C 4.48170079 5.73439670 4.54663962 -0.00635671 -0.00748355 0.00160732 -0.04218966 -0.01155087 0.01890697 -0.00340424 0.00461089 0.00372566 +H 2.59559686 5.03373812 3.75509987 0.00208418 0.02226639 -0.03259110 0.01911891 0.23741306 -0.04498181 -0.01294377 0.02174262 -0.00769224 +C 5.10624187 6.44687521 5.62343184 -0.00087300 0.00426319 -0.00170164 0.00438220 0.01447751 -0.03130719 0.00102137 0.00006139 -0.00501507 +H 4.95542310 5.51402656 3.59570422 -0.00281796 0.03160589 -0.01848905 -0.00858656 0.11113454 0.04143929 0.00077095 -0.00521554 0.01935798 +C 4.35843813 6.90942759 6.69371730 0.00029553 0.00151984 -0.00271949 -0.00622796 -0.00313609 0.00356940 -0.00149511 -0.00333150 -0.00047122 +N 6.46508737 6.72317797 5.51432379 0.00202595 0.00022342 0.00321859 0.02888146 -0.00154716 0.01378066 0.00537992 -0.00184897 -0.00140934 +C 2.96805570 6.65343580 6.75185980 -0.00064543 0.00164377 -0.00487513 0.00429680 0.01689447 -0.01446848 0.00087055 0.00176420 -0.00108512 +H 4.82283060 7.30638573 7.63450930 0.02781226 -0.00763297 -0.00182800 0.08173745 0.03315130 -0.16504369 0.00446499 0.02978255 -0.00716623 +C 7.41198759 7.30098122 6.30345281 -0.00035121 0.00383010 -0.00474210 -0.00928448 0.03622949 -0.00158538 -0.00091332 0.00638935 0.00441987 +H 6.90469024 6.44714766 4.68075712 0.01323956 -0.02272785 0.01733387 0.02448854 -0.16521468 0.04349705 -0.01139178 -0.01278374 0.01352260 +O 7.20409400 7.66917209 7.49804842 0.00324620 0.00013136 0.00630664 0.03214807 -0.00651611 0.00936278 0.00557495 -0.00172654 -0.00347955 +C 8.78436498 7.53360494 5.58196630 0.00007131 0.00103282 -0.00247781 0.00354815 0.00208747 0.01870016 -0.00034729 -0.00192110 0.00577924 +H 9.61038179 6.97789140 5.99937611 0.00165420 -0.03312409 -0.00288835 -0.14246670 -0.20240913 -0.03797209 -0.03698474 -0.01784930 -0.00931575 +H 8.78625644 7.31802312 4.51633012 0.00152185 0.01726616 0.01459130 -0.03851873 0.13370383 -0.03567385 -0.01176973 0.02083450 -0.00753650 +H 9.13432942 8.56664992 5.78516339 0.00949312 -0.00749055 0.01329398 0.02087678 -0.04071408 0.03858014 0.00606976 0.00610856 0.00557267 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02144107 5.68780393 5.92770749 0.00005646 0.00244199 0.00372786 0.00531482 0.00020063 0.01617329 0.00072588 0.00047097 0.00209175 +C 2.29253253 6.14113481 5.86430302 -0.00111036 -0.00763699 -0.00510557 0.00452871 0.00514923 -0.00997887 0.00148471 0.00781489 0.00226166 +H 1.15118790 4.80353698 5.54218764 -0.00817204 -0.01158176 -0.00185466 -0.23127372 0.01761310 0.06131151 -0.04729409 -0.02000313 0.00226605 +C 2.60135063 7.43725653 6.39304250 -0.00052670 0.00462040 0.00614390 0.02432450 -0.02256231 0.02389923 0.00980817 -0.01090238 -0.00066550 +H 3.15339666 4.39669468 5.07376528 -0.00259592 -0.00252936 -0.00679051 -0.08051881 -0.11018101 -0.13468017 -0.00903431 0.02551123 -0.01047410 +C 3.96653638 7.81292417 6.37617360 0.00856208 -0.00152089 -0.00159938 0.03292037 -0.01226450 -0.01133788 -0.00126656 0.00217115 0.00031360 +H 1.79089248 8.03535128 6.92831857 0.02545959 -0.00759491 0.00022571 0.11004492 0.06177676 -0.05244475 -0.01322632 0.03208061 -0.00207337 +C 5.02520065 6.92518099 5.96387085 -0.00130124 0.00327943 -0.00163322 -0.03182559 0.02937416 -0.01845239 -0.00412200 0.00233813 -0.00470324 +H 4.19103746 8.79833522 6.65976339 -0.00480390 -0.01260245 -0.00930739 0.04405604 0.03841698 0.04990086 0.01121407 -0.00885617 0.01102024 +C 4.69833147 5.66312363 5.44613884 -0.00404153 -0.00497722 -0.00141066 -0.03104590 -0.00866162 -0.00162399 -0.00422274 0.00198427 0.00036418 +N 6.26509923 7.48076845 6.00819861 -0.00038649 0.00064711 -0.00334811 0.02353129 -0.00494508 -0.02108325 0.00611383 -0.00272936 -0.00249796 +C 3.34660092 5.33763539 5.36460471 -0.00567522 -0.00037808 -0.00527286 -0.04440925 -0.02793806 -0.03223079 -0.00668657 -0.01139918 -0.00549650 +H 5.44399582 4.97473147 5.13332291 -0.00191029 0.00299462 0.00200669 -0.01615768 -0.03716317 -0.03665895 -0.01444207 0.00062415 -0.00516642 +C 7.44600551 6.84108513 5.86954470 0.00192811 -0.00843688 0.00696239 0.02108019 0.00271080 0.06086620 0.00232415 0.00872870 0.00898961 +H 6.28656600 8.47345962 6.25091051 0.01681765 0.00302473 -0.00794197 0.11915844 -0.02020603 -0.08365793 0.01227899 0.00494393 -0.01241246 +O 7.59626190 5.64857081 5.71522567 0.00150573 0.00796611 0.00239006 0.01128115 0.02693666 0.01351217 0.00187239 -0.00087356 0.00162525 +C 8.74066750 7.70883959 6.00063052 -0.00215010 0.00159982 -0.00509596 -0.04155050 -0.00674798 -0.02758281 -0.00476105 -0.00276798 0.00034362 +H 9.25002704 7.28873590 5.12568847 -0.00862325 -0.00649474 0.01814644 0.12300112 0.08730794 0.01383510 0.03242496 0.02933551 -0.00652810 +H 8.48957232 8.77687239 5.90782338 0.01980753 0.00923689 0.02970536 0.15488312 0.01448976 0.13115024 0.01171113 -0.00293472 0.00118156 +H 9.28107447 7.44200490 6.85078213 -0.00398863 0.01162814 0.00877615 -0.02742885 0.07376978 0.06895307 -0.02115447 0.00783279 -0.01886927 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.93431465 5.79384143 5.81613627 -0.00128042 -0.00527557 -0.00274160 -0.00562414 -0.04663466 -0.01582978 0.00000459 -0.00618465 -0.00179102 +C 2.26734044 6.11279249 5.92130392 -0.00030574 0.00216839 -0.00539348 -0.01289692 0.00557878 -0.04583271 -0.00184058 0.00143474 -0.00619834 +H 0.73543889 4.88522837 5.71314720 -0.00906614 -0.02836609 0.01169344 0.01347144 -0.03182483 0.08000732 0.00849542 -0.00608081 0.00982280 +C 2.56283428 7.42571593 6.26569353 0.00530205 -0.00029446 0.00272120 0.06737657 0.01515395 0.01711710 0.01020817 0.00219548 0.00076855 +H 2.91800201 4.21272584 5.39282841 0.00656441 0.00922579 -0.00093765 0.12253317 -0.05799460 -0.09399965 0.03501006 0.02431429 -0.01085873 +C 3.95243847 7.82067472 6.29574595 0.00287759 0.00936203 0.00194094 0.00757673 0.05099350 -0.00888750 0.00062135 0.00637368 -0.00290488 +H 1.81700329 8.19041091 6.48913455 0.00189122 0.00024341 -0.00583085 0.00373514 -0.06494312 -0.03366806 -0.00141673 -0.00840475 0.00156923 +C 4.99877536 6.93390490 5.89808086 -0.00547481 0.00127008 0.00352515 -0.02207186 0.01959869 0.05100617 0.00123018 0.00277051 0.00947363 +H 4.23340074 8.84607332 6.41013190 0.00851408 0.00863611 0.00136534 -0.01602982 0.05692113 0.12915994 -0.01384082 -0.00372323 0.02779101 +C 4.63451573 5.59739039 5.53399895 0.00555496 0.00113694 -0.00273016 0.04017338 0.01158028 -0.00740004 0.00304799 0.00376228 0.00163023 +N 6.31222208 7.46969148 6.13183785 0.00207615 -0.00694535 0.00141090 0.00074688 -0.05382399 -0.00744057 -0.00216772 -0.00854502 -0.00301678 +C 3.26794809 5.16630438 5.54155886 0.00254746 0.00371168 0.00355128 0.02458992 0.04987941 0.03403299 0.00449116 0.00457257 0.00362369 +H 5.46761794 4.92859987 5.34584999 0.01720766 -0.00819864 -0.00309171 -0.04861999 -0.04623316 -0.04733015 -0.01717297 -0.00713059 -0.01136984 +C 7.52185248 6.87386197 5.94218041 -0.00463072 0.00196995 -0.00432894 -0.00882268 -0.00447291 -0.04623371 0.00155173 -0.00375429 -0.00850064 +H 6.36044455 8.49219889 6.30998648 0.01700608 -0.01323434 0.03089233 0.07521034 -0.16450380 0.20754493 0.00234528 -0.00807618 0.03045214 +O 7.72916110 5.66522997 5.70089569 -0.00500476 -0.00209980 0.00477949 -0.04643333 -0.00101341 0.03661853 -0.00774161 0.00114934 0.00523857 +C 8.79964406 7.75511339 5.91376513 -0.00081298 0.00010180 -0.00887319 -0.03082953 0.00008313 -0.04273366 -0.00760658 0.00346418 0.00037389 +H 9.43169464 7.50498276 5.00748089 -0.01307714 0.01550466 0.01606119 0.01260852 0.01418265 0.02022333 0.02248821 -0.01159120 -0.02288852 +H 8.70464143 8.77471255 5.86595370 0.00420171 0.00775362 0.01109631 -0.09518492 0.09610958 0.07608770 -0.02240345 -0.02756744 0.00615611 +H 9.30231041 7.52534825 6.80466665 -0.02260084 -0.00946982 0.00103831 -0.02750602 -0.06573747 0.01845654 -0.00003503 -0.00115341 -0.02281303 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92628759 5.74233978 5.91089737 -0.00377925 -0.00187034 -0.00194515 -0.02237125 -0.01002370 -0.01309134 -0.00292432 0.00028697 -0.00033531 +C 2.24358605 6.11576240 5.87948016 -0.00710422 0.00236326 -0.00388668 -0.01995806 0.03017289 -0.03121933 0.00197202 0.00245943 -0.00666386 +H 0.40833014 6.19561525 6.51061002 0.01514909 -0.01403127 0.02562068 0.08765436 -0.08918702 0.14183673 0.01948264 -0.02494018 -0.00446345 +C 2.66140464 7.44189582 6.32392871 -0.00014825 0.00096719 -0.00150332 -0.00186655 -0.03888036 -0.01823288 -0.00202308 -0.00656648 -0.00144414 +H 2.98290402 4.24520902 4.91091189 0.00126785 -0.00534104 0.01116652 -0.01222729 0.01149669 0.12348318 -0.00978998 -0.02004009 0.00911093 +C 4.01221739 7.74031279 6.45702586 0.00563720 -0.00218866 0.00171162 0.02042450 -0.00278705 0.00089103 -0.00254433 0.00241635 -0.00089688 +H 1.98280937 8.21880028 6.53138060 0.02095409 -0.02640775 0.00065609 -0.08426491 -0.02903594 0.10957740 -0.01169303 -0.01429700 0.01628931 +C 5.01170548 6.83944538 6.04051031 -0.00474279 0.00643217 -0.00127389 -0.01090824 0.03822569 -0.02430102 0.00257536 0.00188551 -0.00632248 +H 4.30067580 8.74574086 6.71542017 -0.01261299 -0.00264419 0.00695108 -0.06089365 -0.01240214 0.12950732 -0.00119943 -0.00643555 0.02513750 +C 4.61538348 5.62093416 5.42052336 -0.01396733 -0.00194040 0.00018848 -0.06202938 -0.01619517 0.01921272 -0.00102143 0.00121724 0.00652691 +N 6.31234358 7.39219497 6.14414607 0.00554530 0.00158529 0.00475470 0.02474863 -0.00496146 0.03422926 0.00219989 -0.00323524 0.00487678 +C 3.23042390 5.24241420 5.36745896 0.00309487 -0.00260699 -0.00375379 0.00196413 -0.00705268 -0.01727706 -0.00561834 0.00344532 0.00063609 +H 5.32417276 4.85947023 5.07797130 0.01243458 -0.01783280 0.02782773 -0.01391282 0.05547613 0.16611496 -0.00410734 0.01134719 0.00941835 +C 7.52022083 6.87410284 5.84321249 0.01103985 -0.00200357 0.00397081 0.06592718 -0.01401413 0.02688480 0.00449870 -0.00034381 0.00411362 +H 6.30031962 8.28906250 6.54620888 -0.01875822 0.01303900 0.02756410 0.00691746 -0.02850953 0.09194021 0.02261789 -0.02313214 -0.00345635 +O 7.76578014 5.73299163 5.40751699 -0.00263994 -0.00268492 -0.00041616 -0.02554628 -0.00958562 0.00036079 -0.00388035 -0.00030583 0.00046167 +C 8.71420723 7.77951313 6.10527721 0.00658074 0.00852001 -0.00225696 0.04361596 0.04630546 -0.02421490 0.00644113 0.00493615 -0.00559972 +H 9.64927179 7.38390775 5.71755815 -0.02498227 -0.00071144 -0.01295153 -0.06149051 -0.08234858 -0.17203494 0.00160753 -0.01028820 -0.02567406 +H 8.62158076 8.74180460 5.65668245 0.01395084 -0.00551730 -0.00137164 0.02527939 0.10074747 -0.04412213 -0.00416914 0.00987910 -0.00075914 +H 8.93013782 7.86964256 7.17659756 0.01277764 -0.00399217 -0.03298399 0.08667999 0.02766763 -0.00656444 0.01368537 0.01056298 0.01961600 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.09689706 5.60740025 5.91929140 0.00318869 0.00429992 -0.00357442 -0.00174446 0.02682754 -0.01495213 -0.00515292 0.00091383 -0.00294347 +C 2.36513069 6.05278561 5.96624115 -0.00799581 -0.00268380 0.00405545 -0.03715178 -0.01845316 0.01104886 0.00164303 -0.00092802 -0.00185873 +H 0.84525832 5.09700206 5.20082494 0.02666885 -0.00889189 0.01560557 0.17362902 -0.10961729 -0.00099074 0.02586552 0.00603880 0.02065334 +C 2.82191550 6.60520672 7.14111107 0.00541666 0.00035073 0.00719780 0.04278188 0.00147452 0.02513847 -0.00076899 -0.00119631 0.00471111 +H 2.74242977 5.60125635 3.90738461 0.01036612 -0.00138977 -0.01534956 0.04275673 -0.05182213 -0.09467522 0.00237177 -0.00767957 0.00050864 +C 4.14238786 7.08014017 7.17370731 -0.00026599 0.00478691 0.00193329 -0.01582087 0.04200941 0.02791912 0.00051866 0.00880862 0.00844865 +H 2.19096227 6.82829017 7.89790227 0.02503931 -0.02920958 -0.00978620 -0.00784888 -0.19662247 0.21886707 0.02352808 -0.02895474 0.00590378 +C 4.96111046 7.01350452 6.07748464 -0.00181545 0.00079792 0.00404360 0.01247104 -0.01894608 -0.01169611 0.00296497 -0.00559463 -0.00569313 +H 4.40953748 7.60200325 8.00444058 -0.00906536 -0.01743286 0.00547414 0.06484483 -0.05432302 0.18718440 0.00901462 -0.01996126 -0.00428642 +C 4.49987143 6.39185339 4.87177653 -0.00520600 -0.00405714 -0.00177898 -0.03611696 -0.00821378 0.00726818 -0.00556744 0.00139440 0.00423879 +N 6.28907043 7.43824152 6.21425777 -0.00003727 0.00255489 -0.00575774 -0.00503359 0.00028132 -0.04527651 -0.00054374 -0.00168680 -0.00618442 +C 3.14860186 5.96102644 4.82689638 -0.00682727 -0.00280202 -0.00769834 -0.02735501 -0.01604783 -0.05074140 -0.00224536 -0.00181587 -0.00508714 +H 5.17716464 6.37227573 3.99518961 0.00176491 0.00232047 0.00276164 -0.07070040 -0.05117708 0.03477647 -0.00790089 -0.01587762 -0.00834552 +C 7.41180451 6.88427856 5.73419998 -0.00117577 -0.00702429 -0.00146537 0.02310881 -0.00161608 -0.00463008 0.00698331 0.00840695 0.00095676 +H 6.51051049 8.17081680 6.88233211 -0.00228537 -0.01514673 -0.01890267 -0.05889430 0.03319760 -0.03204125 -0.01443763 0.01347361 -0.00115216 +O 7.54844243 5.89017550 5.01604141 0.00369273 0.00598524 0.00369750 0.01449984 0.02876516 0.01978185 0.00071149 0.00102161 0.00112654 +C 8.69287680 7.68370364 6.09315861 0.00271727 -0.00226450 -0.00070752 0.02618122 -0.00692301 0.01284104 0.00265365 -0.00271608 0.00650165 +H 8.61023147 8.38271186 6.91854797 0.00199569 0.01974943 0.00710220 -0.10259541 0.05119856 -0.08408083 -0.02491661 -0.00356767 -0.02342243 +H 9.42939076 7.04775718 6.55031501 -0.01034012 -0.00772981 0.01483586 -0.05775458 -0.11972358 0.02908954 -0.00955122 -0.01178421 -0.00710600 +H 9.22484109 8.23994667 5.25845011 0.02770194 0.01264905 0.00982534 0.02586813 -0.06904892 0.09003562 0.00041535 -0.01473957 -0.01356252 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.91585544 5.79460358 5.63955206 0.00160279 -0.00868984 -0.00009967 0.02317411 -0.04332736 0.00098548 0.00660099 -0.00604110 -0.00051716 +C 2.23233719 6.14288411 5.76961830 0.00363670 0.00867222 -0.00383139 0.04844653 0.04422316 -0.00351663 0.00712021 0.00239939 0.00261671 +H 0.69421160 4.93077613 5.35479921 0.03819319 0.00702001 -0.00024246 0.25887573 -0.10286853 -0.03750476 0.03212081 0.00738320 0.00440280 +C 2.62279101 7.49631459 6.03102234 -0.00207464 0.00597910 0.00201367 -0.00704763 0.03540594 0.01011978 -0.00080764 0.00684936 0.00096673 +H 2.98990158 4.10314290 5.76057555 0.00714035 0.02381832 0.02024718 0.07043190 0.02175963 0.10919839 0.00927026 -0.01718808 0.00748714 +C 3.96121100 7.87082717 6.28555607 0.00265526 0.00727645 0.00799220 0.02312957 0.02398549 0.02900076 0.00214581 0.00054060 -0.00025961 +H 1.92417197 8.27098774 6.00291949 -0.00053342 -0.00667072 -0.01051167 -0.12363951 0.02445145 -0.01776424 -0.00452778 -0.01027039 0.00793930 +C 5.01915733 6.92282754 6.08707500 -0.00038514 -0.00651247 -0.00195052 -0.02255211 -0.01903526 -0.00518606 -0.00306917 0.00264212 0.00064803 +H 4.20665992 8.89544611 6.45360356 -0.00140501 0.01103266 -0.01061264 -0.01072046 0.06895925 -0.02627508 -0.00015211 -0.00704785 0.00389195 +C 4.61724886 5.55806526 5.84016316 -0.00097997 -0.00108787 -0.00526941 0.01649216 0.00907261 -0.01560458 0.00754342 -0.00042412 0.00062256 +N 6.32494993 7.44698913 6.13360334 -0.00130820 -0.00490077 -0.00384858 0.01830232 -0.05040919 -0.03022447 0.00250640 -0.00822249 -0.00455367 +C 3.27366547 5.16326969 5.84650915 0.01037637 0.00098576 0.00319121 0.02658461 0.03517730 0.00321308 -0.00233818 0.00889599 -0.00188353 +H 5.33656164 4.81896469 5.78148392 -0.01959390 0.00093744 0.00857718 0.03697121 -0.10026247 0.00486971 0.00024885 0.00823307 -0.00546956 +C 7.56268419 6.85237902 5.89999677 0.00108267 0.00346485 -0.00546556 -0.04449108 -0.00107177 -0.03399449 -0.01121609 -0.00463555 -0.00373035 +H 6.48051152 8.41127559 6.42702256 0.00979041 -0.01224769 -0.00417808 -0.06230598 -0.03530183 -0.07862391 -0.02072101 0.00527250 -0.01643401 +O 7.73429720 5.62227306 5.82421209 -0.00667427 0.00302942 0.00161014 -0.04730436 0.02908703 0.00891862 -0.00667902 0.00416938 0.00072332 +C 8.73427019 7.77011002 5.66951457 -0.00836372 -0.00637755 0.00390960 -0.03249585 -0.04070032 0.04331511 -0.00115009 -0.00481257 0.00410732 +H 8.47195692 8.83910299 5.68008325 -0.01665944 -0.00388910 0.01133346 -0.07553814 -0.07677829 0.04896528 -0.00685404 -0.00757041 0.00123876 +H 9.43089203 7.50714846 6.50328536 0.01176554 0.00069065 0.00986992 -0.01707658 0.09793088 -0.02696530 0.00074529 0.01497105 0.00575472 +H 9.24547592 7.48649215 4.79627026 -0.00089386 -0.01050896 -0.00200591 -0.04444585 -0.00873384 -0.03896285 -0.02260940 0.01368658 0.01439968 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95204704 5.83385018 5.83093514 -0.00646302 -0.00087451 -0.00500979 -0.02985234 -0.00790401 -0.03824231 -0.00130918 -0.00140479 -0.00746651 +C 2.34619966 6.00760015 5.72444749 -0.00544563 0.00076674 0.00282592 -0.05313939 -0.00660232 0.01693786 -0.00664076 -0.00205119 0.00140882 +H 0.47131125 5.96254274 6.67366500 -0.00113599 -0.02276109 0.01337751 0.13016215 -0.13540070 0.00150696 0.01459161 -0.01389838 0.02163220 +C 3.13573634 5.37229648 4.72751334 -0.00233036 -0.00324795 -0.00012575 -0.04272841 -0.01022944 -0.00678045 -0.00951204 0.00141215 -0.00095863 +H 2.47830289 7.20893735 7.51451526 -0.00460584 0.00209057 0.01401234 -0.05282378 0.08147367 -0.03620997 -0.00481271 0.01946611 -0.02299145 +C 4.51556252 5.55709858 4.66366308 0.00399937 0.00796936 0.00081587 0.00519873 0.05247824 -0.00155225 -0.00383757 0.00325549 -0.00284631 +H 2.68213859 4.89017023 3.90942434 -0.03934144 -0.00398311 -0.00784689 -0.17108006 -0.04890876 0.07571764 0.00411041 -0.00690364 0.03157419 +C 5.12127228 6.38135035 5.63727041 0.00203044 -0.01107307 0.00514720 0.02564670 -0.05748627 0.04122842 0.00639744 -0.00314167 0.00640761 +H 4.99574315 5.31950294 3.74201561 -0.00370706 -0.02596852 0.01327238 0.08014243 -0.23020971 0.11485233 0.01475444 -0.02107274 0.03158777 +C 4.35534468 6.95821517 6.64243362 0.00188981 -0.00135113 -0.00251646 0.00076526 0.01165694 -0.00525672 -0.00022128 0.00473690 0.00229496 +N 6.41239126 6.76412016 5.49423120 0.00432248 0.00080866 -0.00347350 0.05142801 0.00194068 -0.01561195 0.00940210 -0.00139000 -0.00191781 +C 2.97416594 6.81756729 6.65524862 0.00205370 0.00557553 0.00007917 0.00192321 0.02117407 0.02258690 -0.00350859 -0.00019196 0.00498500 +H 4.68922435 7.70383643 7.31069582 -0.00844839 0.00450017 0.00869477 0.08120016 -0.06101113 0.06979348 0.02180736 -0.02812855 -0.00138635 +C 7.35120808 7.33431499 6.28910925 0.00544024 -0.00333050 0.00511374 0.03759983 -0.00711022 0.03360925 0.00478790 0.00023245 0.00119239 +H 6.81109072 6.52935517 4.62108832 -0.01618214 0.01460462 0.00003912 -0.04714775 0.05498736 -0.11973967 -0.00187883 0.00920207 -0.00247115 +O 7.19577969 7.78791027 7.45820742 -0.00147351 0.00224878 0.00036147 -0.01168386 0.00383443 -0.01416734 -0.00165278 -0.00079276 -0.00315327 +C 8.74284340 7.46962937 5.62689369 0.00229520 0.00322925 -0.00438959 0.00513360 0.02620619 -0.02165676 0.00053983 0.00522941 -0.00023973 +H 9.52744873 7.57538669 6.36999379 0.00415433 -0.01852044 -0.01009810 0.04178750 -0.18858080 -0.03734264 0.00023459 -0.02604783 -0.00448041 +H 8.85319437 6.59297846 4.94145967 0.00827373 0.01903166 -0.00315877 0.13084877 0.10046692 -0.03545677 0.02043189 0.00069267 -0.01899591 +H 8.85218941 8.35777094 5.02323803 0.00854088 0.01537451 0.01093792 -0.01491129 0.10629935 0.07294187 -0.00994764 0.00790588 0.01484126 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95422647 5.72884218 5.81016064 -0.00162434 0.00335638 0.00461661 0.00334222 0.02733596 0.05438081 0.00014736 0.00379865 0.00781410 +C 2.31135947 6.06830698 5.95609863 0.00067595 -0.00696020 -0.00265824 -0.01783091 -0.06464638 -0.02008941 -0.00284179 -0.01008927 -0.00408098 +H 0.47757576 5.65860491 5.00722598 0.00113351 -0.00648958 0.03255870 0.05178727 -0.02387466 -0.01466588 0.03163872 0.00321432 0.00588597 +C 2.88872544 6.07828971 7.22474455 0.00003168 -0.00169529 -0.00796880 0.02393611 0.01282339 -0.04443481 0.00847202 0.00515276 -0.00547190 +H 2.71533300 6.03829582 3.87217529 -0.03297129 0.00831851 -0.00845284 -0.11962228 0.09269525 0.01591320 -0.00471747 0.01553672 -0.01402986 +C 4.28588904 6.41292523 7.37596209 0.00390003 0.00481691 -0.00316399 0.00092816 0.01069312 -0.01765801 -0.00274229 -0.00164142 -0.00490781 +H 2.12416626 5.91609665 8.05184745 0.02390094 0.00791122 -0.00886275 0.23323618 0.03528780 0.03745805 0.01359314 -0.00305241 0.03695011 +C 5.09079435 6.53573422 6.20975255 0.00269551 0.00376578 -0.00089388 0.05803575 0.02486033 0.01266544 0.00832909 0.00236104 0.00309824 +H 4.69778834 6.44721000 8.40087331 -0.00136708 -0.01198788 0.01752488 -0.03017616 -0.04909258 -0.06926664 0.00269515 0.00041376 -0.00818128 +C 4.53054027 6.49800981 4.93909311 -0.00542454 -0.00450950 0.00090130 -0.05651500 -0.05008107 0.01927617 -0.00612939 -0.00799918 0.00341547 +N 6.52579334 6.58362086 6.39032277 0.00666272 -0.00138054 0.00036412 0.00160230 0.00677804 0.00568870 -0.00491660 0.00274987 0.00232264 +C 3.14066847 6.19225420 4.87201648 -0.00298089 -0.00034974 -0.00513438 -0.02705126 0.00477855 -0.07495582 -0.00701116 0.00096962 -0.01103594 +H 5.13890224 6.44127634 4.03597882 -0.01775456 0.00343792 0.02568490 -0.04198311 0.09025343 0.00560851 -0.00211318 0.01734467 -0.01488081 +C 7.40250496 7.25596628 5.59957981 -0.00164010 0.00137761 0.00565061 0.00929512 0.00054134 0.04309199 0.00330286 0.00019978 0.00321757 +H 6.83365402 6.38620771 7.31525735 -0.02166160 -0.01226225 0.01606788 -0.05225723 -0.10278131 -0.00237179 0.00929115 -0.01338336 -0.02085762 +O 7.11203601 7.79972317 4.54134603 0.00012477 0.00241617 -0.00358466 0.00838544 0.01274584 -0.01390064 0.00273009 0.00038312 0.00145528 +C 8.85488256 7.29982843 6.18545031 0.00165879 0.00022135 0.00660685 -0.01564035 -0.00570545 0.03018752 -0.00377860 0.00136358 -0.00070476 +H 8.91993083 6.70008475 7.14640298 -0.00276492 -0.00624441 -0.00399193 0.00712018 0.01335744 -0.03569875 0.00516990 -0.00174540 0.02205854 +H 9.57674238 6.94170019 5.48745351 0.00499085 -0.01047850 0.01033468 0.01742831 -0.06804338 0.04252999 -0.01373808 -0.00261171 0.01064326 +H 9.05517137 8.31449580 6.42023350 -0.00937745 -0.00492733 -0.02293804 0.02207047 0.07703876 -0.08243427 0.00941844 -0.00492102 -0.00073491 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98212900 5.83065762 5.95306648 0.00076864 0.00335949 -0.00183226 -0.01897655 0.01482390 -0.01683184 -0.00409506 0.00118582 -0.00284671 +C 2.25578529 6.07770703 5.85309402 -0.00050922 0.00115736 0.00442378 0.04871906 0.04224796 0.04455820 0.01070997 0.00412804 0.00655130 +H 0.77920869 4.88937496 6.07240043 0.00736460 0.01808132 0.00013902 0.02162293 0.00731121 -0.00205048 -0.00244354 -0.01489941 -0.00130444 +C 2.64603729 7.46790700 6.11302143 -0.00000351 -0.00879272 0.00537057 -0.02624188 -0.07299924 0.03479314 -0.00630885 -0.00491072 0.00589051 +H 3.03820692 4.12384771 5.31887872 0.02833200 0.01970808 0.01937844 0.10782870 -0.06979336 0.13350681 0.00172949 -0.01906007 0.01339310 +C 3.96614282 7.82821269 6.25387431 -0.00421084 0.00358613 -0.00303223 -0.01112149 0.01809770 -0.02537336 0.00088581 0.00019522 -0.00445811 +H 1.93924161 8.22555392 6.23504691 -0.01463739 -0.01061393 0.00748641 -0.12203443 -0.11440673 0.06571958 -0.00154802 -0.03564491 0.00735738 +C 4.98110096 6.88405911 6.03372532 0.00239998 0.00567736 0.00151176 0.01684196 0.01387848 0.00714734 0.00143641 -0.00244236 0.00002876 +H 4.15599851 8.87470758 6.49880920 0.00385964 -0.00364326 -0.02409522 0.05520593 0.02043589 -0.12307515 0.00569167 0.01171970 -0.00811592 +C 4.61511939 5.55224974 5.65918495 -0.00236748 -0.00393697 0.00338636 0.02432307 -0.01162772 0.02037909 0.00875762 0.00508995 0.00291167 +N 6.30380611 7.30030407 6.28944745 0.00107824 0.00053439 -0.00317971 0.01588460 0.00745827 -0.02525642 0.00193568 -0.00060352 -0.00548367 +C 3.26825678 5.12148666 5.68187431 0.01032249 0.00093208 -0.00708871 0.05206070 0.02741928 -0.05802510 0.00285715 0.00528181 -0.00793305 +H 5.36447597 4.78422103 5.35835155 0.02167117 0.00543830 -0.02837261 0.03342455 0.15134031 -0.03864061 0.01180371 0.00457161 0.00911290 +C 7.52236769 6.87391193 5.79283998 -0.00053776 -0.00467428 -0.00110304 -0.01517613 -0.00300221 0.01115827 -0.00331505 0.00337456 0.00331841 +H 6.37291765 8.11643571 6.93069044 -0.01276830 0.01021433 0.01883843 -0.04403742 -0.07988275 -0.03386982 0.00698172 0.00619855 0.00173307 +O 7.71272524 5.93156253 5.00466035 -0.00511419 -0.00097110 0.00271332 -0.04020255 -0.00397686 0.02254482 -0.00615116 -0.00038599 0.00352600 +C 8.73595443 7.73671030 6.29209916 -0.00202215 -0.00063027 -0.00104593 -0.03514207 -0.02824484 -0.00443408 -0.00607762 -0.00642262 -0.00067148 +H 8.51405925 8.56433965 6.93293835 -0.01318017 0.02332957 0.00964195 -0.06871755 0.03542466 -0.09172805 -0.00333203 -0.02142733 -0.03051474 +H 9.31554123 7.06671069 6.92127091 -0.00811252 -0.01597742 -0.02010457 -0.00237754 -0.08945761 -0.08811385 0.00161316 -0.00203789 0.00011509 +H 9.30856068 7.96430288 5.39120730 0.00486099 -0.01225906 0.01842178 0.09106105 0.03279231 0.07863776 0.00864270 0.01510670 0.00646138 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96636753 5.61307189 5.81141452 0.00601663 0.00128500 0.00252108 0.05201005 0.01171902 0.02363209 0.00684563 0.00100863 0.00586133 +C 2.30265354 6.00712622 5.78166923 -0.00260406 0.00784921 0.00026233 -0.01442142 0.05851184 -0.00366784 -0.00008130 0.00787722 -0.00298819 +H 0.77414290 5.18416159 6.59177647 0.00786155 0.00488159 0.00326903 0.01416540 0.03895498 0.06091400 0.00487950 0.02016377 -0.01179127 +C 2.94574110 6.00414087 4.53566181 -0.00290367 -0.00323357 -0.00516858 -0.02881346 -0.03870436 -0.01318240 -0.00668507 -0.00738839 0.00108029 +H 2.66524090 6.28951166 7.95913787 -0.01962025 -0.00375543 -0.02273418 -0.15780596 0.05084235 -0.09882206 -0.01662751 0.01640219 -0.00229270 +C 4.31304383 6.23075395 4.41618688 -0.00309778 0.00236014 -0.00158600 -0.02986355 0.02319375 -0.01583817 -0.00396656 0.00254561 -0.00342377 +H 2.44262045 5.58248892 3.69071623 -0.01554806 -0.02108416 0.03181198 -0.16250794 -0.08366117 0.04970184 -0.01210935 0.00368951 -0.00634936 +C 5.05045114 6.64719800 5.53427994 0.00030177 0.00348652 -0.00502244 0.01491739 0.02447599 -0.02033138 0.00234462 0.00256751 -0.00092945 +H 4.66777156 6.16937924 3.38928484 -0.01585054 -0.04257799 0.01819962 0.07051337 -0.26084351 0.06072315 0.02714485 -0.02064562 0.00516503 +C 4.40521488 6.67276934 6.78997097 0.00673423 -0.00808341 -0.00220657 0.03417667 -0.04757893 -0.01671114 0.00155900 -0.00427823 -0.00164157 +N 6.43065485 6.90845546 5.38553604 -0.00257029 -0.00335817 0.00278336 0.00244454 -0.03526566 0.00920252 0.00416982 -0.00562566 -0.00059373 +C 3.05634189 6.38442162 6.94371044 0.00125665 -0.00329269 -0.00164238 -0.00643202 -0.04108565 -0.03257519 -0.00179561 -0.00709645 -0.00665271 +H 4.94331517 6.85755383 7.72434519 -0.02502693 0.01750616 -0.02496828 -0.00971016 0.15634681 -0.03143108 0.01833594 0.01644491 0.00886774 +C 7.43463609 7.21497315 6.25131862 -0.00298992 0.00884180 0.00575426 -0.01664697 0.06318808 0.03415412 -0.00135974 0.00702520 0.00069988 +H 6.77021472 6.62595226 4.50442983 -0.01577933 -0.00026783 -0.00558648 -0.04993312 0.03707546 -0.05498118 0.00153039 0.01308134 0.00654014 +O 7.16284053 7.62596502 7.38230731 0.00186893 -0.00000886 0.00276952 0.01335577 0.00012097 0.02708617 0.00162875 0.00068436 0.00604056 +C 8.96659132 7.21711690 5.88047811 0.00285320 -0.00236925 -0.00043363 -0.02429458 -0.00303807 -0.02077563 -0.00871142 0.00169537 -0.00095718 +H 9.23622612 6.52632036 5.03921842 -0.00622876 0.00439897 -0.00693351 -0.08559174 0.03655218 -0.00568505 -0.01351004 -0.00513751 -0.01458495 +H 9.13253404 8.23857708 5.50500742 0.01389022 0.01401822 0.01880168 0.14737785 -0.01925749 0.16368928 0.02563315 -0.00967143 0.01886862 +H 9.57692852 7.01080279 6.74099072 -0.00778480 -0.01294601 -0.01484036 0.01254863 -0.11815420 -0.01735552 -0.00494978 -0.01815077 -0.00857687 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.08167313 5.63346921 6.03769406 0.00522184 0.00126373 0.00414883 0.01733277 -0.00532957 0.01930196 -0.00014138 -0.00028123 0.00239945 +C 2.29976583 6.14138292 5.87567599 -0.00093901 -0.00178674 -0.00458004 0.00429557 0.00403314 -0.02938283 -0.00041235 0.00314625 -0.00302979 +H 1.04895717 4.75960537 5.65273118 0.01107362 -0.01271440 -0.01889795 0.01598183 0.06142206 -0.02399426 -0.00879113 -0.00874605 -0.00635005 +C 2.56690930 7.50677263 6.10476749 -0.00473617 0.00202339 0.00130600 -0.03499555 -0.00456106 0.00959480 -0.00322993 -0.00394650 0.00049455 +H 3.16260932 4.24851938 5.46002126 -0.01449334 -0.00432477 0.00477866 -0.11640187 -0.10271497 -0.05148507 -0.00701629 0.02229310 -0.01268947 +C 3.90778526 7.93498055 6.18373874 -0.00300774 -0.01042857 0.00180716 -0.00880889 -0.05443875 -0.01139433 -0.00050251 -0.00295121 -0.00416651 +H 1.71649728 8.16389301 6.27089401 -0.01520103 0.00222640 -0.01566325 -0.00428478 0.02865924 -0.07241232 0.00720596 0.00811545 0.00002025 +C 4.98565769 7.04701670 5.91360948 0.00406408 0.00394455 0.00112281 0.01312933 -0.01835219 0.00990252 -0.00008706 -0.00705785 0.00176064 +H 4.16673790 8.97257415 6.21324696 -0.00952939 -0.01188436 -0.01254320 -0.10251308 -0.02397125 0.06878099 -0.01491182 -0.00493146 0.02804025 +C 4.65530565 5.66325568 5.60487599 -0.00474862 0.00656575 0.00238142 -0.02358067 0.05593438 0.01121202 -0.00392249 0.00609933 0.00058315 +N 6.30349777 7.45411073 6.11290438 0.00555780 0.00016670 -0.00612540 0.02758957 0.00303065 -0.03945008 0.00105956 -0.00033599 -0.00557235 +C 3.33891561 5.25184156 5.54521358 -0.01051427 -0.00352053 -0.00336025 -0.06077014 -0.01896110 -0.00624396 -0.00405431 -0.00496935 0.00073400 +H 5.37555221 4.86904230 5.40712486 -0.00229627 0.00464334 0.00797542 0.01794394 0.11104121 0.08112333 0.01022659 0.01730942 0.01055084 +C 7.47492312 6.81120895 5.83195518 0.00306707 0.00168108 0.00676312 0.02610833 0.01802430 0.05727143 0.00358534 0.00281107 0.00782044 +H 6.37174383 8.29658435 6.70901750 -0.02010153 0.01266521 -0.00997772 -0.02824358 0.05359620 -0.20846982 0.01604920 0.02625637 -0.03282718 +O 7.64983148 5.64049827 5.45646706 0.00205500 0.00720145 0.00224294 0.00561792 0.05466243 0.01213641 -0.00026514 0.00760100 0.00129898 +C 8.70846589 7.63747431 6.20956415 0.00330922 -0.00538091 -0.00342024 0.01716234 -0.04207911 -0.03173098 0.00721456 -0.00976585 -0.00248579 +H 9.47128708 7.01522008 6.41497340 -0.00298016 -0.01333183 -0.01249494 0.09471325 -0.16577530 0.00854455 -0.01897454 0.00775350 -0.00419283 +H 9.03387257 8.19084429 5.29636466 0.01154488 -0.00205664 0.02164347 0.06362081 0.07318260 0.09821470 0.00715041 0.02445404 -0.00590941 +H 8.47058501 8.32635616 7.05244251 0.01018078 -0.02965733 -0.00522284 0.11535400 -0.14085363 0.03893192 0.01757613 -0.00580853 0.02170401 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.91942610 5.82757337 5.82732927 -0.00519012 0.00154438 -0.00191581 -0.02756885 0.01153946 -0.01105578 0.00119596 0.00124987 0.00128106 +C 2.25330310 6.01183430 5.97688297 0.00602773 0.00331894 -0.00154199 0.06414200 0.01350515 -0.01383166 0.00537102 0.00000701 -0.00339210 +H 0.53126853 6.11569122 4.98262678 -0.01018244 0.02114070 -0.01002155 0.01406944 0.11604131 0.06151738 -0.00435859 0.02637987 -0.00930136 +C 3.07349338 5.44416047 7.05174885 0.00017367 0.00289953 0.00024213 0.00213144 0.03413776 -0.01908781 0.00166709 0.00341731 -0.00081589 +H 2.40092724 7.18230631 4.15503675 0.01422197 0.01542724 -0.00195188 0.13290000 0.05565795 -0.02623116 0.00812828 0.00387486 -0.01454390 +C 4.50902957 5.64786088 7.09044851 0.00897071 -0.00382926 0.00154228 0.00934706 -0.04461133 0.02515589 -0.00519642 -0.00752100 0.00339825 +H 2.49711913 4.92940226 7.74297459 0.01184786 -0.00333081 0.00876321 0.13383433 -0.05201059 0.11102372 0.03165412 0.01225653 -0.01102804 +C 5.17071252 6.37996243 6.13958224 0.01022842 -0.00835737 0.00432262 0.04606478 -0.04000611 0.01006832 -0.00128257 -0.00383118 -0.00105641 +H 5.05575087 5.22517614 7.95016994 0.00124724 0.00042424 -0.02065664 0.06044432 -0.07151968 -0.02814380 0.01192845 -0.02266369 0.01784596 +C 4.34848913 6.92766826 5.11645492 -0.00065578 -0.00345520 0.01146182 0.02100968 -0.00862441 0.03772665 0.00484803 -0.00057848 0.00138519 +N 6.56348323 6.57457443 6.31908987 -0.00454021 0.00350724 0.00215496 -0.04638460 0.00837058 0.02565661 -0.00550479 0.00051453 0.00401379 +C 2.97600770 6.71828402 4.97702884 0.00283494 -0.00091294 -0.00736988 0.00539807 -0.00701556 -0.02282410 0.00257543 -0.00080594 0.00168240 +H 4.75548733 7.50316041 4.26412624 -0.01690336 0.01928381 -0.00665321 -0.04233704 0.06052698 0.16091152 0.02096946 0.01715691 0.02324309 +C 7.39367032 7.35110278 5.67400543 -0.00335975 -0.00291388 -0.00212380 -0.00135807 -0.01948587 -0.01093545 0.00038212 -0.00205287 -0.00157914 +H 6.92396804 5.99209162 7.09978928 -0.02608986 0.01106171 0.00304266 -0.05175839 0.12583742 0.06906705 0.01567998 0.01334161 0.03065287 +O 7.08368276 7.90488974 4.66301515 -0.00158246 0.00006445 -0.00220197 -0.00995917 0.01267643 -0.03151318 -0.00086968 0.00278290 -0.00584820 +C 8.81653358 7.52014741 6.25037615 -0.00398277 0.00279473 -0.00188053 -0.04697510 0.02153728 0.00547801 -0.00957378 0.00169004 0.00139437 +H 9.65799408 7.38538904 5.54110566 -0.02247050 -0.01652468 -0.01482101 -0.17884967 -0.09008984 -0.07244763 -0.01768603 -0.00375374 -0.00877656 +H 8.84082586 8.55979695 6.65040870 -0.01785457 0.00673379 0.01501500 -0.03622608 -0.03034127 -0.00711057 0.01006816 0.00777047 -0.00954878 +H 8.92029186 6.89606128 7.16122034 -0.00437184 -0.00390363 0.00725615 0.01941259 -0.01227963 -0.08945948 0.00933753 -0.01023531 -0.01394292 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03862192 5.75584289 5.76153591 -0.00199393 0.00106470 0.00194040 -0.02081820 0.00860035 0.01804650 -0.00534743 -0.00104770 0.00134841 +C 2.34598727 6.10805715 5.92110825 -0.00637428 -0.00865172 -0.00315986 -0.03937697 -0.03943595 -0.02060370 -0.00130553 -0.00043653 -0.00162513 +H 0.94991565 5.01457603 5.23569989 -0.00851277 0.01876735 -0.00241588 -0.08784607 0.03490498 -0.06739847 -0.01051672 0.02468269 0.00945597 +C 2.64530229 7.34513495 6.53569821 0.00423742 0.00164925 -0.00141292 0.04406407 -0.01249565 -0.01130654 0.00840784 -0.00827063 -0.00406379 +H 3.20733881 4.32481657 4.80914120 0.00097593 -0.03545217 -0.00660152 -0.07403063 0.02953939 0.05382724 -0.02270559 0.00814278 0.00253908 +C 3.99227514 7.72659139 6.64585952 0.01462483 0.00289525 -0.00298713 0.06169015 0.01936824 -0.02032883 -0.00093608 0.00350887 -0.00150556 +H 1.89424487 8.03264579 7.01576525 -0.00071946 -0.01973409 -0.01837170 -0.05684217 -0.11675243 -0.15249118 -0.02147564 0.00537048 -0.01070112 +C 4.99492762 6.93390209 6.09969676 -0.00240556 0.00131410 0.00642660 0.02041224 0.00237871 0.01148053 0.00840485 -0.00018237 -0.00341572 +H 4.36376093 8.68655901 7.03578860 -0.02643382 -0.01563294 -0.01278391 -0.18435791 0.07061633 0.04958067 -0.01178882 0.02531253 0.01826800 +C 4.64938808 5.77259847 5.39873601 0.00068566 0.00463998 0.00247849 -0.01060628 -0.00090028 0.00401078 -0.00372698 -0.00408915 -0.00026167 +N 6.27542988 7.45240239 5.96476992 -0.00061158 0.00883361 0.00205524 -0.01010463 0.06514280 0.02003432 -0.00147594 0.00833992 0.00357347 +C 3.33899040 5.29651470 5.32779497 -0.00468544 -0.00525970 -0.00185581 -0.02208072 -0.03711115 -0.00694143 -0.00132234 -0.00201770 0.00152964 +H 5.30672814 5.14834813 4.78065107 -0.00232116 -0.00094951 0.00035420 0.09888039 0.07852001 0.11190238 0.03037521 0.01035183 0.01945397 +C 7.45650314 6.85964825 5.76725699 -0.00131715 -0.00673519 0.00326023 -0.01677045 -0.02259615 0.04357990 -0.00288931 0.00343303 0.00888213 +H 6.30208523 8.42019686 6.13212647 -0.02079361 0.02135872 0.00183554 -0.03792031 0.09075876 -0.02231347 0.01150879 -0.00651295 -0.00903536 +O 7.60256999 5.66665694 5.80547441 0.00085656 0.00194018 -0.00430995 0.00528133 -0.01533487 -0.03697933 0.00040133 -0.00657396 -0.00602943 +C 8.66991130 7.70340136 5.81554236 0.00326986 -0.00293320 0.00052975 0.00864704 0.01446644 0.00673532 0.00168427 0.00399653 0.00173271 +H 8.52989045 8.31784243 6.68085961 0.00129261 0.00868528 0.02813838 0.11566100 -0.00748687 0.03379791 0.02755758 -0.00860657 -0.02049509 +H 9.58221413 7.17251440 5.87267259 -0.00572434 0.01271312 -0.00834783 0.07933625 -0.03065143 -0.03938333 -0.00521454 -0.00329831 -0.00471744 +H 8.67300312 8.34485595 4.93855756 -0.00695948 -0.00432796 -0.01183298 -0.01374169 -0.03829811 -0.02436770 0.00217393 -0.00200824 0.00470867 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.88892013 5.80022578 5.94599142 0.00233215 0.00490559 0.00292297 0.02825731 0.03327058 0.01237676 0.00538011 0.00583762 0.00173302 +C 2.25502964 6.15082149 5.91168420 0.00316948 0.00312735 0.00114640 -0.00590099 -0.03081629 -0.00738962 -0.00264747 -0.00936229 -0.00211199 +H 0.57819605 5.06501233 5.43637309 -0.01382078 -0.01347703 -0.00675066 0.04941499 0.05716812 0.03463790 0.01392189 -0.00027569 -0.00366798 +C 2.68217413 7.14514728 6.75468830 0.00033086 0.00181915 -0.00001997 0.00841205 0.02274978 -0.00031263 -0.00125411 0.00332557 -0.00008701 +H 2.84081547 4.43077899 4.64265322 0.02517015 -0.01622981 -0.00925974 0.15752227 0.03092876 -0.04748162 0.00557113 0.00240112 -0.01517733 +C 4.04395483 7.45728307 6.94297045 0.00323414 -0.00510298 0.00078754 0.00842742 -0.04046445 -0.00867664 0.00054620 -0.00280145 -0.00140464 +H 1.92608451 7.71425463 7.20775926 -0.00536091 -0.01939703 -0.01053890 -0.06272675 -0.01770176 0.07911908 0.01502348 0.00119854 0.01676087 +C 4.99441616 6.72353834 6.19595789 0.00057162 0.00401516 -0.00191385 0.03805008 0.02357226 -0.04171940 0.00729616 0.00183769 -0.00920427 +H 4.31482974 8.25768412 7.55869805 -0.01890455 0.00037951 -0.00731919 -0.04622694 0.02439885 0.03434877 0.00264913 -0.02099411 -0.00169125 +C 4.57895827 5.72513313 5.23057476 -0.00377094 0.00049330 -0.00497661 -0.04181096 0.00921420 0.00498916 -0.00056042 -0.00055441 0.00362487 +N 6.37666695 7.10425300 6.37662851 0.00403527 -0.00320011 0.00236566 0.01533635 -0.02686893 0.02537682 -0.00002994 -0.00421992 0.00384837 +C 3.18267177 5.33956801 5.19117811 -0.00194904 -0.00471984 -0.00351631 0.00460212 -0.00911104 -0.01667447 0.00282259 0.00358180 -0.00027185 +H 5.21845230 5.17013175 4.68407251 0.00339051 -0.00477434 0.02441010 0.13422232 -0.06075000 0.05746426 -0.01853097 0.02312943 0.01959287 +C 7.53243854 7.00182222 5.67578349 -0.00237023 -0.00129684 -0.00008367 -0.00634077 0.00003399 -0.01454010 -0.00083861 0.00179616 -0.00114063 +H 6.63748878 7.51351522 7.26671732 -0.01072467 0.00342818 0.00423103 -0.15354349 0.03922662 0.01879491 -0.02153748 0.00812198 0.00334510 +O 7.62991225 6.55779996 4.51687626 0.00231582 0.00006830 0.00708601 0.00556754 -0.00478178 0.04916871 -0.00075273 -0.00218178 0.00496193 +C 8.85283562 7.56847419 6.30247781 -0.00783442 0.00129052 -0.00473731 -0.06954279 -0.00924121 -0.05006018 -0.01111063 0.00052728 -0.00568678 +H 8.59728422 8.48145264 6.76834298 0.00868841 -0.00739184 0.00700169 0.08803104 -0.01352461 0.14645873 0.00999980 -0.02426855 0.01136954 +H 9.19457778 6.70722473 6.91109376 -0.00810149 0.00307328 -0.02287275 0.00525926 0.07632108 -0.01027440 0.01404609 0.00675080 0.01366103 +H 9.65906399 7.67033651 5.54943693 -0.00748753 0.02437031 -0.01199468 -0.15809551 0.19100524 -0.04127778 -0.02570239 0.02420683 -0.00991737 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00764157 5.65346560 5.69899034 0.00324089 0.00467158 0.00368177 0.02490103 0.03602413 0.02790611 0.00324394 0.00422366 0.00542229 +C 2.33881301 5.93612374 5.93933554 0.00297477 -0.00811268 -0.00923301 0.01604625 -0.04001020 -0.07089076 0.00417979 -0.00283755 -0.00872940 +H 0.67926080 6.19453594 4.95005436 -0.01674706 -0.00953001 0.00256005 -0.10786733 -0.10525277 0.04435095 -0.01965618 -0.00321117 -0.01301764 +C 2.99831657 5.46253481 7.06242360 -0.00409143 0.00220735 -0.00007108 0.00423706 0.03076972 -0.00056758 0.00283835 0.00547072 0.00071332 +H 2.58315747 7.26221506 4.20809270 0.01112078 0.01057417 0.00086152 -0.02481406 0.00392775 0.00719030 -0.00452391 -0.01706404 0.01194358 +C 4.40948821 5.76552200 7.19223340 0.00026583 -0.00915249 0.00522462 -0.01170141 -0.03898151 0.02695538 -0.00369884 -0.00040119 -0.00114993 +H 2.39957364 5.03620070 7.83139931 -0.00532914 0.03744935 0.00451822 -0.00816031 0.08236422 0.07373754 0.01318524 -0.00686303 -0.00247128 +C 5.11905362 6.57264096 6.23845013 -0.00102574 0.00537501 -0.00568879 -0.01933346 -0.01324234 0.00278540 -0.00442030 -0.00919433 0.00730495 +H 4.91692820 5.49885502 8.15838401 -0.00518259 -0.01692992 0.00471211 -0.04856637 -0.14689063 -0.06038090 0.00581821 -0.02903348 0.00523266 +C 4.41215657 7.01643975 5.12064887 0.00058524 0.00694203 0.00221049 -0.02631606 0.04688693 0.02669398 -0.00372332 0.00672740 0.00359961 +N 6.47751191 6.72870915 6.45350772 -0.00266252 0.00105995 -0.00120955 -0.01245941 -0.00020124 -0.00065922 -0.00154869 -0.00126670 0.00112484 +C 3.01379947 6.79608668 5.04809461 0.00919171 -0.00152310 0.00112932 0.05936358 -0.01728992 -0.01147250 0.00298908 -0.00290849 -0.00619409 +H 4.76422678 7.67511988 4.34233987 -0.01659201 -0.03605901 0.00885814 0.07815630 -0.09460198 -0.09017958 0.02037818 0.00180531 -0.01137482 +C 7.38885897 7.26334397 5.65667133 0.00070455 -0.00286076 0.00237023 0.00556163 0.00019669 0.01085146 0.00021216 0.00322550 -0.00040261 +H 6.87589239 6.29240274 7.29027283 -0.02443244 0.00768699 -0.00279992 -0.13283919 0.03950599 0.05815703 -0.00484928 0.00279462 0.02036516 +O 7.03796975 7.80096675 4.63126750 -0.00655541 -0.00173465 0.00021928 -0.02832679 -0.00834105 -0.00847600 -0.00089904 -0.00096866 -0.00193784 +C 8.86903245 7.34615885 6.09293991 0.00287855 0.00171142 -0.00011554 0.01167791 0.02542510 -0.00135682 -0.00041824 0.00065391 -0.00078863 +H 9.48269696 7.36613678 5.16842538 0.00048865 -0.01328349 0.00561823 0.01568207 -0.04044461 0.03411290 0.00795248 0.00874033 -0.00748872 +H 9.08292100 8.30019137 6.66197907 -0.00847845 0.01873001 0.00798366 -0.08436325 -0.02780145 -0.05812254 -0.00307738 0.00605529 -0.00192435 +H 9.22559465 6.55320717 6.72686905 0.01792464 0.00452014 -0.02768891 0.06918425 -0.07297671 -0.10551806 -0.00660203 -0.00605507 -0.00491531 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00559804 5.63928104 5.79507704 -0.00000773 -0.00176016 -0.00555699 0.00274936 -0.00822380 -0.04461474 0.00020052 -0.00039511 -0.00543209 +C 2.33116300 6.04678465 5.95442358 -0.00751816 0.00384118 -0.00721882 -0.05583435 0.02263517 -0.03087758 -0.00608951 0.00320989 0.00056977 +H 0.73461712 5.40197475 4.92340182 -0.00108451 0.00132777 -0.03087280 0.06756087 0.05882737 -0.04420853 0.01020481 0.00789585 -0.01216732 +C 2.83540490 6.38929473 7.22668703 0.00287937 -0.00368706 0.00488140 -0.00513540 -0.02942555 0.00996119 -0.00492687 -0.00399665 -0.00044265 +H 2.73535389 5.88759621 3.90581313 -0.00776542 0.01459116 -0.01095174 0.03848996 0.04507206 -0.09523005 0.02358413 0.00081497 0.00990569 +C 4.17201510 6.72663253 7.36538037 0.00338210 0.00598168 0.00464499 0.02962215 0.02996232 0.03439073 0.00394986 0.00214483 0.00491554 +H 2.17949027 6.37808531 8.03600697 -0.00377421 -0.00472204 0.00847780 -0.00053959 -0.03218945 0.08324032 0.01884193 -0.00578575 -0.00864407 +C 5.07161927 6.64639543 6.27673049 0.00288759 0.00100602 0.00387715 -0.00114875 0.01057825 0.03304845 -0.00374849 0.00144739 0.00526543 +H 4.44129686 6.94882184 8.39206359 0.01603296 -0.00152584 -0.01190136 0.20052779 0.05725665 -0.01508963 0.02800049 0.01476211 0.00446354 +C 4.52541195 6.30576477 5.02352481 -0.00675661 -0.00871036 0.00736749 -0.00814639 -0.04715124 0.04646850 0.00581062 -0.00471306 0.00424986 +N 6.42697945 6.92179448 6.47779292 -0.00046195 -0.00344714 0.00904667 -0.00550815 -0.03230640 0.04141549 0.00236554 -0.00496110 0.00139096 +C 3.17380543 6.06074027 4.83288732 -0.00332185 0.00400711 -0.00018625 -0.04314463 0.02574676 -0.00261457 -0.00780137 0.00317776 -0.00317236 +H 5.15319673 6.29551949 4.20581683 0.03358654 -0.01022831 0.03243884 0.11679321 -0.12572181 0.08173114 -0.02718214 -0.02530047 0.00969588 +C 7.38220684 7.15872197 5.61076950 0.00231269 -0.00353783 -0.01201802 0.04494728 -0.01642241 -0.05294307 0.00716798 -0.00150537 0.00167352 +H 6.74335348 6.77340926 7.42120369 -0.00725145 0.00309378 -0.00525704 -0.00564132 0.06522205 0.08680342 -0.00062251 0.01547460 0.00974736 +O 7.32180388 7.33231761 4.39413424 -0.00213739 -0.00058820 -0.00245308 -0.02885169 -0.00615081 -0.02701975 -0.00560032 -0.00107286 -0.00602506 +C 8.78412251 7.28296099 6.17578438 0.00617198 0.00840342 -0.00199615 0.03406084 0.05948096 -0.00256280 0.00270743 0.00468131 0.00166123 +H 9.47694345 6.52368049 5.76180349 -0.01198640 0.02204613 0.02494754 0.03916903 0.07443719 -0.02462610 0.02311409 0.00134731 -0.03212075 +H 9.15076807 8.35242331 5.96991908 0.00245867 -0.00656017 0.01829641 0.07275937 -0.02418381 0.09086510 0.02683835 0.03443243 0.00286069 +H 8.88037142 7.13595076 7.24518586 0.01980756 -0.01988216 -0.01602931 0.01866237 -0.10182093 -0.01751495 -0.01502768 -0.00438108 0.00337570 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02532550 5.88207905 5.78146330 0.00163162 -0.00118851 0.00330168 -0.00528368 -0.01664516 0.01610239 -0.00237496 -0.00393999 0.00376518 +C 2.34312418 5.93608564 5.96933889 0.00064796 0.00677190 0.00144940 -0.00819816 0.06093589 -0.00028918 -0.00208812 0.00891083 -0.00105137 +H 0.80174873 6.15125006 4.87964963 0.00808140 0.00162851 -0.01561833 0.02556475 -0.02968782 0.05133362 -0.01278054 0.00186117 -0.01210814 +C 2.97410761 5.42286132 7.08740118 -0.00086271 -0.00465247 -0.00467318 0.00152207 -0.03188314 -0.03209886 0.00139482 -0.00367543 -0.00312519 +H 2.47167540 7.09304625 4.10790658 -0.01324549 -0.02210464 0.03046549 -0.11257634 -0.02966909 0.08452687 -0.01273565 0.01823555 -0.02214381 +C 4.32289877 5.74294987 7.16399175 -0.00554580 0.00128941 -0.00018815 -0.00063320 -0.00765711 0.02771822 0.00615331 -0.00341402 0.00838295 +H 2.51990104 4.75831795 7.77906877 0.01364527 -0.00618520 0.02362270 0.02330303 0.07402702 0.09165604 -0.00705531 0.02800875 -0.00964046 +C 5.11518880 6.40881795 6.22272336 -0.00430021 -0.00166268 0.00576737 -0.01373202 0.01068356 0.00439925 0.00023162 0.00446130 -0.00426952 +H 4.86156898 5.36700942 7.98869190 0.00008339 0.02460057 -0.00604493 0.00944334 0.06287902 0.10470948 -0.00916084 -0.00189851 0.01739217 +C 4.41574427 6.93852186 5.10418077 -0.00020654 0.00331461 0.00166038 -0.02436027 0.00981602 0.01334159 -0.00511452 -0.00085022 0.00177625 +N 6.53598868 6.54889681 6.38399490 -0.00107994 -0.00142387 -0.00211470 -0.01346137 0.00108388 -0.01004934 -0.00373479 0.00063316 0.00098404 +C 2.99522767 6.73227412 5.03073040 0.00085711 -0.00351907 -0.00714615 0.03769936 -0.02935835 -0.04641706 0.00656539 -0.00514844 -0.00395797 +H 4.90082787 7.47290467 4.28515882 -0.00708061 -0.00471303 -0.00846972 -0.06589648 -0.02996796 -0.00772477 -0.00144722 0.00336521 0.00113779 +C 7.42229155 7.26356276 5.63092768 0.00228351 -0.00161314 -0.00150810 -0.01027127 0.00114000 -0.00301347 -0.00340907 0.00197201 0.00204611 +H 6.99676505 6.34894146 7.23849859 -0.02415731 -0.01303299 0.00426602 -0.19786773 -0.17817112 0.04435374 -0.02502798 -0.02417468 -0.01460590 +O 7.07575951 7.82856252 4.59955026 0.00393346 0.00224748 0.00102153 0.03497785 0.01421232 0.00092194 0.00536574 0.00185336 -0.00108917 +C 8.80601697 7.58162632 6.16930214 0.00131808 -0.00191900 0.00134813 0.02544529 -0.00722692 0.00920459 0.00410801 0.00208678 0.00101089 +H 9.37948185 8.24065151 5.55890473 -0.00941849 0.02295486 -0.01503724 -0.14827615 0.04606122 -0.10478631 -0.02988680 -0.01821879 -0.00276668 +H 8.80587808 8.09057423 7.08786094 0.02760284 0.02413793 0.00957178 0.09632987 0.02799569 0.04027533 -0.00007449 -0.02788806 -0.01579843 +H 9.42469242 6.66299450 6.24091062 0.00037950 -0.00059050 -0.02278249 -0.00330840 0.00323058 -0.11134296 0.00916086 -0.00671736 -0.00729172 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96295569 5.84718635 5.88325345 -0.00362537 -0.00368242 -0.00084566 -0.04066673 -0.03210537 -0.01706845 -0.00611553 -0.00474078 -0.00292462 +C 2.26784767 6.06483003 5.94276004 0.00147344 0.00761493 0.00116798 -0.00054778 0.05271197 0.02157275 -0.00277410 0.00567896 0.00318355 +H 0.64125742 5.49964483 5.08875562 -0.01087720 0.00287547 -0.02362725 0.00313455 0.05590872 -0.05438469 0.00730834 0.00930177 -0.00259198 +C 2.71786791 6.72933527 7.07808472 -0.00312021 -0.00051413 0.00130177 0.02235057 0.02028879 0.02951007 0.00770035 0.00500718 0.00568603 +H 2.77307722 5.19843575 4.05340809 -0.00213170 -0.03881985 0.00147137 0.04871074 -0.17014851 0.15704031 0.00783888 -0.01728713 0.02226128 +C 4.13931633 7.03543827 7.18546129 -0.00498452 -0.00476307 0.00036545 -0.04789092 -0.02573023 0.00728241 -0.00337916 -0.00156113 0.00029524 +H 2.04190032 7.10486062 7.86631206 0.01667815 0.01542315 0.02499398 0.11061607 -0.03503289 0.05160489 -0.00299174 -0.01560016 0.00703991 +C 5.03875099 6.76867133 6.14561547 -0.00211693 0.00933853 0.00194847 -0.02608858 0.03403718 -0.02938706 -0.00613215 0.00053097 -0.00862852 +H 4.46557057 7.51942330 8.09619267 0.03389437 -0.00334935 -0.01629998 0.13372940 -0.00886106 -0.09155514 -0.00805120 -0.00129613 -0.00244097 +C 4.50842495 6.04458589 4.99172929 -0.00341087 -0.00135239 -0.00517879 0.02623538 0.01520116 -0.01699262 0.00614661 0.00658075 0.00373099 +N 6.36360739 7.25443807 6.29826659 -0.00383409 0.00590240 0.00205399 -0.03933411 0.03712490 0.02523200 -0.00560850 0.00410754 0.00357276 +C 3.14545213 5.69272081 4.94609754 0.00360285 -0.00289230 0.00851069 0.02346845 -0.03566672 0.02044385 0.00362664 -0.00566637 0.00031523 +H 5.20026199 5.77957686 4.14282557 0.02506003 0.00544460 -0.03472247 -0.08462930 0.08612105 0.03410572 -0.00792677 0.00350918 -0.00073006 +C 7.52544593 7.03166639 5.70078900 0.00023172 -0.00053208 -0.00030168 -0.00966904 -0.01931786 -0.02645313 -0.00328625 -0.00349065 -0.00519466 +H 6.42065197 7.82454089 7.12729841 -0.02045984 -0.00522993 -0.00023833 -0.03830290 0.05186318 0.03178989 0.00934356 0.01515157 0.00306154 +O 7.58339647 6.24889198 4.74181015 0.00787031 -0.00119554 -0.00602429 0.05759724 -0.00054137 -0.03270549 0.00792529 0.00085731 -0.00339623 +C 8.77499113 7.76742230 6.17226733 0.00437703 -0.00418306 0.00108293 0.01634365 -0.04065022 0.00915525 0.00202810 -0.00721789 -0.00116334 +H 8.59753988 8.48572199 7.01460380 -0.00179870 -0.00138212 -0.01437597 0.00459716 -0.09056799 -0.00632247 -0.00213731 -0.01468158 0.02861072 +H 9.53455057 7.05271732 6.32310069 0.00896803 -0.01970458 0.00165490 0.05524134 -0.05257836 0.08606927 -0.00845738 0.01934180 0.01343689 +H 9.10356318 8.34170596 5.34011478 -0.01639445 0.00777901 0.03563011 -0.00530785 0.15516972 0.05074207 0.00745447 0.00776794 0.00318679 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.05644754 5.62659349 5.99655721 -0.00247198 -0.00186399 -0.00298955 -0.01356973 -0.00996547 -0.02775628 -0.00182840 0.00083797 -0.00357122 +C 2.34004546 6.12242322 5.86557644 -0.00495544 -0.00155478 0.00097396 -0.03612132 -0.01386088 0.01846105 -0.00322399 -0.00091554 0.00435360 +H 0.93110433 4.78966341 5.50365637 -0.00403156 -0.00691186 -0.00842277 -0.02085877 0.01959954 0.00008902 -0.00595882 -0.02186943 -0.01212748 +C 2.68384518 7.41358010 6.36324591 -0.00696128 0.00468346 0.00487726 -0.05676381 0.00611240 0.02328276 -0.00883382 -0.00272287 0.00198643 +H 3.22686743 4.28257280 4.94564016 0.01680991 0.01133269 0.00478146 -0.03114514 -0.02263336 0.06216845 -0.01842504 0.00743095 0.01885628 +C 3.98489863 7.87703609 6.43266175 -0.00039693 0.00269559 0.00796056 -0.01179761 -0.02824515 0.03865682 -0.00388196 -0.00800266 0.00310005 +H 1.90530506 8.05357403 6.77116445 0.01399250 -0.00503017 -0.01616538 -0.08035533 0.05925722 -0.03087064 -0.02587489 0.01216731 0.00356222 +C 5.00060993 6.98733026 5.98060054 -0.00076023 -0.00186065 -0.00735117 -0.01765158 0.02402565 -0.04784520 -0.00063130 0.00833522 -0.00525343 +H 4.08138184 8.82150966 6.96290857 -0.02260604 -0.02299858 -0.02119137 0.05399117 0.07518479 -0.07679230 0.03160782 0.01847395 -0.00705534 +C 4.61680334 5.79464702 5.31609055 0.00080256 -0.00153243 0.00328682 0.03878346 -0.03909651 0.04140830 0.00858067 -0.00642537 0.00792956 +N 6.27981972 7.44349914 6.10648869 0.00392413 0.00443495 -0.00703409 0.05897864 0.03880744 -0.04489292 0.00868587 0.00406830 -0.00674826 +C 3.32606759 5.25088316 5.36655801 0.00411351 0.00069108 0.00501456 0.03026034 0.03687551 0.02767226 0.00237295 0.00601910 0.00258304 +H 5.38759878 5.06359591 5.09798107 0.02517257 -0.00268148 -0.01055508 0.00464933 0.08761657 -0.17713915 -0.00926457 0.01117606 -0.03702929 +C 7.48747005 6.83957644 5.86258231 0.00825146 -0.00563543 0.00217291 -0.00262289 -0.01571857 0.02130972 -0.00683657 0.00105284 0.00332203 +H 6.37480544 8.37392433 6.50722731 0.01681918 0.02736650 -0.00442803 0.06470633 0.02290941 -0.13731557 0.00610299 0.00823796 -0.02227935 +O 7.52898724 5.66456602 5.59658641 -0.00311591 0.00344098 -0.00296491 -0.00290885 0.00243138 -0.02713584 0.00205776 -0.00298669 -0.00464500 +C 8.71640948 7.67804237 6.00253846 0.00122120 -0.00634803 0.00116311 0.00410830 -0.03342766 0.02448920 0.00093975 -0.00326428 0.00413064 +H 8.64332145 8.16619270 7.00974314 -0.01430387 0.00533504 -0.01217018 -0.00417861 -0.00132775 -0.05396659 0.00895069 0.00433778 0.01933193 +H 9.60589322 7.04051976 5.89784949 -0.00390165 0.02411570 0.01497568 0.10715019 0.09963873 0.10764710 0.02492911 0.00222935 0.01304146 +H 8.72916596 8.48530346 5.25652409 -0.00945692 -0.01159812 0.02977919 -0.03467850 -0.00524354 0.04446499 0.00079489 0.00597161 -0.01607493 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92784095 5.80164987 5.81156750 -0.00417437 0.00330418 0.00007872 -0.00742489 0.01305275 0.01097495 0.00099789 0.00125172 0.00266291 +C 2.30240220 6.13629282 5.85963068 -0.00344283 -0.00452838 0.00545125 -0.04070019 -0.02991129 0.01191642 -0.00490747 -0.00184656 -0.00299242 +H 0.74847442 4.94385364 6.13063902 -0.01516669 -0.02552384 -0.02357742 -0.06253996 -0.00427322 -0.18781886 -0.00479805 0.00541220 -0.02508679 +C 2.71775863 7.14945692 5.00489945 0.00802797 -0.00251924 -0.00337504 0.03009510 -0.02441485 -0.02075112 -0.00255284 -0.00504848 -0.00199795 +H 2.88795776 4.68550981 7.28512592 0.01273924 -0.02779001 -0.03042118 0.13828002 -0.21167540 -0.16988690 0.02374025 -0.01498306 -0.02110786 +C 4.08118014 7.47916698 4.89069791 0.00275442 -0.00628892 -0.00276969 -0.00253317 -0.02971436 -0.03453753 -0.00056448 -0.00047364 -0.00634522 +H 1.98404220 7.62319106 4.41655281 -0.00965335 0.00904565 -0.00720172 0.04469332 0.05975674 0.00556276 0.02759564 0.00062877 0.01219902 +C 5.04443111 6.75381403 5.57345962 -0.00054107 0.00823017 0.00842100 0.00638218 0.05651427 0.07760979 0.00146094 0.00773875 0.01198072 +H 4.23976602 8.28216111 4.23032731 -0.01505518 0.01304344 0.00454513 0.05376768 0.05224595 0.03483530 0.02309138 -0.01439844 0.01136759 +C 4.64394079 5.73234533 6.47204601 -0.00106042 -0.00172190 0.00113354 -0.02129017 0.00342383 0.00252544 -0.00325064 0.00257889 0.00042149 +N 6.32629226 7.27132058 5.49622632 0.00112295 0.00301436 0.00142196 0.03204671 0.01641640 0.01412557 0.00667728 0.00265684 0.00150696 +C 3.26560036 5.39549235 6.58013830 0.00102957 0.00154969 -0.00050074 -0.00242084 0.00615249 0.00053382 -0.00261981 -0.00229657 0.00077029 +H 5.34991315 5.29864458 7.16765669 -0.01138011 0.00571653 -0.01252343 -0.02097887 -0.11823732 -0.04959186 0.00117381 -0.03119786 -0.00857148 +C 7.47284882 7.02136218 6.20061959 0.00047118 -0.00955521 -0.00030780 -0.00286241 -0.06319392 -0.02786464 0.00048232 -0.00495703 -0.00915939 +H 6.45193836 7.86910827 4.69919979 -0.00103103 0.00318469 0.02893851 0.03032865 0.16839449 0.09598991 0.00617613 0.02475560 0.01510767 +O 7.43912395 6.14543362 7.07476158 0.00042259 0.00933375 -0.00261058 0.01505207 0.05891883 -0.00343405 0.00340221 0.00553631 0.00318650 +C 8.83681268 7.68995860 5.83292584 0.00047522 0.00110358 -0.00143193 -0.01755138 -0.01984782 -0.02229804 -0.00777502 -0.00426836 -0.00263289 +H 9.06895924 7.74433108 4.75966807 0.00122349 -0.00201283 -0.01883266 -0.10660688 0.00588803 -0.00187290 -0.02494734 0.00871162 0.00356097 +H 8.74639680 8.69466842 6.18587014 -0.00403283 -0.02827482 0.01889002 0.07768681 -0.03236348 0.18615435 0.02489837 -0.00889904 0.01570441 +H 9.71651002 7.13664074 6.26125645 -0.00561798 -0.02626063 -0.01827972 -0.11472850 -0.08680588 -0.07604339 -0.00449477 -0.01253538 0.00166890 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.05207594 5.64674774 5.95312508 -0.00421525 0.00074667 -0.00010534 -0.03366037 0.00355481 -0.01248222 -0.00356840 0.00084748 -0.00365675 +C 2.32382672 6.04568483 5.91662847 0.00091284 -0.00641720 -0.00168288 0.02577543 -0.03889612 0.00270221 0.00360534 -0.00430885 0.00457933 +H 0.74150409 5.31152476 5.08941468 0.02498996 0.03862613 -0.00757367 0.09271063 0.23098446 -0.09709986 -0.00694104 0.02290518 -0.02113607 +C 2.79054744 6.62004387 7.12158543 0.00008439 0.00007730 0.00512600 0.03044897 -0.01463988 -0.00207495 0.00282259 -0.00472541 -0.00216757 +H 2.78377960 5.59013767 3.80999655 -0.01232451 0.02056072 0.01447610 -0.03390934 0.00428445 -0.00124664 0.00550724 -0.01585844 -0.00369204 +C 4.16710326 6.96530982 7.28787132 0.00504330 -0.00164512 0.00085732 -0.00109078 -0.01954671 -0.00465423 -0.00265942 -0.00215790 0.00122441 +H 2.12906544 6.72953079 7.91334077 0.00690037 -0.01172380 -0.04194182 -0.12331240 -0.03202418 0.03775220 0.00745451 -0.00116089 0.00633697 +C 5.01319172 6.84426473 6.15983006 0.00244167 0.00270020 -0.00189607 0.01815377 0.01409093 0.02380776 0.00170111 0.00002689 0.00559375 +H 4.42673962 7.25326508 8.25727245 -0.00839955 -0.00403870 0.00419219 0.07475914 0.04358860 0.02004478 0.01518301 0.00488508 -0.02637515 +C 4.46540749 6.33375748 4.96869289 0.00275213 -0.00244501 0.00254806 0.05000976 -0.00908106 -0.00426422 0.00824500 -0.00029766 -0.00188906 +N 6.36587692 7.17281576 6.41597525 -0.00134559 0.00521200 -0.00128162 -0.01656707 0.03928308 -0.03078458 -0.00202047 0.00828216 -0.00309739 +C 3.19255171 5.85837345 4.77669937 0.00077342 -0.00246336 -0.00371048 -0.02877571 0.00944318 0.02090935 -0.00518024 0.00497352 0.00686797 +H 5.11987165 6.36158748 4.08352611 -0.00011670 0.01350059 0.02435748 0.05391990 0.01426797 0.02132518 0.01880054 -0.01032564 -0.02730520 +C 7.42702178 7.02973116 5.64207806 0.00444771 0.00288635 -0.00392066 0.03066731 0.02751409 0.01449717 0.00166802 0.00352009 0.00589125 +H 6.64988525 7.65776451 7.21838274 -0.01927637 0.00366623 -0.01754914 -0.18366466 0.06893895 0.07153378 -0.03047248 -0.00599041 -0.00470520 +O 7.47741167 6.51959498 4.58002037 -0.00575745 0.00011112 0.00635172 -0.04237356 -0.01502760 0.00839447 -0.00557525 -0.00392137 -0.00312459 +C 8.73858483 7.51123770 6.24241144 -0.00259445 -0.00441789 -0.00237349 -0.00201264 -0.02105212 -0.00987397 0.00426095 -0.00123803 -0.00172457 +H 9.50841253 6.87288500 5.86010763 0.02182750 -0.00313452 -0.00489942 0.08596529 0.01739101 0.08743049 -0.00855891 0.00602629 0.03048467 +H 8.89805431 8.52336694 5.86937897 0.01370594 -0.01828274 -0.00371825 0.10798676 -0.06427078 -0.08086969 0.01160319 -0.00169563 -0.01385791 +H 8.76599869 7.64568824 7.33913623 -0.01548521 0.01449428 0.01152322 -0.10515923 -0.02532153 -0.05534094 -0.01171283 -0.01495054 -0.00803252 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98305779 5.64817608 5.75994508 0.00088359 -0.00198433 -0.00074334 0.02429931 -0.00840312 -0.00004831 0.00429246 0.00143846 -0.00125565 +C 2.29952214 6.09855097 5.84748644 0.00503126 0.00535928 -0.00148187 -0.00323189 0.02868115 -0.02794602 -0.00471431 0.00014264 -0.00568902 +H 0.42708363 5.97689052 5.11207783 0.00102534 0.02676514 0.02188388 0.02319703 0.23397581 0.13347351 0.02368940 0.01785316 0.04190641 +C 2.59455755 7.48492806 5.82581855 0.00141605 -0.00276509 -0.00450824 0.03033089 -0.00012373 -0.01025433 0.00701574 0.00479099 0.00130751 +H 3.16565180 4.18375037 5.99969314 -0.00934722 -0.03523778 0.01196939 -0.08190061 -0.07324953 -0.06184567 -0.00569788 0.03867085 -0.02716130 +C 3.92643958 7.93871451 6.02620295 0.00620733 0.00301494 0.00287617 0.03720624 0.00706332 0.00735244 0.00414288 -0.00390402 -0.00074888 +H 1.80951782 8.22185108 5.84805105 0.01773582 0.00761171 -0.00285660 0.04652985 0.02925373 -0.06762367 -0.00129137 -0.00357426 -0.01470615 +C 5.00932681 7.02514580 6.02236504 0.00299289 -0.00758789 0.00351228 -0.00182670 -0.07355986 0.02760667 -0.00391384 -0.00749630 0.00394007 +H 4.09790511 9.01298527 6.12218876 0.00358900 0.00995661 0.00592344 0.04169731 -0.01546348 0.01991308 0.01153789 -0.00341661 -0.00042349 +C 4.67116221 5.58675667 5.94071212 -0.00775949 0.00271411 -0.00019722 -0.03638914 0.04104218 -0.00164082 -0.00498935 0.00613091 0.00046803 +N 6.32628286 7.49401373 6.12725249 -0.00398231 -0.00579495 -0.00204506 -0.01396924 -0.05829180 -0.02839682 0.00016227 -0.00670084 -0.00515522 +C 3.33714090 5.17996644 5.85455443 -0.00407773 -0.00049312 0.00059114 -0.02305151 -0.02444987 0.02543071 -0.00349499 -0.00640428 0.00595306 +H 5.43734542 4.75132284 5.92093711 -0.01601897 0.00860874 0.01545424 -0.08543395 0.10859752 0.13331935 0.01879514 -0.00536313 0.01825348 +C 7.50645680 6.81604748 5.92960537 -0.00129853 0.00792104 -0.00245651 -0.01105773 0.04263871 -0.01012538 -0.00074713 -0.00071114 -0.00105529 +H 6.39986016 8.48326121 6.08451751 0.01165648 -0.03561721 0.00611319 0.06450813 -0.00671328 0.09081064 -0.00566531 -0.00704628 0.01652472 +O 7.61203730 5.58986362 5.85358219 0.00395197 -0.00444568 -0.00037977 0.02870402 -0.00653726 -0.00329057 0.00399495 0.00454497 -0.00049896 +C 8.76818269 7.73051163 5.81945659 -0.00013717 0.00867472 0.00116635 -0.03489908 0.04534993 -0.00003561 -0.00681363 0.00316180 0.00050367 +H 9.00520366 7.91457530 4.78354931 -0.00572633 -0.00282004 0.00109900 -0.01087692 -0.01316598 -0.03041763 0.00158202 -0.00126238 0.00167162 +H 8.69240269 8.68259865 6.31779128 -0.00945469 0.00496489 -0.00841157 -0.09078499 0.08096080 -0.00407921 -0.01215498 0.00480012 0.00014273 +H 9.57304386 7.21629227 6.24421669 -0.04316771 -0.00228519 0.00100146 -0.04268731 -0.09113047 0.11026469 -0.00355244 0.00859431 0.00752176 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92737268 5.83593504 5.87018850 0.00518104 -0.00121934 0.00528944 0.03532446 -0.00287059 0.02864029 0.00647703 -0.00116543 0.00401294 +C 2.28450025 5.97504727 5.94120275 -0.00025535 -0.00014160 0.00292434 0.04165979 0.01096580 -0.00430018 0.00958180 0.00199930 -0.00293942 +H 0.50081166 6.51823484 5.31909335 0.01623338 0.01967718 0.00247927 0.13657535 0.02694394 0.07039701 0.00146661 0.01810191 -0.00587060 +C 3.03217046 5.49063501 7.02757864 -0.00414408 -0.00447696 0.00000561 -0.04505511 -0.03998262 0.01580673 -0.00722260 -0.00523358 0.00302830 +H 2.63778157 6.86437834 3.94614632 0.00858582 -0.03419515 0.00291468 -0.01655699 -0.13870293 -0.03867255 -0.01547630 0.00015524 -0.01316113 +C 4.37382928 5.76685849 7.19930603 -0.00335902 -0.00268367 0.00448718 -0.00817436 -0.01482162 0.01600816 -0.00038807 -0.00305381 0.00248360 +H 2.65149680 4.85218119 7.81535988 -0.03201000 -0.00497261 -0.00672384 -0.28338058 0.04243587 -0.08330580 -0.03705014 0.01275598 -0.00871108 +C 5.10617835 6.50173212 6.23753770 0.00064778 -0.00315631 0.00171524 -0.00399120 -0.01381322 0.00087706 -0.00107169 -0.00047594 -0.00186040 +H 4.89888007 5.33756199 8.02102221 -0.03032795 0.00369116 0.00127987 -0.12004062 0.01805039 0.15272840 -0.00745741 0.01203544 0.01720618 +C 4.42562611 6.88012913 5.05395202 0.00202079 -0.00066309 -0.00829409 0.03033299 -0.00713539 -0.04124140 0.00533824 -0.00008931 -0.00531423 +N 6.45138839 6.80671211 6.47874946 -0.00516905 0.00329627 0.00215869 -0.00673718 0.02504834 0.00494750 0.00155380 0.00413142 -0.00176288 +C 3.09647203 6.58259375 4.89968842 0.00446626 0.00366147 -0.00327579 -0.02550582 0.00662433 -0.00481457 -0.00815242 -0.00164646 0.00114120 +H 4.88663822 7.35193857 4.26982109 -0.01217845 0.01500694 -0.01783827 -0.01381539 0.09467417 -0.10774812 -0.00328674 -0.01146331 0.01923603 +C 7.42042179 7.31502358 5.62899686 -0.00040945 0.00845590 0.00030600 -0.04885541 0.05085036 0.03618852 -0.01136312 0.00748147 0.00594100 +H 6.78543641 6.55198752 7.41957363 0.02270589 0.00554486 -0.00098327 0.08126344 0.04915399 -0.07039443 0.00400860 -0.00002720 0.00671239 +O 7.16454089 7.69292478 4.51797103 0.00406487 0.00285515 -0.00621666 0.03397568 0.02264409 -0.05183534 0.00536464 0.00302663 -0.00633739 +C 8.79589164 7.47453486 6.21831997 -0.00393195 -0.00366878 0.00159058 -0.01408882 -0.02292817 0.01280474 -0.00090344 -0.00356716 0.00204581 +H 9.11802055 6.50683710 6.67217770 -0.02195668 -0.00179770 -0.02169205 -0.11659426 -0.07087728 -0.11347810 -0.00897239 -0.02845243 -0.00347389 +H 9.45824971 7.71405964 5.35860641 -0.00719892 -0.02885390 0.00277393 0.01687290 -0.16276002 0.04406214 0.01685358 -0.01143525 -0.00074398 +H 8.87108200 8.26971371 6.96384254 0.04038502 -0.01401750 0.02895508 0.18728067 -0.16049452 0.07250611 0.00935094 -0.02398172 -0.00373245 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03297422 5.62241926 5.75518482 -0.00148948 -0.00532213 0.00095681 -0.01187810 -0.03724195 0.00952438 -0.00013798 -0.00532912 0.00345968 +C 2.31495034 6.03025635 5.99107519 -0.00003214 -0.00177318 0.00167594 0.00448030 -0.01028950 -0.04557614 0.00184470 -0.00153581 -0.00992440 +H 0.67343568 5.71790815 4.85305660 -0.00506325 0.01650541 -0.00855779 0.04711672 0.11224807 0.06114814 -0.00130139 0.02021357 -0.01236438 +C 2.98321967 5.89846937 7.15803531 -0.00677322 0.00097523 0.00239600 -0.02389250 0.01232819 0.05286010 -0.00315350 0.00071248 0.01028003 +H 2.62351805 6.54916360 3.90661410 0.00740576 -0.00804752 0.00997427 0.02640033 -0.07502788 -0.02372907 0.00616398 -0.00841099 -0.00521148 +C 4.31573256 6.39902254 7.38791103 -0.00803667 0.00105424 0.00286071 -0.06206529 -0.01583533 0.00784089 -0.00865243 -0.00337185 -0.00436566 +H 2.46219435 5.39930423 7.94682778 0.02141601 -0.01307055 -0.02066641 0.01738290 -0.10127465 0.06465628 -0.00906784 0.00009374 0.02238403 +C 5.06864562 6.78037851 6.26905800 -0.00127103 -0.00117321 -0.00171943 -0.01984389 -0.00951379 -0.00278097 -0.00346256 -0.00139753 0.00133327 +H 4.80457104 6.21883458 8.40024999 -0.00328844 0.00722357 0.00233351 -0.09472980 0.11045240 -0.06267750 -0.00481392 0.01444324 0.02121576 +C 4.43747384 6.79530181 5.02684557 0.00760690 -0.00189283 -0.00663994 0.03777565 -0.00965355 -0.06167925 0.00200433 -0.00162780 -0.00467664 +N 6.37966359 7.05147793 6.45463601 0.00358811 0.00571650 0.00683897 0.01787478 0.02872952 0.06067149 0.00102843 0.00213195 0.00931370 +C 3.07809370 6.42632088 4.87269953 0.00536044 0.00625016 -0.00059201 0.03440846 0.05117519 0.00553256 0.00296590 0.00720752 -0.00090559 +H 4.95196475 7.10645182 4.05497640 0.00994297 0.00109520 0.00057380 0.07988036 -0.00775936 0.07663162 0.02959104 0.00801192 -0.02250604 +C 7.39785233 7.07367780 5.63817255 0.00134170 -0.00103542 0.00036514 0.01477680 0.01309642 -0.01135767 0.00161472 0.00489982 -0.00078115 +H 6.61713198 7.04140645 7.43467574 -0.01400282 -0.00231854 -0.00275304 0.01481554 0.07508143 0.08095077 0.01598621 0.02272980 0.01454813 +O 7.32575027 6.89052896 4.43999316 -0.00333521 0.00227402 0.00179584 -0.02491196 0.00875358 -0.00000799 -0.00361221 0.00020268 -0.00214854 +C 8.70779683 7.54932499 6.16388245 0.00065950 -0.00156955 -0.00386927 0.02762521 -0.02387985 -0.01235169 0.00548471 -0.00345278 -0.00376981 +H 9.36407735 6.69635413 6.55285697 0.01207955 -0.01515874 -0.03589675 -0.01274681 -0.00107117 -0.26654767 0.01198090 -0.01989426 -0.02403366 +H 9.28837234 8.14473027 5.45316822 -0.01542652 -0.01148583 0.00421695 -0.06390745 -0.05935205 -0.12486675 -0.00490560 -0.00493406 -0.02978631 +H 8.53688630 8.30373320 6.99157103 0.02729189 -0.01575365 -0.02213937 0.16327475 -0.08885615 0.00476036 0.01773376 0.00240119 0.03816062 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92387090 5.82326675 5.78282729 -0.00217592 -0.00297708 -0.00385113 -0.00008383 -0.02590413 -0.01499543 0.00063665 -0.00313714 -0.00243216 +C 2.26046571 6.09061748 6.06347752 -0.00782036 0.00687503 0.00787990 -0.04106305 0.02575809 0.01129744 0.00029279 -0.00172104 -0.00549094 +H 0.69620234 6.18965338 4.97927643 -0.00131608 0.00350379 0.00499128 -0.05839215 0.03899610 -0.00461041 -0.00446044 -0.00785538 0.02591659 +C 2.58576925 7.42276391 6.15406516 0.00209852 0.00127538 -0.00166317 0.02908319 0.02120151 0.00416005 0.00342646 0.00455548 0.00348823 +H 3.01345540 4.16310371 5.53941378 -0.01340252 0.00172685 0.00461088 -0.01663214 0.01278685 0.02179957 0.00628382 -0.01684780 -0.00485769 +C 3.94585758 7.79966082 6.12999655 0.00258462 -0.00565963 0.00008231 0.00751007 0.00478693 0.00642278 0.00170539 0.00395469 0.00084113 +H 1.84836349 8.20493917 6.26246822 0.01264283 -0.00825822 0.01692531 -0.00048253 -0.01004869 0.10711145 -0.00479226 0.00363200 0.00798952 +C 4.99827787 6.94272361 5.90134493 0.00080035 -0.00266684 0.00602285 0.02389094 -0.07089813 0.03270224 0.00512262 -0.00960052 0.00406358 +H 4.14239283 8.84246136 6.32840352 -0.00463414 0.01334828 -0.00997801 -0.00345470 -0.00204491 -0.10509612 0.00740617 -0.00228744 -0.01423403 +C 4.68316077 5.52289725 5.71314142 0.00763557 0.00431192 -0.00012504 0.04280181 0.04831912 0.00333619 -0.00014202 0.00573324 0.00074831 +N 6.30977691 7.40471176 5.91029663 -0.00010816 -0.00020667 -0.00221825 0.00244746 0.00857871 -0.00895958 0.00128939 0.00113575 -0.00022298 +C 3.31077102 5.20254842 5.76061562 0.00415315 -0.00101303 -0.00609836 0.00433691 -0.02096171 -0.03010670 -0.00265177 -0.00009677 -0.00094116 +H 5.45665159 4.73931637 5.54420591 0.02529920 0.00405385 -0.00449664 0.03285506 0.14637717 -0.02468599 0.00606117 0.01180742 -0.00714694 +C 7.53722768 6.85738272 5.87503427 0.00115603 -0.00460636 0.00315793 -0.00584657 -0.05597399 0.00675807 -0.00336938 -0.00405576 0.00001944 +H 6.35261204 8.39421038 5.98230742 -0.00093988 0.00399162 -0.00251087 0.00458949 0.01977603 0.01947907 0.00131021 -0.00616101 0.00641200 +O 7.80240916 5.64223342 5.54529048 -0.00527168 0.00070173 0.00163027 -0.04246211 0.02650883 0.02180178 -0.00604795 0.00364075 0.00381602 +C 8.65071403 7.79998043 6.21155585 -0.00240755 0.00390793 -0.00359722 0.00909349 0.02942843 -0.02625715 -0.00048888 0.00297170 -0.00350429 +H 9.47455052 7.31079948 6.83562462 -0.00179299 -0.01609644 -0.00013680 -0.11937308 -0.04905016 -0.12804827 0.00474565 -0.01448548 -0.00933280 +H 9.09827522 8.20606723 5.25610593 -0.00013210 -0.00083602 -0.01759997 -0.03060548 -0.07335539 0.01323941 0.00688997 -0.00388015 -0.00981342 +H 8.34814996 8.66938979 6.77979027 0.00627414 0.00866410 0.00683529 0.00097817 0.00628772 0.01822623 -0.00188775 -0.00844316 -0.00455656 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04238306 5.73924694 5.72012605 -0.00784912 -0.00160854 -0.00172061 -0.03472810 -0.00657173 -0.00796219 -0.00169724 0.00038184 -0.00030745 +C 2.33767282 6.20282094 5.90784308 0.00347685 -0.00244427 0.00031948 -0.01105098 -0.06169122 -0.01149255 -0.00592558 -0.00981995 -0.00275645 +H 1.02831370 4.83771996 5.49131264 -0.00024325 -0.02492151 0.00697186 -0.04661471 -0.00816463 0.08597853 -0.01454253 0.00541777 0.01408301 +C 2.66082341 7.51869651 6.03997907 0.00710820 0.00075237 -0.00360978 0.03085592 0.03258183 -0.01056553 0.00090088 0.00328386 0.00047708 +H 3.02094235 4.20996025 5.66952697 0.02553577 -0.00343382 0.01330612 0.14853345 -0.13569265 0.10035388 0.01645554 0.00251431 0.01989579 +C 3.98179090 7.89261278 6.19753777 0.00123381 0.00427300 0.00175346 0.03337436 0.02726917 0.01453940 0.00682193 0.00190279 0.00145678 +H 1.95948473 8.33765309 6.10661271 0.00480451 0.01310155 0.01828504 -0.01768523 -0.04424662 0.05369652 -0.01244542 -0.01428283 -0.00568353 +C 4.97722626 6.88032262 6.09335006 0.00256225 0.00236648 0.00292114 0.03255928 0.04077525 0.01557296 0.00498944 0.00674764 0.00029748 +H 4.25140680 8.93372998 6.43040369 -0.00429169 0.03070527 -0.00945444 -0.06468844 0.01009520 -0.11452979 -0.00219742 -0.00149338 -0.01291073 +C 4.68296403 5.54458377 5.84239476 -0.00037485 0.00370920 -0.01142575 -0.00898597 0.01865359 -0.06204668 -0.00033738 0.00235868 -0.00499020 +N 6.27971135 7.34631149 6.24147290 0.00078547 0.00119332 -0.00105575 0.01096769 0.01426681 -0.01591535 0.00181290 0.00197703 -0.00366576 +C 3.33166800 5.19471828 5.82890071 0.00091813 -0.00512826 0.01021013 0.00562221 -0.02291014 0.05775604 0.00101413 -0.00544155 0.00513869 +H 5.40931006 4.78896232 5.74397527 0.00359820 -0.00629607 -0.00280802 0.02016002 -0.00232503 -0.03894251 -0.01069448 0.01716397 -0.00900890 +C 7.46242979 6.84603802 5.79576103 -0.00291225 -0.00030741 -0.00848689 -0.02608301 -0.01141938 -0.04609720 -0.00225115 -0.00071099 -0.00299444 +H 6.35752093 8.29038451 6.59363558 -0.02073414 0.00839448 0.02059625 -0.07804351 -0.06015874 0.10135887 0.00766870 -0.01075453 0.01147468 +O 7.61051593 5.71498038 5.26334784 -0.00329082 -0.00292117 -0.00136859 -0.02207977 -0.00176972 -0.00611905 -0.00305602 0.00161433 -0.00095851 +C 8.63279408 7.75802352 6.08462319 -0.00057400 0.00088361 0.01345067 0.01976592 -0.01541162 0.06437299 0.00078222 -0.00151030 0.00493406 +H 9.61048622 7.32324036 5.74225246 0.03139135 0.00844938 -0.02392233 -0.06652292 0.09258015 0.02827706 -0.00748464 -0.00413668 0.02454821 +H 8.54332504 8.71206649 5.67011195 0.01861613 -0.01859889 -0.02294741 0.04390934 -0.03534002 -0.15702064 -0.00546102 -0.02221281 0.00675631 +H 8.67352162 7.90565803 7.14145753 -0.02907206 -0.00099731 0.00251855 -0.09607970 0.02389105 0.12286686 0.00752449 0.00663741 0.00325304 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97701381 5.77657761 5.93179927 -0.00195080 0.00249162 0.00004336 0.00086402 0.02047233 -0.00412117 0.00286242 0.00231963 -0.00118055 +C 2.30733552 6.11259615 5.82009258 0.00903589 -0.00629932 -0.00563081 0.00488154 -0.05610348 -0.02027442 -0.00901676 -0.00547850 -0.00145232 +H 0.71475357 4.83981057 5.88740809 0.03148363 0.00906265 -0.00876385 0.21813715 -0.00907471 -0.03922880 0.01886984 -0.01095754 -0.00130472 +C 2.64150181 7.35242084 5.39776247 -0.00852150 -0.00044528 -0.00008272 -0.05288566 0.01372597 -0.02320267 -0.00190216 0.00157358 -0.00431156 +H 3.02026248 4.21983041 6.56030754 -0.00422925 -0.00372992 -0.00071641 0.00497778 -0.01641047 0.00705620 0.00343325 -0.00743719 0.00622178 +C 3.95522723 7.74923670 5.26911737 -0.00159449 -0.00004863 0.00290084 0.00470907 0.00568810 0.02949470 0.00096173 0.00304335 0.00451582 +H 1.78459239 7.95422529 4.98641423 0.00657571 0.00460520 0.01820043 0.02809469 0.12623672 0.14280589 -0.01968806 0.03833616 0.01083441 +C 4.99730193 6.92830872 5.75188232 0.00290530 0.00075228 0.00561165 0.02204721 0.02103422 0.01150355 0.00310195 0.00457029 -0.00261177 +H 4.21389772 8.68069595 4.83222709 0.00240361 -0.00255058 0.00290036 -0.03213275 0.05562461 0.04034587 -0.01192154 0.00364508 0.01642383 +C 4.61703372 5.60383240 6.08901106 0.00025267 -0.00104830 -0.00171460 0.02600432 0.01077912 0.00641346 0.00594026 0.00283066 0.00474540 +N 6.32182216 7.47518363 5.66895398 0.00473154 0.00416052 -0.00495972 0.02150729 0.00953125 -0.02575514 0.00145849 -0.00005938 -0.00252235 +C 3.29529497 5.21323200 6.21439503 -0.00365241 -0.00202399 0.00096815 -0.01337567 -0.02935619 -0.00045193 0.00269985 -0.00566712 -0.00150253 +H 5.43481124 4.93893637 6.31950715 -0.00929878 0.03499715 0.01692176 -0.00051700 0.00580898 0.17241025 -0.00011342 -0.02302515 0.02203327 +C 7.49240966 6.96762297 6.11619221 0.00147773 0.00033264 -0.00383925 0.00070721 -0.04567828 -0.01274121 -0.00116682 -0.01026861 -0.00086389 +H 6.39950121 8.34625552 5.19811343 -0.00068034 0.00028849 0.01779778 0.01447355 0.10058950 0.06181176 0.00435397 0.00048356 0.00970214 +O 7.56792563 5.88796347 6.72209133 -0.00259083 0.00054062 0.00519437 -0.02474589 0.01145650 0.03321530 -0.00418335 0.00178725 0.00468052 +C 8.83164448 7.56527021 5.86490691 -0.00172110 -0.00306456 -0.00175375 -0.01061966 0.01817032 -0.04684658 -0.00008248 0.00695958 -0.00401133 +H 8.71993884 8.63749728 5.79710592 0.00832594 -0.00248674 0.03021886 0.03425895 0.02956196 0.17498379 0.00315584 0.00479432 0.01029062 +H 9.49525549 7.40157648 6.66379897 -0.01035842 0.00231245 -0.04976157 0.12983647 -0.11059590 -0.04577997 0.00827130 -0.02351319 -0.00207902 +H 9.35632026 7.30667240 4.88259576 0.00377511 -0.00729747 0.00117570 -0.09612326 -0.08528384 0.05023018 -0.01204430 -0.01764960 -0.02718092 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03906009 5.62279640 5.69024682 -0.00442932 -0.00361158 0.00063727 -0.01500239 -0.02273420 0.01400471 0.00096940 -0.00057997 0.00268733 +C 2.30470393 6.16458253 5.85880257 0.00743285 0.00210270 -0.00180463 0.00143891 -0.01503017 -0.02321670 -0.00774212 -0.00631399 -0.00429327 +H 0.88821700 4.75162909 6.03872114 0.00507482 -0.03620596 -0.01313943 0.09717667 -0.04472515 -0.13650268 0.01708054 -0.01170462 -0.01522116 +C 2.71020410 7.18416458 4.99851216 -0.00373958 0.00243968 0.00081919 -0.02075426 0.01277996 -0.00546253 0.00266390 0.00149155 -0.00135791 +H 2.82767506 4.79300858 7.41560616 0.01824487 -0.00186367 0.02828346 0.16725140 0.02842948 0.01861070 0.01615074 -0.00295839 -0.01545228 +C 4.05830889 7.52310341 4.96115826 0.00258271 0.00342579 -0.00688061 0.02819195 0.04215854 -0.05208365 0.00270515 0.00548766 -0.00513430 +H 1.91274750 7.55926710 4.30185242 -0.00317459 0.00301324 -0.00489470 0.09597268 0.06976206 0.01315977 0.00057817 0.02373617 -0.01222003 +C 5.05584726 6.94353409 5.75927084 0.00063682 0.00975233 0.00546710 -0.02364836 0.04257109 0.04530491 -0.00718891 0.00211262 0.00667980 +H 4.40616296 8.31138762 4.27046050 0.02345431 -0.01013326 -0.01368964 0.04752882 -0.07395258 -0.10414662 -0.00349700 0.00588877 -0.02725302 +C 4.61372816 5.89075196 6.64280012 0.00062172 0.00002400 0.00266242 -0.01579795 0.01388589 0.01930862 -0.00441886 0.00442657 0.00107739 +N 6.35249385 7.45385602 5.63729231 -0.00133880 -0.00478311 0.00344837 -0.01285548 -0.03193885 0.02098960 -0.00292197 -0.00613583 0.00358063 +C 3.21369930 5.51674976 6.69824823 -0.00365771 0.00240877 -0.00332538 0.01799660 0.01962532 -0.00247866 0.00864947 0.00385479 0.00195050 +H 5.25762940 5.46652441 7.42042466 0.00590447 -0.03201884 -0.01302006 0.02286777 -0.17439540 -0.18941680 0.00362644 -0.01456468 -0.02812069 +C 7.45979752 6.84175909 6.02435572 0.00006945 0.00380139 -0.00119725 0.01062795 0.01177909 0.02900897 0.00112260 -0.00202082 0.00991046 +H 6.55731959 8.38511117 5.21908365 -0.00400356 0.00601472 0.00413955 -0.13990431 -0.07069790 0.03473016 -0.02193169 0.00757135 -0.00914131 +O 7.51822264 5.80018967 6.67714159 0.00501885 -0.00421444 0.00410152 0.03665296 -0.02122152 0.01448878 0.00542712 -0.00103475 -0.00026236 +C 8.70464342 7.71334190 5.89165262 -0.00910466 -0.00021915 -0.00485935 -0.05030667 -0.00715762 -0.01366676 -0.00215910 -0.00084070 -0.00179868 +H 8.49290269 8.38505338 5.05699682 0.00091785 -0.00638290 0.01447284 0.09491753 0.07030870 -0.00811666 0.01555037 0.01490354 -0.00697451 +H 8.75177859 8.24485077 6.84869490 0.03486906 0.00372116 0.00790311 0.20887881 0.00462802 -0.09620918 0.02209246 -0.00378064 -0.02259845 +H 9.62279796 7.15750851 5.83178997 -0.01057528 -0.01828880 -0.02453425 -0.13707758 -0.10504860 -0.23687490 -0.03469562 -0.00588096 -0.03507866 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96463397 5.80526220 5.81254182 -0.00908641 0.00282164 0.00122611 -0.05090207 0.01246987 0.00282341 -0.00312406 0.00233393 -0.00002385 +C 2.30042596 6.08613864 5.82032522 0.00275444 0.00152509 -0.00003801 -0.01475144 0.03993206 0.00945535 -0.00969384 0.00795199 0.00264069 +H 0.62522196 4.95309129 5.45786841 0.02081161 -0.00636773 -0.00321528 0.20919986 -0.01905944 -0.00004920 0.02230850 -0.02225007 -0.00576314 +C 2.61336284 7.44895448 6.13545292 -0.00033152 -0.00301289 -0.00023110 -0.00974314 -0.01294708 0.02013818 -0.00184754 0.00080124 0.00594654 +H 3.04065995 4.08451600 5.45449377 0.01775267 0.03012841 -0.01264449 0.09438692 0.05966352 -0.14658032 -0.00261331 -0.02243743 -0.02668511 +C 3.96367000 7.85259008 6.36853973 -0.00171643 -0.00729695 0.00005897 -0.01623429 -0.05415836 -0.02157311 -0.00130613 -0.01055517 -0.00643796 +H 1.80199582 8.08156563 6.33243142 -0.02558208 0.03938488 0.01773099 0.08333038 0.08144980 0.00145820 0.04110572 -0.01860721 -0.01576243 +C 4.99411705 6.91071318 6.12340509 0.00682119 0.00294400 -0.00076589 0.04922545 0.00445911 -0.01185391 0.00366693 -0.00405549 -0.00297763 +H 4.15589819 8.95203379 6.57784708 0.00343708 -0.01255039 -0.01768455 0.02716326 -0.14082001 -0.04901045 0.00733167 0.01260514 0.01078699 +C 4.65792118 5.57098797 5.75908424 0.01095884 -0.00354246 0.00296708 0.06016438 -0.01807149 0.01836287 0.00360081 -0.00157187 0.00189316 +N 6.34204510 7.37884634 6.21945493 -0.00227894 -0.00141897 -0.00314286 -0.02180059 -0.01085153 -0.01599737 -0.00194495 0.00072377 0.00017732 +C 3.33255816 5.15238811 5.63249626 -0.00848610 0.00338545 -0.00171950 -0.03197117 0.03251272 -0.00595344 0.00400145 0.00669442 -0.00011359 +H 5.40911800 4.83397596 5.57541672 0.01128875 -0.00832360 -0.00427128 0.07748872 -0.02609585 0.00023937 0.00254419 0.00629157 0.00578403 +C 7.50788590 6.86868970 5.78105155 0.00334608 -0.00040985 0.00632847 0.00880290 0.01865747 0.05587663 -0.00041566 0.00183899 0.00643010 +H 6.43754108 8.23212775 6.73853265 -0.01634400 -0.02257470 0.00602221 -0.07063831 -0.02286676 0.04868960 -0.00337781 0.00410738 -0.00214723 +O 7.60638121 5.82348394 5.25301743 0.00347114 -0.00101424 0.00114109 0.03007345 -0.02780195 -0.00497893 0.00493671 -0.00465098 -0.00117024 +C 8.74089032 7.70891067 6.08499758 0.00227737 0.00182645 -0.00728849 0.00977014 0.03040395 -0.03239084 -0.00203521 0.00448015 0.00053460 +H 9.68360949 7.15623942 5.94118232 -0.01376644 -0.00398514 -0.00124258 -0.04134771 -0.04579878 -0.05129492 0.00801408 -0.00007258 -0.01329739 +H 8.84022776 8.62981864 5.42703798 -0.03190594 0.02126088 0.01432778 -0.21795646 0.02742951 0.10388932 -0.01918008 0.01219939 -0.00751119 +H 8.79155141 8.03321727 7.10778087 -0.03106758 0.00864594 0.01528076 -0.18659409 -0.00578047 -0.03287038 -0.00986662 -0.01165742 -0.02323938 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92727682 5.92229835 5.89778444 -0.00149827 0.00106014 -0.00137442 0.01343215 0.00267028 -0.01224396 0.00563483 -0.00115810 -0.00023753 +C 2.33655874 5.95166984 5.96082792 0.00398054 -0.00529165 -0.00985100 -0.01530566 -0.03760046 -0.05349374 -0.00549191 -0.00434561 -0.00351598 +H 0.51579726 6.17824526 5.04781550 0.00093845 0.00095597 -0.01264546 0.07506705 -0.00859608 0.00117831 0.00192993 0.00706851 -0.02212629 +C 3.02454134 5.45615529 7.08289033 -0.00279782 0.00391889 0.00092414 0.02784074 0.04930052 -0.00704995 0.00782767 0.00856643 -0.00507784 +H 2.45341267 7.02271894 4.11288163 0.01779145 0.00374653 -0.00285021 0.09430919 0.02053042 -0.04818603 0.00416567 0.00348026 -0.00734198 +C 4.43009837 5.76878714 7.13374929 0.00717534 -0.00140886 0.00674649 0.01542604 -0.02139406 0.04727660 -0.00225796 -0.00293704 0.00628560 +H 2.61108167 5.04479212 8.04229681 0.00484835 -0.00746426 -0.02817980 -0.12037954 -0.10840724 -0.20615849 -0.03348723 -0.02044235 -0.01317165 +C 5.14334063 6.42485605 6.12406523 -0.00104913 -0.00009975 0.00369233 -0.01727859 0.00714024 0.02094163 -0.00205438 0.00167694 0.00335863 +H 5.00008356 5.47403468 8.01891502 -0.00592154 0.01993119 -0.00219955 -0.02628822 0.07136631 0.10913243 -0.00212384 -0.00320858 0.02697535 +C 4.40499550 6.82895576 4.95421719 -0.00854050 -0.00506398 -0.00523980 -0.01197519 -0.02622548 -0.00301340 0.00462090 -0.00288458 0.00531211 +N 6.45465897 6.75758504 6.47744578 0.00529773 -0.00263627 0.00834542 0.02891681 -0.02203633 0.03284596 0.00267103 -0.00340767 0.00040418 +C 3.02837246 6.58648326 4.91397301 0.00280768 0.00827785 0.00716934 -0.00070312 0.05869427 0.03018951 -0.00354379 0.00751025 0.00049187 +H 4.89092191 7.47553349 4.22098456 -0.01128261 -0.00045189 -0.02050976 -0.13523540 -0.12562172 -0.10754676 -0.01076049 -0.02486025 -0.01486690 +C 7.39388314 7.27750248 5.68908686 0.00604703 -0.00239098 0.00292746 0.01585549 0.01114106 -0.00811964 -0.00260562 0.00491896 -0.00489985 +H 6.71570248 6.57131844 7.43599478 0.00344598 -0.00408928 -0.00236733 0.06896646 -0.05912282 0.03062557 0.01222161 -0.01062422 0.00200923 +O 7.19294021 7.73594936 4.56415573 -0.00781827 0.00096372 -0.00272028 -0.05306227 -0.00454458 -0.01100507 -0.00701544 -0.00223435 -0.00010047 +C 8.74624656 7.52748652 6.23387742 -0.00264092 0.00452787 -0.00357263 0.02335555 0.01018074 -0.01492952 0.00483638 -0.00171156 -0.00060511 +H 9.11140564 6.71326113 6.91279848 -0.00460261 -0.01058173 -0.01278769 -0.09712791 -0.01199923 -0.10310953 -0.01078237 -0.01257475 0.00497540 +H 9.51243062 7.57705642 5.38252235 0.01872445 -0.00673521 0.00804862 0.00565989 -0.01114040 0.11833195 0.01588035 0.00749142 -0.01103920 +H 8.82328222 8.50119440 6.81478766 -0.00905307 -0.02022533 -0.01080475 -0.08123245 -0.04156822 -0.02230458 -0.00811035 0.02625216 0.01825498 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01284758 5.74384217 5.93333125 -0.00595341 0.00290781 -0.00304356 -0.03961589 0.02154716 -0.02033170 -0.00553184 0.00143088 -0.00423481 +C 2.31248029 6.11118190 5.90304537 0.00185835 0.00323937 0.00985423 -0.01036457 -0.00342761 0.04564064 -0.00432614 -0.00701247 0.00063672 +H 0.80292383 5.10005003 5.32201467 -0.00676739 0.00321029 0.01255201 -0.05239866 -0.06659796 0.02085129 0.00346198 0.01021114 0.02080169 +C 2.57497747 7.33200069 6.54175455 -0.00102423 -0.00300561 -0.00066853 0.02093330 -0.03172131 -0.01181713 0.00310044 -0.00178800 0.00039582 +H 2.99943144 4.45725464 4.65311501 0.04393442 0.01840666 0.00182114 0.19619191 -0.04466943 -0.04295220 0.00332317 -0.01869866 -0.00652207 +C 3.93869328 7.64936339 6.56557212 -0.00423853 -0.00633018 -0.00387639 -0.01017419 -0.00468705 -0.00543744 0.00492873 0.00864863 0.00394807 +H 1.85655617 7.94026607 6.95027694 0.00785401 0.00835775 -0.00258291 -0.01591309 0.03876514 0.03816546 0.01844206 -0.02583345 -0.00703267 +C 4.99448903 6.93181439 5.98322245 0.00219910 0.00068006 0.00388712 0.01528653 -0.00735115 0.01134916 -0.00037607 -0.00293424 -0.00051794 +H 4.12847634 8.48105496 7.07413222 0.01798534 0.00767007 -0.00431657 0.11087870 0.09810015 -0.01992006 -0.00787256 -0.02646642 -0.02543322 +C 4.68156768 5.78290986 5.23665574 0.00412608 -0.00132061 -0.00133258 -0.00900863 -0.01428740 0.00472593 -0.00406361 -0.00138246 0.00304829 +N 6.29731436 7.47305245 6.03617332 -0.00315011 0.00315833 0.00257603 -0.02488505 0.02375263 0.01850957 -0.00150614 0.00550814 0.00268115 +C 3.29795594 5.34749866 5.22285461 -0.00197972 -0.00400261 -0.00430266 0.01917998 0.00682193 -0.01329575 0.00588819 0.00487662 0.00083109 +H 5.43953295 5.19810341 4.72379131 0.00857644 0.01054867 0.01215672 0.05537141 0.03738292 0.02829855 -0.00111494 -0.00150093 -0.00394256 +C 7.49133130 6.85846645 5.88078264 -0.00613214 0.00797897 -0.00648549 -0.01089993 0.03573526 -0.03410209 0.00281381 -0.00248540 -0.00252582 +H 6.26149314 8.40820467 6.31652680 0.00640484 0.00240855 0.00767148 0.11211031 0.06372040 0.01096688 0.01370094 -0.01036177 -0.01068503 +O 7.60876730 5.65372490 5.89110675 0.00344856 -0.00853766 0.00234281 0.02144619 -0.04431879 0.01011166 0.00217503 -0.00102954 0.00029930 +C 8.79885465 7.73978437 5.77334388 0.00226103 0.00370551 -0.00082030 -0.00293593 0.00399849 -0.01227172 -0.00342046 0.00247951 -0.00250502 +H 8.70686143 8.54785304 6.43324913 0.01100040 -0.02377959 -0.00540351 0.06268261 0.05154487 0.09878358 0.00711106 0.00208322 0.00209406 +H 9.76701420 7.24673944 5.98140923 0.01109461 0.00671307 -0.00477872 -0.05878904 -0.03327587 0.00029300 -0.01626161 -0.02318235 0.00632051 +H 8.88852768 8.10615690 4.78808706 0.01836093 0.00067507 0.00282601 0.08086562 0.06416782 -0.04826259 -0.00073764 0.00604659 0.01015134 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99938834 5.82781915 5.91196653 -0.00686994 -0.00283305 0.00657320 -0.05927898 -0.01882943 0.03059105 -0.00956052 -0.00256057 0.00423365 +C 2.29584286 6.09169510 5.76130901 -0.00449702 -0.00193766 -0.00176784 -0.01069597 -0.01635180 -0.01640445 0.00114122 -0.00210356 -0.00396964 +H 0.73431264 5.59147063 6.77644551 -0.01475053 0.03044960 -0.00993068 -0.11050484 0.17283004 0.08815865 -0.00216766 0.02427093 -0.00483178 +C 2.77459003 6.55481146 4.54629783 0.00650957 0.00385503 -0.00554376 0.05535135 0.04900525 -0.03759981 0.00624137 0.00776043 -0.00193093 +H 2.70240118 5.17433905 7.53701662 -0.01049361 -0.02236398 -0.00836750 0.13035049 0.01544366 0.07325249 0.03601291 0.02670097 0.02640256 +C 4.15361328 6.91729655 4.44232413 0.00355796 -0.00543412 -0.00204470 0.04703386 -0.02006516 -0.00798182 0.00850356 0.00013342 -0.00064458 +H 2.19354668 6.85711630 3.67627713 -0.00245620 0.01933251 0.00129621 -0.06927112 0.01321618 0.06572737 -0.01147778 -0.00857900 0.00602572 +C 5.08144501 6.79398022 5.54557683 -0.00107094 -0.00174916 -0.00311027 -0.02958056 -0.03807141 -0.01114214 -0.00421277 -0.00892372 0.00089329 +H 4.53845829 7.38202999 3.53109603 0.01547995 0.02390015 0.01442689 0.03001317 0.07893727 0.07922088 -0.00000350 0.00198486 -0.00472654 +C 4.52132697 6.17632322 6.70452289 0.00040820 -0.00384036 -0.00001387 0.02373156 -0.02456186 0.00311214 0.00159094 -0.00314458 0.00046202 +N 6.44773753 7.11204028 5.43226685 -0.00322856 -0.00153037 -0.00146391 -0.03576000 -0.01199121 -0.00883475 -0.00610630 -0.00227745 0.00073431 +C 3.18247574 5.79469088 6.80179409 0.00238729 0.00356444 0.00176938 -0.01308412 0.00966038 -0.00153458 -0.00383326 -0.00074450 -0.00227757 +H 5.25762323 5.90947465 7.49178878 -0.02796029 0.00620023 0.02187444 -0.22846083 0.03369643 0.15799256 -0.00848940 0.00234671 0.02727342 +C 7.45167972 7.04748703 6.32114645 0.00035790 0.00385100 0.00151220 -0.01577270 0.01363908 0.00938489 -0.00417478 0.00136431 -0.00156740 +H 6.69340018 7.43876574 4.49491808 0.00489798 -0.01926723 -0.00638775 0.04511133 -0.09006382 0.01342356 0.00622982 -0.00164807 -0.00357099 +O 7.45477688 6.50795121 7.45682987 0.00538255 0.00215047 -0.00314451 0.03195636 0.02254760 -0.03196886 0.00315186 0.00355684 -0.00457955 +C 8.65359456 7.67883654 5.77928079 0.00329589 0.00005977 0.00386495 0.04091450 0.02141003 0.02040357 0.00803220 0.00409529 0.00444714 +H 8.65530176 8.75489141 5.94032692 0.01348358 0.00527639 0.02682980 0.05072590 -0.01482515 0.15227763 0.00563718 -0.00605117 0.01908778 +H 9.51877089 7.36268902 6.31576843 -0.01955473 -0.01767118 -0.00378213 0.02167086 -0.21575253 -0.00006735 0.00622015 -0.02699566 -0.01503752 +H 8.81180511 7.45916229 4.70628646 -0.02063796 0.02567863 -0.00648040 -0.10557737 0.17770690 0.01227254 -0.00373264 0.02242802 -0.00067153 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99284291 5.84543147 5.82069735 -0.00523493 -0.00397980 0.00035601 -0.01870926 -0.01971989 -0.01745369 -0.00088245 -0.00232125 -0.00234750 +C 2.35555065 6.02323868 5.92475604 -0.00360319 0.00491350 -0.00794478 -0.05879370 0.02820167 -0.00812645 -0.00634116 0.00397637 0.00367058 +H 0.87988200 6.03111028 4.87764886 0.01811416 0.01077645 -0.01720966 -0.06189183 0.00424540 0.03874642 -0.03995816 0.00002900 -0.01721292 +C 2.89376118 6.00293047 7.23066577 0.00231544 0.00213342 0.00309907 0.05778250 0.01803600 -0.00565116 0.00858988 0.00196858 -0.00184355 +H 2.68108628 6.35133791 3.77555374 0.00114874 0.01691611 -0.00011762 -0.02908359 0.04542248 -0.01570206 -0.00065455 -0.00419665 -0.00888917 +C 4.30835671 6.17655157 7.36899808 0.01324145 0.00064927 0.00337197 0.06144121 0.01143941 0.01244969 0.00324109 0.00113842 0.00079984 +H 2.35556307 5.89545103 8.09913024 0.00824755 -0.00437922 -0.00830503 -0.07109396 -0.08851120 0.02350524 0.01020938 -0.01063054 -0.02751480 +C 5.10119951 6.51014542 6.24199001 0.00366695 0.00026107 0.00142423 0.02007884 -0.01409967 0.01612184 0.00023907 -0.00408794 0.00268512 +H 4.79899141 6.20592747 8.34499153 0.01365043 -0.03324335 -0.00967657 0.04901479 -0.22991004 0.00353181 0.00096421 -0.02372447 0.00751059 +C 4.50251787 6.46965530 4.96468438 -0.00198993 0.00148499 0.00655978 -0.03811558 0.00996042 0.02556139 -0.00257808 0.00230719 -0.00036079 +N 6.47818447 6.68253510 6.45789339 -0.00455760 0.00016521 0.00419804 -0.01993915 -0.00686123 0.03275224 0.00058055 -0.00078560 0.00301284 +C 3.06784775 6.27362636 4.79430060 0.00080545 0.00047405 -0.00983335 0.05497710 0.01331356 -0.05609431 0.00761538 0.00245220 -0.00260188 +H 5.02904733 6.55754398 4.05122236 0.00874778 -0.00020369 0.01694847 0.09841422 0.05699730 0.08436496 -0.00277169 0.01091135 0.01672329 +C 7.40412404 7.23426122 5.65828605 -0.00067369 0.00079280 0.00022846 -0.01739150 0.01287466 -0.00892283 -0.00443098 0.00193682 -0.00033469 +H 6.76533956 6.26172896 7.33151198 -0.01577933 -0.00703486 0.01816204 -0.02093431 0.07405766 0.04303149 0.01332636 0.02126285 0.00713696 +O 7.10133212 7.69409804 4.54672849 -0.00841028 -0.00504659 -0.00129168 -0.04965430 -0.03663485 -0.00394399 -0.00535112 -0.00494733 -0.00029950 +C 8.84669606 7.42955649 6.12113655 0.00328629 0.00203768 0.00143341 0.01588465 0.01396688 0.01222180 0.00141734 0.00181254 -0.00254989 +H 8.80351043 7.91596034 7.16136735 0.01612117 0.02097873 -0.02000124 0.14213182 0.07964523 -0.12037740 0.02042778 0.01706845 0.02164958 +H 9.48701367 6.54223760 6.12803379 0.00825575 -0.00675409 -0.00405422 -0.04360004 -0.00324685 -0.00151315 -0.01613384 -0.00130305 0.00777111 +H 9.25891162 8.17168803 5.46602679 0.01825457 -0.00797120 0.00056396 0.15690035 -0.06530765 -0.02285267 0.01308553 -0.02021311 -0.00064930 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99244852 5.83723162 5.69933858 -0.00468562 0.00131843 -0.00103752 -0.03103904 0.00670680 0.00471141 -0.00192655 0.00012132 -0.00030964 +C 2.34405534 5.98938332 5.78970978 0.00042900 -0.00105917 0.00440410 0.00656697 -0.01580228 0.00383547 -0.00060279 -0.00237400 -0.00234231 +H 0.54625383 6.01572549 6.53667747 -0.03131312 -0.00956558 0.00913719 -0.11965785 -0.06289857 -0.08760990 -0.02131208 -0.00023776 0.00661157 +C 3.22097733 5.16000368 5.03678323 -0.00330009 -0.00192140 -0.00150579 -0.02937874 -0.01282988 -0.00048458 -0.00384985 -0.00446356 0.00020074 +H 2.19547220 7.56157998 7.07089251 0.01006918 -0.01072341 -0.00332404 0.07184455 0.14721949 0.02298562 0.03080229 0.02645172 -0.01363949 +C 4.62061702 5.28617554 5.07367460 0.00092289 0.00028661 -0.00324196 -0.01430148 -0.00095273 0.00746592 -0.00413442 0.00004574 0.00539158 +H 2.71110161 4.39694352 4.48442616 0.01172633 0.00438098 0.02260762 0.05998500 -0.14534813 0.02981847 0.00878434 -0.02241235 -0.00270902 +C 5.14244884 6.32190588 5.83760408 -0.00197660 0.00336764 0.00080811 0.00268862 0.02375455 -0.01541098 0.00303127 0.00220894 -0.00562575 +H 5.26611370 4.49465375 4.72086329 0.02582988 0.00930829 0.03251027 0.08771187 0.07523578 0.01277305 -0.01052706 0.01058190 -0.02832173 +C 4.31291310 7.23686361 6.53914778 0.00137631 -0.00331690 0.00332567 -0.01018686 -0.02322942 0.00941588 -0.00138248 -0.00190944 -0.00146297 +N 6.48900454 6.46266645 5.60877041 0.00298049 0.00451152 -0.00128224 0.03431387 0.03087000 -0.00372403 0.00429090 0.00449399 0.00154415 +C 2.89249890 7.03115720 6.51088026 0.00443646 0.00164443 -0.00428828 0.03961046 0.00672220 -0.01218788 0.00261405 0.00170030 0.00261839 +H 4.67421311 8.09824723 7.08001057 0.01148753 0.00822560 -0.04094892 0.03931468 0.05865312 -0.18058517 -0.00914824 0.00265221 -0.00570533 +C 7.34422546 7.39990195 6.11258675 -0.00221086 -0.00653769 0.00643406 -0.00904810 -0.04975141 0.03874732 0.00177047 -0.00434435 0.00506176 +H 6.84229280 5.75799885 4.92746210 0.02553750 -0.00512364 0.01399108 0.18253439 0.06539884 0.14665955 0.03087306 -0.00196532 0.00395599 +O 6.96030728 8.17794261 6.96526429 -0.00415935 -0.00075689 -0.00065708 -0.01737879 0.00336344 0.00088506 -0.00062123 0.00116672 0.00077151 +C 8.81295841 7.42710402 5.65100831 0.00325789 0.00140847 -0.00225409 -0.00064508 0.00424608 -0.01968533 -0.00562035 0.00130988 -0.00294848 +H 9.02610450 8.50607128 5.55812019 0.00591916 0.01216388 0.00980073 0.13306229 -0.05679920 0.10836300 0.02906637 -0.01515711 0.02142839 +H 9.44284806 6.86259672 6.42828910 -0.00051978 -0.02346570 -0.02051883 -0.00514677 -0.04302312 -0.20749532 0.02070418 -0.01337570 -0.01129120 +H 8.91960473 6.93447020 4.65181271 0.00526154 0.01621506 -0.02241206 0.01710901 0.18115663 -0.02135311 -0.00103069 0.02382899 -0.00975750 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00832557 5.85676122 5.64501016 -0.01001905 0.00303479 0.00046653 -0.06555512 0.02472564 0.00500049 -0.00674232 0.00372295 0.00117816 +C 2.30029886 6.19708598 5.84314197 0.00103486 -0.00611522 0.00039894 -0.00530026 -0.04742122 0.00897349 -0.00338528 -0.00392365 0.00280582 +H 0.82300516 4.94443780 5.35004811 0.01171044 0.00837766 0.01439381 0.07215725 -0.00682087 0.08257717 -0.00050887 -0.01494328 0.00634921 +C 2.66006894 7.41943880 6.30723777 -0.00196716 0.00076601 -0.00115373 -0.02597943 0.03617544 0.00119209 -0.00433629 0.00543366 -0.00009798 +H 3.12272913 4.27986045 5.16413444 0.00102030 0.00102241 -0.00367669 -0.05499992 0.01756654 0.08940609 -0.01671854 -0.02770733 0.01251046 +C 3.99984665 7.81961031 6.43128109 -0.00210803 -0.00157254 -0.00400169 -0.01768656 -0.01009556 -0.02132121 -0.00288063 -0.00343766 -0.00256996 +H 1.86916197 8.11451494 6.57485098 -0.00855131 0.01537610 0.00311281 0.01647552 0.04817076 -0.03285082 0.00008246 0.00796693 -0.00774922 +C 5.00998272 6.87371991 6.11604450 -0.00260848 0.00071977 0.00003746 0.01079457 0.01604358 0.01282158 0.00335545 0.00134882 0.00276660 +H 4.18621462 8.86713083 6.77968231 -0.00401672 0.00485822 0.00948614 0.01323139 -0.10468918 -0.00733177 0.01232904 0.00273083 -0.00021835 +C 4.74577419 5.57461274 5.78027772 0.00600777 -0.00096257 -0.00390081 -0.04013958 -0.02096749 -0.03788185 -0.01155802 -0.00385915 -0.00618866 +N 6.31190660 7.30595017 6.18568884 0.00126692 0.00227333 0.00848902 -0.01149672 0.03357690 0.05789518 -0.00402293 0.00764317 0.00780699 +C 3.31655800 5.27038184 5.65043544 -0.00395659 0.00009387 0.00036234 0.03157014 -0.02958947 -0.02479642 0.00912199 -0.00609270 -0.00601473 +H 5.45783564 4.85651832 5.48160919 0.00422278 -0.00741772 -0.00042642 0.02753194 -0.04756094 0.03651118 -0.01524697 0.00912501 0.01353271 +C 7.48059533 6.80282432 5.81495179 -0.00436004 0.00308163 0.00413137 -0.01661670 -0.00847696 0.02640824 0.00207236 -0.00503197 0.00297271 +H 6.33979427 8.25126878 6.44554283 -0.02791955 0.00953217 -0.00551547 -0.06349711 0.07840495 -0.00695799 0.01353746 -0.00548418 0.00081584 +O 7.66351681 5.61872460 5.47265053 0.01049300 -0.00528287 -0.00290663 0.07224226 -0.00934638 -0.01348352 0.00898359 0.00333241 -0.00044069 +C 8.54904063 7.86119742 5.84680853 0.00214892 0.00021606 -0.00270725 0.03710046 0.00253051 -0.02082582 0.00875092 0.00026859 -0.00533387 +H 9.34289664 7.49372550 5.24390756 0.01552995 0.01685509 -0.01677778 0.11123307 0.09945618 -0.02470437 -0.00183794 0.00819998 0.01229469 +H 8.19770400 8.75836796 5.33920417 0.01389025 -0.01130695 0.00194330 0.02549085 0.00935295 -0.04508117 -0.00443978 0.00790148 -0.00628318 +H 8.81635573 8.22426605 6.85269437 0.03820095 0.01175262 -0.00034837 0.21886585 -0.06815640 -0.10094424 0.01954118 -0.02374146 -0.01250461 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.11017880 5.60285740 5.90874371 -0.00190969 0.00274911 0.00585726 -0.02658639 -0.00153783 0.03254697 -0.00504075 -0.00089349 0.00529482 +C 2.36901051 6.02567801 5.98090136 -0.00287676 -0.00501129 0.00109524 -0.00295510 -0.01773658 0.00207821 0.00154125 -0.00122991 -0.00196719 +H 1.06451027 4.85568872 5.30348341 -0.00588134 -0.00561050 -0.01504723 -0.09456394 0.08914432 0.00288121 -0.02367347 -0.00293558 -0.01390484 +C 2.71282062 7.01489490 6.90679532 -0.00593829 -0.00008182 -0.00895016 -0.02872328 0.00583991 -0.04510509 -0.00142555 0.00343571 -0.00233243 +H 3.08328204 4.81478598 4.33597132 -0.01169967 -0.00259369 0.01160120 -0.06032601 0.00027900 0.00314005 -0.00550381 -0.01071137 -0.02344049 +C 4.05087898 7.53547645 6.93392924 0.00202562 -0.00134639 -0.00190210 -0.03987396 0.00102473 0.01839173 -0.01339468 0.00187914 0.00741324 +H 1.90256519 7.21629600 7.57299975 -0.01302468 0.01186400 0.00857528 0.07392052 0.18190035 -0.00364545 0.02688721 0.02927453 -0.01578624 +C 5.02250504 7.07440968 6.05003886 -0.00504935 -0.00261344 0.00776343 -0.04604432 -0.03594903 0.03233218 -0.00324316 -0.00564864 0.00150814 +H 4.25154453 8.25183628 7.66004502 -0.02502441 0.01364107 0.02089392 -0.07767463 0.01553116 0.06252769 0.00236587 -0.02046260 -0.01682591 +C 4.59771742 6.14815592 5.08677898 -0.00828771 0.00080417 -0.00446215 -0.01978730 0.00601234 -0.04302100 0.00165890 0.00126669 -0.00570511 +N 6.27883862 7.46237264 6.18827818 0.00697261 0.00323540 0.00555271 0.06151768 0.02761143 0.04124100 0.00710773 0.00269185 0.00495390 +C 3.31412855 5.60886887 5.07047044 0.00341747 -0.00255435 -0.00522957 0.00333588 -0.03178784 -0.03749737 -0.00369060 -0.00476493 -0.00324531 +H 5.29562016 5.83758387 4.32007922 0.02116898 0.00263542 -0.00617959 -0.02555347 -0.01017021 0.01773900 -0.01368899 -0.00882591 -0.00397306 +C 7.40796976 6.86763976 5.72640072 0.00401247 0.00167885 -0.00005869 0.02187648 -0.00021370 -0.00580835 0.00365313 -0.00184970 -0.00180686 +H 6.34971122 8.22405011 6.83286138 0.01332690 0.02591500 0.00087393 0.16697579 0.08691665 -0.07252561 0.02854829 0.00250496 -0.01502092 +O 7.48876874 5.87354398 4.99849344 0.00029707 -0.00499434 -0.00346400 -0.00082761 -0.02389739 -0.01487721 -0.00059818 -0.00113552 -0.00024778 +C 8.66632354 7.48861029 6.17698049 0.00629682 0.00250097 -0.00031156 0.05526448 0.04064094 -0.00355363 0.01122494 0.01015356 0.00238195 +H 8.70441209 7.68748402 7.16948447 0.00827157 -0.01491866 0.00147575 0.05551060 -0.16276507 0.16008766 0.00502815 -0.02860464 -0.02152386 +H 9.49721723 6.92266392 5.84787170 0.01461783 0.01582274 0.00158876 0.15430789 0.07961951 -0.01240601 0.00269212 0.01757265 -0.00011370 +H 8.69456779 8.44674089 5.80578918 0.00320671 0.02284359 0.00472257 0.06576296 0.12288758 -0.03206341 0.01187697 -0.02164275 0.00636982 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99559611 5.88604630 5.67621157 0.01089163 0.00389818 0.00712514 0.06426691 0.02436386 0.05266488 0.00573999 0.00152657 0.00598763 +C 2.31590830 6.13168239 5.94749887 0.00026049 0.00312581 -0.00061202 0.01584193 0.00350119 -0.02212700 0.00525715 -0.00161387 -0.00461059 +H 0.83524564 5.30145806 4.99804809 0.01401083 0.01073446 -0.00217791 0.10015086 0.06568952 -0.01743445 0.01560018 0.02421694 0.01769036 +C 2.69455309 7.01957735 6.92421141 0.00139230 -0.00401797 -0.00663082 -0.00648194 -0.00546746 -0.01297241 -0.00162523 0.00282342 0.00216501 +H 2.93840083 4.73497541 4.50139168 0.00017316 -0.00064362 0.02126721 0.06459930 -0.06980686 0.01382045 0.01208477 -0.02159928 -0.01995856 +C 4.04415946 7.39416939 7.04693718 -0.00368518 -0.00407453 -0.00486271 -0.01418983 -0.01784567 -0.01120321 0.00160333 -0.00108157 0.00136441 +H 1.91048842 7.32919197 7.58648458 -0.00814766 0.01661856 0.01672952 0.09622995 0.14287520 -0.02558854 0.02067985 0.02092857 -0.01811020 +C 5.00353136 6.80471827 6.22935057 0.00833883 0.00692707 0.00438227 0.05216417 0.01270660 0.00155325 0.00171758 -0.00478212 -0.00472860 +H 4.34155880 8.08113417 7.80378426 0.01307399 -0.00149971 0.00884700 -0.00651335 -0.03068450 -0.00587983 -0.01683364 -0.00561714 -0.00969454 +C 4.66272416 5.77303425 5.32069443 -0.00365269 0.00204529 -0.00227413 -0.00418071 0.03194463 -0.02332063 -0.00239270 0.00866019 -0.00050454 +N 6.32538866 7.24675704 6.36769097 -0.00569872 -0.00354860 -0.00263137 -0.02654247 -0.00771935 -0.01578411 -0.00066685 0.00219487 -0.00115711 +C 3.31211796 5.48462271 5.20827344 0.00234318 -0.00235406 -0.00088879 -0.01007202 -0.02525285 -0.01289387 -0.00352495 -0.00381483 -0.00214181 +H 5.44082003 5.33489444 4.59745188 -0.00421617 -0.01547177 -0.03549304 -0.24787536 -0.05026162 0.01778594 -0.00556646 -0.02050923 -0.00293292 +C 7.43774630 6.97512412 5.64782685 -0.00917162 -0.00435160 0.00135637 -0.04759729 -0.03018875 0.01815145 -0.00193010 -0.00415985 0.00186115 +H 6.45439740 7.97408325 7.05508341 -0.01343527 0.00607339 -0.01824724 -0.06046879 0.04623215 -0.07444779 -0.00208211 0.00662679 -0.00216847 +O 7.49562964 6.16588937 4.76042705 0.00242849 -0.00404988 -0.00197948 0.01519951 -0.03436917 -0.02213968 0.00124710 -0.00516178 -0.00324512 +C 8.72876944 7.66612416 6.02840772 -0.00802740 0.00450047 0.00757901 -0.04717581 0.04151873 0.03657895 -0.00620538 0.00585289 0.00523575 +H 9.38460575 7.09543534 6.65893528 -0.00037134 -0.01578139 -0.03761516 -0.04536428 -0.14968282 -0.09884269 -0.02247003 -0.00745056 0.00211290 +H 9.35551459 7.79020478 5.12701066 0.01709855 0.01347867 0.00454006 -0.05710541 0.14410887 0.10641813 -0.02350564 0.02940710 0.00725123 +H 8.53855190 8.61147289 6.47527899 -0.00501915 0.01675624 0.02028772 -0.00102323 0.03752551 0.13159347 0.00506457 -0.02125674 0.01455579 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01209087 5.65291527 5.97741881 -0.00337079 0.00422058 -0.00374050 -0.01615829 0.04021676 -0.02844639 -0.00132263 0.00410874 -0.00508265 +C 2.28872893 6.13359802 5.87513215 0.00233006 -0.00672006 -0.00193463 0.01250591 -0.05212018 -0.01169968 0.00150671 -0.00180115 0.00097017 +H 0.99445632 4.76644402 5.65607155 0.00067466 0.02043519 0.02331720 -0.06859368 -0.03496614 0.11865284 -0.01823789 0.00746572 0.01924731 +C 2.62628867 7.37631300 6.27909539 -0.00402226 0.00046838 0.00466695 -0.02460371 0.04737519 0.05072676 -0.00359226 0.00435406 0.00595521 +H 3.00471764 4.35465126 4.87856413 -0.00677701 -0.00204537 -0.00009207 0.06128327 0.02281103 0.11544552 0.01824894 -0.01355487 0.01878064 +C 3.97646152 7.82526560 6.38562527 -0.00190129 -0.00199921 -0.00471909 -0.03704379 -0.02588180 -0.01483731 -0.00783598 -0.00270985 0.00202216 +H 1.94354852 8.15086945 6.66758247 -0.03440889 0.01059759 0.00518432 -0.16684668 -0.16564262 -0.03047644 -0.02360400 -0.02570710 0.00072185 +C 5.00839944 6.95666746 5.98357146 -0.00388964 0.00158631 0.00169862 -0.00994069 0.00880611 0.01275678 0.00221601 0.00036259 0.00146054 +H 4.18402313 8.72216936 6.93647033 -0.01443662 -0.00919534 0.02161532 -0.07433781 -0.03000831 0.00577036 -0.00363091 -0.00101332 -0.02181366 +C 4.63961212 5.68196999 5.38574279 0.00689898 -0.00358125 -0.00454627 0.05628802 0.01401343 -0.01141560 0.00843349 0.00584715 0.00055324 +N 6.29871549 7.49287364 6.26173332 -0.00240769 0.00173722 0.00547889 0.00087290 -0.00586088 0.01600226 0.00292080 -0.00541754 -0.00224888 +C 3.30268590 5.28297185 5.38179093 0.00984720 0.00437356 0.00696348 0.04476110 0.01052622 0.02567621 0.00426361 -0.00103995 0.00076008 +H 5.35802981 5.01726366 4.96894018 -0.01552527 -0.00378649 -0.01049216 0.02476498 -0.06048914 -0.06807434 0.01099070 0.00600366 0.00375393 +C 7.47708618 6.90481836 5.93047535 0.00457710 -0.00263355 -0.00242169 0.00725692 -0.03996427 -0.02599375 -0.00245975 -0.00500280 -0.00328546 +H 6.37486753 8.42769999 6.67630010 0.00920584 0.01970719 -0.01122142 0.00305252 0.01018055 -0.12855705 -0.00582180 0.00348439 -0.01464654 +O 7.56871287 5.72579226 5.53482407 -0.00233695 -0.00348051 -0.00104948 -0.01900416 -0.01663734 -0.00398165 -0.00273430 -0.00238138 -0.00051103 +C 8.77609223 7.63056549 5.92833177 0.00076963 0.00355583 0.00127170 0.03191089 0.04354555 -0.00076314 0.00305419 0.00679635 -0.00022408 +H 8.77771584 8.52326655 6.56691584 -0.00790762 -0.00986907 -0.01363367 -0.07665882 0.00869953 0.05177207 -0.00635558 0.01312743 0.02153913 +H 9.65277636 6.99195393 6.24250855 0.00328853 0.00303706 -0.01608420 -0.05796236 0.01851829 -0.04282713 0.00594873 -0.01020562 0.01439481 +H 9.13360441 8.08825120 4.96511945 0.01585075 -0.00578482 -0.01036676 -0.06550907 -0.13698603 -0.02071471 -0.02029498 -0.01283855 -0.01979447 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99284307 5.75400408 5.82133800 0.01409613 0.00074978 0.00485389 0.07306082 -0.00946938 0.03358231 0.00332024 -0.00124339 0.00525038 +C 2.32963326 6.11716823 5.94857895 -0.01150453 -0.00238441 -0.00019828 -0.05866639 -0.02721525 -0.01745281 0.00322108 -0.00463276 -0.00496855 +H 0.81907046 4.83786264 5.62048338 -0.01780267 -0.01594201 -0.00601819 -0.00281084 0.06770801 -0.00558606 0.00961310 -0.00981209 -0.00693662 +C 2.56904354 7.44284827 6.27945334 0.00410372 -0.00183730 -0.00773964 0.04898713 -0.01401281 -0.05849622 0.00415178 0.00074453 -0.00770042 +H 3.05850780 4.19204444 5.29873257 -0.01988114 -0.00661728 -0.00161044 -0.04491423 0.00579956 -0.04212768 0.00802048 -0.00708602 -0.01271531 +C 3.93611086 7.81660318 6.35793332 0.00000879 0.00398542 -0.00169313 0.01199015 0.03425919 0.00160745 0.00191237 0.00376544 0.00135564 +H 1.79745134 8.10565511 6.38712631 0.01008543 0.00004628 -0.01331343 0.00306190 0.06776380 0.01043606 0.02752645 -0.01492539 0.00718201 +C 5.01055963 6.89923502 6.02701639 -0.00587886 0.00945928 0.00221391 -0.04214858 0.06126523 0.01059303 -0.00299001 0.00481216 -0.00021932 +H 4.17827339 8.82944634 6.72288549 0.00526939 0.01280511 0.02521939 -0.01876496 -0.04790998 0.04868015 -0.00389293 0.00405887 -0.00128388 +C 4.64563415 5.61674600 5.51927962 -0.00729966 0.00111876 0.00075903 -0.01224882 0.02472862 0.01476513 0.00180966 0.00699831 0.00415872 +N 6.32720767 7.37961919 6.21721818 0.00161549 -0.00412423 0.00247932 0.00646410 -0.02838064 0.01201482 -0.00216532 0.00028031 0.00321410 +C 3.32319059 5.21543732 5.57020972 0.00458969 -0.00572344 -0.00273338 -0.01155800 -0.04063414 -0.01430832 -0.00898854 -0.00292202 -0.00064066 +H 5.39321164 4.91597625 5.14546645 0.00319316 -0.00391210 -0.00137127 -0.03621466 0.02476926 0.06636619 0.00090182 0.00237855 0.01388371 +C 7.52632029 6.87754803 5.83065616 -0.00361261 -0.00741836 -0.00171969 -0.04584931 -0.01103626 0.01948137 -0.00575691 0.00421189 0.00698980 +H 6.45038079 8.20949191 6.69355474 0.01403010 -0.00909565 -0.00683620 0.02377933 0.04806929 0.00249466 -0.01079857 -0.01618780 -0.01204254 +O 7.58587935 5.81733090 5.30427885 -0.00236395 0.00892348 0.00025910 -0.00423279 0.02343125 -0.02081851 0.00076456 -0.00253975 -0.00634590 +C 8.76300154 7.69640538 6.10816658 0.00040411 -0.00056109 0.00365033 0.00704310 -0.00995832 0.02679453 0.00262458 -0.00581383 0.00116474 +H 8.78614946 8.22957482 7.08971801 0.02250012 -0.00113296 0.00046757 0.05304744 -0.02482085 -0.01226383 -0.00352448 0.00390543 0.01220081 +H 9.60753270 7.08308823 6.16762516 0.00604663 -0.00595053 -0.02105715 0.04977436 -0.06066358 -0.17456218 -0.01862176 0.00764528 -0.01815875 +H 8.86715010 8.46940531 5.32841698 -0.00344950 -0.02637499 -0.00218530 0.01154344 -0.11523349 -0.06022687 0.00388356 0.00081361 -0.01107169 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.05250330 5.64554248 5.76250455 -0.00055028 -0.00195612 0.00219100 -0.00804990 -0.01147918 0.00051410 -0.00129927 -0.00078639 -0.00082484 +C 2.30694544 6.14941677 5.87225963 -0.00061209 -0.00558580 -0.00014102 0.01412970 -0.05899471 0.00478966 0.00390569 -0.00666144 0.00190648 +H 1.00052578 5.07749766 5.02126517 0.00191997 0.01797448 -0.04084026 -0.03101461 0.19328635 -0.09134126 -0.01460496 0.02528447 -0.00636719 +C 2.59047605 7.50956796 5.99246685 0.00382328 0.00237604 0.00229568 0.01953267 0.01567387 0.01285493 0.00003098 -0.00150284 0.00055107 +H 3.19813027 4.04673386 5.67131933 -0.01609041 -0.03176479 -0.03415640 -0.07914831 0.14781364 -0.05170841 -0.01426123 -0.00322365 0.00820555 +C 3.93061221 7.96268140 6.02801094 0.00003444 0.00654116 -0.00544436 0.00656124 0.02311344 -0.03897770 0.00047413 0.00109917 -0.00502034 +H 1.82842779 8.26093747 6.03686695 -0.00842002 -0.00594426 -0.00614131 -0.07050007 -0.06288452 -0.02872853 -0.00168583 -0.01113945 0.00050368 +C 4.98394718 6.99566401 5.94320899 -0.00598412 0.00367923 -0.00097757 -0.01393532 0.04905005 0.00020301 0.00207228 0.00690885 0.00105023 +H 4.20598429 9.01904490 6.07762909 -0.00253083 0.00067444 0.00464402 -0.07969078 0.02817034 0.02258287 -0.01415282 0.01057509 -0.00105978 +C 4.67204449 5.63404142 5.90752971 0.00361337 -0.00039966 0.00050318 -0.00439974 -0.01097036 0.00473428 -0.00288606 -0.00325858 0.00153303 +N 6.31086546 7.50813300 5.91885727 -0.00144507 0.00818760 0.00928934 -0.02870502 0.03004374 0.06199573 -0.00543069 0.00043198 0.00773500 +C 3.35886970 5.17032843 5.85014782 -0.00049592 -0.00469673 0.00096609 -0.01624396 -0.02879823 -0.01168235 -0.00174160 0.00214288 -0.00342025 +H 5.35754720 4.82823073 5.85888827 -0.03103853 0.00579878 0.02937380 0.07238983 -0.03850294 0.15866252 0.02381054 0.00989222 0.01015979 +C 7.48290928 6.84843347 5.91326620 -0.00437579 -0.00518731 -0.00016549 -0.02741784 -0.02619815 -0.00353778 -0.00155148 0.00217654 -0.00044884 +H 6.33525778 8.53943170 5.91364637 -0.01810572 -0.02137972 -0.00604148 -0.00703265 0.04151299 -0.02931139 0.01576855 0.02285386 0.00106142 +O 7.53442175 5.61278922 5.91786484 0.00148726 0.00264475 -0.00072117 0.01455450 0.01259179 -0.00565758 0.00222852 -0.00048494 -0.00096181 +C 8.76547109 7.62892850 5.91218686 0.00831845 -0.00093188 -0.00516106 0.06334285 -0.00386238 -0.02184016 0.00387254 -0.00274617 -0.00182811 +H 8.94424991 8.24915090 4.99114342 0.01151572 -0.00662075 -0.00537988 0.05378517 -0.13093319 -0.03803127 0.01066603 -0.01664391 -0.02371153 +H 8.63046098 8.38875394 6.72482360 -0.00503793 -0.00016630 -0.00598878 0.05960539 -0.03796651 -0.06975885 0.02177364 0.00874869 0.00376407 +H 9.70771081 7.05742621 6.15074131 0.02150073 -0.03317069 0.00892746 -0.11808804 -0.08725660 -0.01524638 -0.01636533 -0.01022752 -0.00404073 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00797738 5.64867428 5.86700685 0.00565762 0.00185342 0.00340341 0.03828336 0.01584579 0.02676120 0.00464172 0.00255029 0.00401792 +C 2.31572294 6.06017759 5.97536870 0.00356302 0.00086834 -0.00284575 0.00416791 -0.00776092 -0.02230954 -0.00059111 -0.00322410 -0.00111835 +H 0.54700911 5.71446327 5.00991715 0.01774825 0.01392086 0.01112179 0.13152160 0.13723080 0.00898785 0.01059236 0.02291129 -0.01298084 +C 3.01753403 5.63596786 7.06520085 -0.00117756 -0.00289709 -0.00210860 0.00946150 -0.01821648 0.00713728 0.00304105 -0.00179899 0.00279800 +H 2.40512905 6.90636314 4.03652449 -0.03307727 -0.02424618 0.01556717 -0.09697988 -0.05273392 0.03897706 0.00392754 0.01487291 -0.01378079 +C 4.38581829 5.80218010 7.16385716 0.00622287 0.00172191 0.00447136 0.02895462 -0.00341740 0.03061523 0.00069737 -0.00262803 0.00338237 +H 2.56789466 5.12230651 7.92526382 -0.00715254 0.01673373 -0.02301746 -0.16585786 -0.01012778 -0.09430880 -0.02806771 -0.01984010 0.00035688 +C 5.10767997 6.46392985 6.19802776 -0.00464527 -0.00002814 0.00144001 -0.03840241 0.03859169 -0.03381283 -0.00298752 0.00949342 -0.00824973 +H 4.91653212 5.30028117 7.97432926 -0.01752899 -0.01199012 -0.02303158 -0.01238776 -0.06161558 0.04146886 0.01533085 0.00141386 0.02787809 +C 4.38168723 7.02128368 5.08678564 -0.00896396 -0.00090294 -0.00572513 -0.05243227 -0.03793453 -0.03442203 -0.00592249 -0.00863509 -0.00469492 +N 6.44210332 6.67594490 6.36552451 0.00239215 0.00076474 -0.00603291 0.03652524 -0.00365404 -0.02437804 0.00337866 -0.00275816 -0.00124145 +C 2.99157838 6.69398072 4.93344945 -0.00738794 0.00132225 0.00032402 -0.04453345 0.01945364 -0.00505679 -0.00544034 0.00333243 -0.00147281 +H 4.96979426 7.43732042 4.28269785 0.01402774 -0.02074616 -0.00566002 -0.09104075 -0.04820238 -0.05516614 -0.03289804 0.00782249 -0.01251566 +C 7.43663663 7.27828209 5.64143877 -0.00083726 0.00410945 -0.00081214 -0.04036874 0.01930452 -0.01019681 -0.00587418 0.00135125 0.00010467 +H 6.79953503 6.32988289 7.23045751 -0.00516080 -0.03251714 -0.00889790 -0.02049385 -0.16499644 -0.08211550 0.00550685 -0.00971540 -0.01521836 +O 7.22117917 7.69298799 4.50368883 0.00201026 -0.00257007 0.00131839 0.02283690 -0.01219811 0.00265319 0.00373515 -0.00046599 -0.00161724 +C 8.75303057 7.48615905 6.29159021 -0.00196405 0.00030839 0.00548538 0.01475607 -0.00465571 0.05585115 0.00547443 0.00176330 0.01018637 +H 8.94436120 6.65663917 6.96289028 0.03200851 -0.01030609 0.01266639 0.11781736 0.04516630 0.06159472 -0.00317336 0.01715457 0.00838734 +H 9.59773565 7.48745599 5.62581659 0.01877303 -0.00730014 0.01967606 0.02846936 -0.00789105 0.04701614 -0.01726780 0.00543520 -0.00320108 +H 8.74175592 8.37425833 6.81039743 0.00641670 0.02355292 0.00773263 0.04207484 0.09212494 0.05073558 0.00439675 -0.03068918 -0.01092671 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02642088 5.79111177 5.64338480 -0.00159855 -0.00257524 -0.00146291 0.00415698 -0.02471955 -0.00962875 0.00159694 -0.00281716 0.00022554 +C 2.35075536 6.12444973 5.91696270 -0.00231122 0.00243437 0.00022963 -0.04534819 -0.01244458 -0.01257877 -0.00511590 -0.00489620 -0.00339567 +H 0.97077613 5.07198182 4.98011984 0.01166560 -0.00626279 -0.00753763 0.05051783 -0.00170025 0.01810739 0.00030148 -0.02280701 -0.01366944 +C 2.56677520 7.37633289 6.35837543 0.00408565 -0.00054186 -0.00132951 0.06521338 0.00974640 -0.00014315 0.00762514 0.00266181 0.00257757 +H 3.28190347 4.20556858 5.47733698 0.00760766 0.01968588 0.00417826 -0.05807477 -0.01352453 -0.07646209 -0.01439842 -0.00710466 -0.02201840 +C 3.94048119 7.77210844 6.45146679 -0.00345069 -0.00016397 -0.00101601 -0.02532028 0.02335179 0.00397142 0.00099010 0.00693575 0.00142349 +H 1.76171381 8.05669883 6.59548206 0.04085491 -0.03016173 0.03210798 0.06450900 -0.03189119 0.23192100 -0.00337150 0.00793702 0.01829098 +C 5.02750502 6.96887180 6.10842679 -0.00192567 0.00596206 -0.00129188 -0.02306638 0.00509633 -0.01737600 -0.00408740 -0.00227531 -0.00247439 +H 4.09113458 8.75973113 6.86023147 0.00943876 -0.01300825 -0.00942533 0.08194771 0.03711649 -0.05514007 0.00528591 0.01759995 -0.00431733 +C 4.73864146 5.63401965 5.73479984 0.00010820 -0.00010020 0.00782976 0.00340137 0.01585079 0.05155530 -0.00107169 0.00362529 0.00574203 +N 6.31143861 7.42697186 6.16300519 -0.00191725 0.00272306 0.00060829 -0.01265214 0.02428843 0.01283492 -0.00115502 0.00243392 0.00243999 +C 3.40381222 5.24460735 5.70911834 0.00523518 0.00234669 -0.00425836 0.02369316 0.00104711 -0.03506458 -0.00188587 -0.00230547 -0.00548916 +H 5.54459381 4.93323606 5.47611366 -0.00215357 0.00284619 -0.02093448 -0.14656384 -0.03395805 -0.06093645 -0.00987340 -0.01622154 0.00275321 +C 7.44521444 6.86030241 5.80774839 -0.00081995 -0.01020650 0.00201249 -0.00224751 -0.05538745 0.00349472 -0.00069521 0.00055521 0.00207782 +H 6.39201471 8.37468777 6.53074500 -0.01541142 -0.01497306 0.00933560 -0.02580789 -0.00570417 0.09863314 0.01021207 0.01120662 0.01566010 +O 7.51218330 5.75940147 5.19081102 -0.00209096 0.00462769 0.00298319 -0.00275706 0.03313873 0.02353610 0.00089396 0.00176072 0.00222330 +C 8.69798463 7.67558376 6.02299476 0.00066212 -0.00102876 -0.00407362 0.00498185 -0.01832605 -0.00864458 0.00164550 -0.00643664 -0.00164225 +H 8.73816681 8.17315208 7.00123671 0.01921820 0.01082421 0.02575565 0.04720641 0.02439926 -0.08920194 -0.00265391 0.00350302 -0.02979707 +H 9.44289144 6.90987142 6.14946136 0.00363755 -0.01038299 -0.01937108 0.09178479 0.03332271 -0.22555470 0.01086819 0.02485457 -0.03266235 +H 8.78817873 8.36600436 5.18020026 -0.00852641 -0.01351450 -0.02408169 0.03249165 -0.10902905 -0.06427662 0.01106841 -0.01057454 0.00705371 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99619982 5.65466566 5.80605145 0.00264480 0.00471172 -0.00086273 0.02985811 0.02882476 -0.00990761 0.00512543 0.00549120 -0.00081154 +C 2.28530842 6.09465958 5.92012981 0.00623895 -0.00081000 0.00079917 0.01568379 0.02623704 0.01305604 -0.00162583 0.00614739 0.00201495 +H 1.07945815 4.81106510 5.32132554 0.00629300 -0.00131646 -0.00317167 -0.08257057 0.04178458 0.02716818 -0.02322002 -0.01757507 -0.00679572 +C 2.58551709 7.39991815 6.40962535 -0.00279941 0.00040332 -0.00594737 -0.01063816 -0.01142704 -0.04412667 -0.00108114 -0.00319538 -0.00637038 +H 3.08307834 4.31724961 5.07696765 0.02599121 0.01065348 0.00588451 0.13126241 0.02275094 0.01974986 0.00561670 0.00059481 0.00215311 +C 3.97225167 7.81755551 6.47620546 -0.00694397 -0.01130439 0.00061637 -0.06285051 -0.03535497 0.02312195 -0.00976349 -0.00166291 0.00486954 +H 1.74517535 8.03294981 6.72378674 -0.01944505 -0.01326369 -0.02441760 -0.02897138 -0.03755937 -0.15017855 0.00303202 0.01145371 -0.01264698 +C 5.02117036 6.96820607 6.09666466 0.00130583 0.00529352 0.01065963 -0.01582436 -0.01526965 0.05540164 -0.00551196 -0.00977766 0.00445786 +H 4.23783149 8.83510415 6.84864308 -0.02197274 0.01475886 0.01298858 -0.21335040 -0.10950692 0.01296907 -0.02314368 -0.00055836 0.00642704 +C 4.64218210 5.67768118 5.63128943 -0.00482098 -0.00318369 0.00028861 -0.00030063 0.00414844 -0.00084840 0.00758805 0.00454655 -0.00038155 +N 6.32016296 7.39332812 6.25349330 0.00300402 -0.00796691 -0.00473006 0.01323132 -0.03292323 -0.02044924 -0.00078962 -0.00086525 -0.00018311 +C 3.30462362 5.28553525 5.48266068 0.00380895 0.01018801 0.00682499 0.03409843 0.03851165 0.04171350 0.00471673 -0.00098287 0.00424823 +H 5.33623000 4.96520784 5.28605405 0.00198892 0.00620808 -0.01516322 0.05819315 0.03617322 -0.05678664 -0.00273267 0.01370311 0.00599075 +C 7.47806064 6.86677639 5.79790702 -0.00407037 0.00488390 0.00429573 0.00018545 0.01205708 0.00114311 0.00545697 -0.00449980 -0.00647453 +H 6.36917869 8.30038084 6.70060287 -0.01192420 -0.00547663 -0.00550118 0.03114242 -0.06235036 -0.00142146 0.02037011 -0.00265070 0.00874155 +O 7.57839194 5.94451922 4.99263075 0.00099154 -0.00405628 -0.00443867 -0.00159326 -0.01916501 -0.01545741 -0.00140003 -0.00036424 0.00091141 +C 8.78834265 7.55509451 6.21429127 0.00056938 -0.00058219 -0.00303188 0.00257245 0.01919358 -0.04120058 -0.00057647 0.00561139 -0.00529583 +H 9.32346245 7.59076947 5.23659536 0.01869071 -0.00508694 0.00348013 0.12522535 -0.03557590 0.08819861 0.02082268 0.00700122 0.00061505 +H 8.84610973 8.61676728 6.40904669 -0.02629859 0.01159375 0.02709039 -0.27469258 -0.06567694 0.20202956 -0.03861585 -0.03155542 0.01908582 +H 9.39589247 6.96973141 6.91240563 0.00719021 0.02398366 -0.02415768 0.06303413 0.06019610 -0.03003373 -0.00078871 -0.00432718 0.01232175 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.05262276 5.65967139 6.00166309 0.00067700 0.00549311 -0.00098367 0.01155170 0.04329005 -0.01281720 0.00162357 0.00730150 -0.00230988 +C 2.32866737 6.14615618 5.81606437 0.00304148 -0.00296815 -0.00045993 0.00403660 -0.00510660 0.02614961 -0.00078267 0.00012004 0.00654895 +H 1.03474397 4.70051138 5.82561122 -0.01073516 0.01475389 0.00497732 -0.11101280 0.05676410 0.02442506 -0.01700390 -0.00860501 -0.00085365 +C 2.67726712 7.40898250 6.37333624 0.00362222 0.00072183 -0.00126042 -0.01168341 -0.01625117 -0.01891684 -0.00516138 -0.00338336 -0.00304228 +H 3.08406445 4.38675649 4.91500592 0.00069407 -0.00052475 -0.01230535 0.02418200 -0.04761842 -0.03087259 0.00808275 0.00130989 0.01113340 +C 3.96051391 7.80724454 6.37285929 0.00139724 -0.00488969 -0.00279522 0.02994044 -0.00764091 0.00427362 0.00414135 0.00168871 0.00373570 +H 1.96625724 8.06962020 6.83509950 0.01324056 0.00173822 0.00173298 -0.01461156 -0.01377919 0.00356585 -0.01345792 -0.00994114 -0.00423405 +C 4.98763005 6.98484895 5.94538674 -0.00568369 0.00229021 -0.00360171 -0.01028979 0.00549284 -0.04303788 0.00227218 -0.00234118 -0.00837780 +H 4.21339214 8.75256029 6.85911856 -0.00060973 -0.02189773 0.01438876 -0.00159731 -0.05950686 0.07353690 0.00453215 0.01372576 0.00924488 +C 4.69115959 5.76370884 5.33484797 -0.00115804 0.00143277 -0.00114536 -0.02021644 -0.01945500 -0.00507725 -0.00452664 -0.00422248 0.00029459 +N 6.28461898 7.47988904 6.01484342 -0.00591253 -0.00557454 0.00778079 -0.04011856 -0.04013611 0.05093177 -0.00488547 -0.00788183 0.00569196 +C 3.33755300 5.31908919 5.33969508 -0.00122668 -0.00279408 0.00390563 0.00827646 -0.02370841 0.00338666 0.00188958 -0.00498611 -0.00317706 +H 5.44107629 5.05512785 4.97040799 0.02469190 -0.00528596 -0.00203972 0.00563040 0.10074111 -0.00772172 -0.00777384 0.01198157 -0.00905294 +C 7.43717037 6.82064704 5.83356801 -0.00437137 -0.00494464 -0.00071700 -0.00849597 -0.01681442 0.02593219 0.00148804 0.00492681 0.00797221 +H 6.40855430 8.46242353 6.35153055 -0.03921063 -0.00660517 0.01819498 -0.21399505 -0.08388758 0.04699836 -0.00915096 0.01281455 0.00586552 +O 7.55299792 5.54835742 5.87074655 0.00401725 0.00718421 0.00192807 0.02938324 0.06478141 0.00419481 0.00439604 0.00840061 -0.00068479 +C 8.68391411 7.75078942 5.93275970 0.00336984 0.00057751 -0.00604247 0.00645767 -0.00799589 -0.04069886 -0.00034282 -0.00437813 -0.01033467 +H 8.51737842 8.66764842 6.64478874 0.03165128 -0.00151070 -0.02269988 0.17642689 -0.12016302 -0.07272617 0.00604721 0.00926165 0.03619630 +H 9.54616365 7.13542242 6.24566312 -0.01189716 -0.00514892 0.00416806 -0.02948870 0.00577187 0.01520362 0.00971150 -0.00015090 -0.00175729 +H 8.88819438 8.21100565 5.01279619 0.01184956 0.02672853 0.01484857 0.09575050 0.09413089 -0.05147718 0.00353890 -0.02024817 -0.00207919 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04767186 5.68135839 5.92955331 0.00159077 -0.00085457 0.00211622 -0.00807945 -0.00938394 -0.01418442 -0.00453344 -0.00233135 -0.00425066 +C 2.32247644 5.99844231 5.68545385 0.00264738 0.00119156 0.00019954 0.00677864 -0.00033599 0.02817261 -0.00027731 -0.00138182 0.00766819 +H 0.79564286 5.46336768 6.81541470 -0.01984754 -0.01671961 -0.03350529 -0.09007931 -0.11739135 -0.04060135 0.00764351 -0.00649396 -0.00798120 +C 2.96509798 5.73802587 4.46616318 -0.00128894 0.00068623 0.00466160 0.01580771 0.03044875 0.02930586 0.00561582 0.00648240 0.00177883 +H 2.56904474 6.58487109 7.77842848 -0.01747923 0.02630823 -0.00509212 -0.19002270 0.15937144 -0.07237382 -0.01376088 0.01190886 -0.03050948 +C 4.34137616 6.07252457 4.42995876 0.00323033 0.00208470 -0.00356144 0.03708925 0.01835631 -0.00368700 0.00739756 0.00183517 -0.00053482 +H 2.43691140 5.49461570 3.58396742 0.00413118 -0.00228104 0.00131931 0.01251710 -0.13408481 0.03862420 0.00985647 -0.02328699 0.02657055 +C 5.05875056 6.63652021 5.56532928 0.00224691 0.00106930 -0.00701136 0.00725269 -0.01380151 -0.02551780 -0.00085318 -0.00431646 0.00254818 +H 4.90925919 5.86162854 3.57639902 0.02200110 0.00007905 0.02185980 0.10798418 0.00201913 -0.03383762 -0.01287651 0.00602082 -0.00513722 +C 4.33242841 6.75650366 6.77310969 0.00286246 -0.00285973 0.00560948 0.03060135 0.00311069 0.01873085 0.00588065 0.00471645 -0.00027825 +N 6.48086776 6.78053298 5.51161140 -0.00431603 -0.00257585 -0.00009720 -0.03522053 -0.02178589 -0.01386555 -0.00365134 -0.00242622 -0.00366902 +C 2.97662687 6.47614691 6.81458704 0.00136391 -0.00123258 0.00195026 0.02086187 -0.00542120 0.02335044 0.00240948 0.00059991 0.00596923 +H 4.75668923 7.12621198 7.67561372 -0.02014574 0.04314536 -0.00321031 -0.01597707 0.21121731 -0.03134602 0.01147708 0.00441848 -0.01801017 +C 7.43728744 7.23607334 6.33302190 0.00270162 0.00439889 -0.00987099 -0.01937249 0.05473940 -0.03619486 -0.00919721 0.00989712 -0.00028693 +H 6.87232521 6.41164250 4.64165872 -0.00899888 0.00886222 0.00722279 -0.03064706 0.03704193 -0.02643581 0.00105424 -0.00156436 -0.01795627 +O 7.23187640 7.84558747 7.39978482 -0.00574463 -0.00209848 0.00255575 -0.03710440 -0.02867288 0.00153048 -0.00464576 -0.00567826 -0.00222961 +C 8.82266196 7.21424780 5.75998755 -0.00240530 -0.00408656 0.00193410 -0.00012242 -0.00879511 0.01060849 0.00401092 0.00040676 0.00171536 +H 8.99865525 6.34316912 5.11110102 -0.01926088 0.01532351 0.00669365 -0.09539635 -0.00706695 -0.02512482 -0.00836711 -0.01214990 -0.01375243 +H 8.85371482 8.12165621 5.14149269 0.02748445 0.01414677 0.00832873 0.22989299 -0.01567668 0.10812565 0.03204477 -0.00931023 0.01399829 +H 9.52988199 7.26459682 6.55853956 0.02267755 -0.02111621 -0.00386742 0.09988306 -0.16167078 -0.05696268 -0.00921798 -0.02603577 -0.01477391 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92984060 5.73075812 5.80116577 0.00491904 -0.00377557 0.00083580 0.06714109 -0.02126091 0.01257997 0.01190166 -0.00279394 0.00135348 +C 2.32337267 6.08208085 5.77446264 0.00305744 -0.00547716 -0.00091534 -0.01041114 -0.03947592 0.00184961 -0.00173010 -0.00432233 0.00284635 +H 0.64260111 5.50561732 6.71136778 -0.01643089 0.01317441 -0.01105297 -0.11275307 0.08060547 -0.06083439 -0.01402084 0.00740546 0.01086412 +C 2.77097869 6.64710404 4.57892881 -0.00121105 0.00559846 0.00387747 -0.00920014 0.03576790 0.03829810 -0.00236941 0.00452524 0.00544515 +H 2.86241400 5.67437024 7.85594764 0.00797852 -0.00186287 -0.01365486 0.02140028 -0.10884350 -0.00927087 0.00070876 -0.02353718 0.00783554 +C 4.08864187 7.04546521 4.49918043 -0.00526980 0.00453410 0.00116116 0.02022550 0.03685215 -0.00224611 0.00755913 0.00480728 -0.00263240 +H 2.14521700 6.83208033 3.73214071 -0.00118152 -0.00272547 0.02407668 -0.11377971 -0.03976198 0.05366455 -0.01247998 -0.00718183 0.00502711 +C 5.03203265 6.88222834 5.60243727 0.00237632 0.00015750 -0.01082732 0.00085230 -0.00780652 -0.07974570 0.00042499 -0.00277473 -0.00667316 +H 4.46180488 7.44587716 3.56187126 0.01032730 -0.01313425 -0.02027906 -0.01834598 -0.08681320 -0.01872691 -0.00791769 -0.00140105 -0.00004387 +C 4.55618735 6.38809691 6.79580267 -0.00328152 0.00720648 -0.00176369 -0.00954323 0.04196346 -0.00185872 -0.00132553 0.00524629 -0.00308820 +N 6.36682466 7.20628890 5.44967593 0.00505191 -0.00691697 0.00134652 0.04448929 -0.02248871 -0.00022841 0.00355885 0.00055051 -0.00302116 +C 3.22026818 5.97837409 6.87701298 0.00623596 0.00013221 0.00335448 0.00909375 0.00210178 0.01490432 -0.00472141 -0.00018825 0.00026115 +H 5.24602646 6.30015942 7.65821967 0.01011260 -0.00292972 0.01283561 -0.11280428 0.00103099 -0.01940748 -0.01311923 0.00223365 0.00763471 +C 7.48706923 6.87963830 6.22193649 -0.00931380 0.00513230 0.00004118 -0.06021056 0.03446999 -0.00850412 -0.00400641 0.00156080 0.00082884 +H 6.51190010 7.91166805 4.72958910 0.00405271 0.00781933 0.00669758 0.08465316 -0.01142875 0.06733278 0.02253878 0.00228569 -0.00242742 +O 7.49088951 5.99410657 7.03758459 -0.00456991 0.00294574 -0.00022566 -0.03423527 0.01256787 0.00565047 -0.00568010 0.00142942 0.00116471 +C 8.77656855 7.71437902 6.07163917 -0.00274582 -0.00867251 0.00266456 -0.02912770 -0.03747656 0.01103659 -0.00285402 -0.00037705 0.00143497 +H 9.68032185 7.13782231 6.11100914 0.01002821 0.01686960 -0.01851705 0.03941168 0.00647937 -0.14695466 -0.02021708 -0.01379736 -0.01587686 +H 8.69349315 8.39261792 5.24178305 0.01817902 0.00631032 0.00433961 0.11641355 -0.03948505 -0.01242927 0.00478437 -0.01575485 0.00266378 +H 8.83185820 8.41808564 6.84851259 0.00216291 -0.01684356 0.01584612 0.00771014 -0.14246378 0.17342242 -0.00096727 -0.03725676 0.00513003 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03468758 5.83425421 5.94281499 0.00207980 -0.00559053 -0.00318720 -0.00424363 -0.04341953 -0.02335207 -0.00305229 -0.00774379 -0.00389769 +C 2.32692763 6.10421914 5.88549318 -0.00213816 0.00240689 -0.00819258 0.00761892 0.02117230 -0.03729945 0.00263878 0.00510063 -0.00168801 +H 0.79051350 4.98002667 5.58894377 0.00036415 0.01337261 0.01319977 -0.01099537 -0.08548627 0.02728380 0.00400844 -0.01676483 0.00177171 +C 2.64139101 7.37376679 6.33771944 0.00193036 0.00468718 0.00238762 -0.00023681 0.03517676 -0.00377017 0.00073865 0.00252804 -0.00396725 +H 3.26859039 4.15151553 5.25721463 0.01269169 -0.00512170 -0.00254484 -0.05110149 0.04152095 0.07216003 -0.02810787 0.01236819 0.01879026 +C 3.94453290 7.82131415 6.21796186 0.00084867 0.00043938 0.00299614 0.03065571 0.02149186 0.03654357 0.00508277 0.00639342 0.00775224 +H 1.82433196 8.09601034 6.58213024 -0.00694605 -0.00625396 0.01180119 0.03377848 -0.07636347 0.12786467 -0.00456027 0.00583021 0.02733795 +C 5.01635557 6.98018128 5.82062029 0.00187922 0.00661129 0.00706175 -0.00637781 0.03091950 0.04029102 -0.00133674 -0.00260754 0.00281103 +H 4.20446600 8.81605643 6.56274187 -0.00180786 -0.01011723 0.01248795 -0.03880816 0.03370180 0.03165515 -0.00359410 0.02040183 -0.00209727 +C 4.66737176 5.67740761 5.58627819 -0.00064846 -0.00871332 0.00586678 0.03123799 -0.07414116 0.03834288 0.00634593 -0.00575410 0.00589502 +N 6.29707021 7.49003568 5.71185747 0.00246704 0.00325460 -0.00998264 0.00679217 0.02073741 -0.05608610 -0.00124004 0.00700497 -0.00498691 +C 3.36919155 5.17438853 5.57754132 0.00050443 0.00627695 0.00364779 -0.01080721 0.04010327 0.01374619 -0.00210657 0.00358476 0.00015563 +H 5.47842189 4.94204286 5.44436142 0.01408541 -0.01729141 -0.00129943 -0.06532303 -0.05460970 -0.07944795 -0.00418219 -0.01872516 -0.02212680 +C 7.46171466 6.85794444 5.83068832 -0.00350873 -0.00157505 0.00045151 -0.02142112 -0.02893997 0.00769760 -0.00211960 -0.00481260 0.00124489 +H 6.36882799 8.42954274 5.72724049 -0.00705094 -0.00611126 0.00522574 -0.01217549 0.11806082 0.02291880 0.00342929 -0.02679680 -0.00508316 +O 7.61562099 5.63909304 5.80764728 0.00032068 -0.00195152 -0.00210888 0.00078249 -0.01404828 -0.01607174 -0.00035637 -0.00258862 -0.00240582 +C 8.63737221 7.68017492 6.18709410 -0.00501659 0.00105057 0.00023869 -0.03090100 0.00708846 0.00444159 -0.00452001 0.00310560 0.00245584 +H 8.88981705 7.54256822 7.22604345 0.00783415 -0.00739791 -0.00728661 0.06256413 -0.04602929 -0.00726941 0.00171339 0.00040065 -0.00224852 +H 9.48684875 7.37525458 5.48825535 -0.02831198 0.00251919 0.02997049 -0.02084169 -0.01474094 0.11035203 0.03572204 -0.01411671 -0.01506576 +H 8.39628358 8.70962979 6.04324021 0.01003126 -0.02237979 -0.01105096 0.06620862 0.07791935 -0.09190673 0.01062423 0.01423618 -0.00660848 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94015806 5.85266162 5.79157605 0.00141445 0.00122953 -0.00157484 0.01243062 0.00840011 -0.00236086 0.00055236 0.00103460 -0.00177693 +C 2.29252303 6.07460681 5.95063571 -0.00291635 0.00109882 -0.00178880 -0.01705682 -0.00074082 -0.00761285 -0.00021038 -0.00125332 0.00350702 +H 0.63395145 5.80933351 4.93235548 0.00418856 0.00389414 0.00513779 0.02962135 0.03053231 -0.04600127 0.01501760 0.00572134 0.01780621 +C 2.88182792 6.04020657 7.23944579 -0.00427063 0.00403235 0.00510497 -0.02114892 0.03943482 0.03604964 -0.00022755 0.00797615 0.00036552 +H 2.66159315 6.26292649 3.74374443 0.01062496 0.01277520 0.00082134 0.10740702 0.02103034 0.11113015 0.00322554 -0.00904638 0.00119289 +C 4.24093185 6.42124492 7.42394843 0.00306982 0.00005789 0.00062201 0.02526378 -0.02248424 -0.00780054 0.00426428 -0.00677530 -0.00200711 +H 2.33609163 5.76227039 8.17286819 -0.01170129 0.00527290 0.01866041 -0.07443508 0.11096523 -0.06310617 -0.02300507 0.01725565 -0.00362282 +C 5.08307315 6.60357916 6.28515442 0.00607890 -0.00114216 -0.00772008 0.03203216 -0.01637626 -0.02142194 -0.00077427 -0.00417897 -0.00023568 +H 4.62783937 6.39881979 8.40478012 0.01965750 -0.02978689 0.01458490 0.08821623 -0.10452350 -0.02055131 -0.00056983 0.00321269 -0.02780928 +C 4.48011207 6.42571471 5.03026890 -0.00165129 0.00096681 -0.00002880 -0.00450778 0.01766369 -0.04472398 0.00153430 0.00374645 -0.00766714 +N 6.48430069 6.85410624 6.50540230 -0.00199237 -0.00019843 -0.00666328 -0.03686635 -0.01715520 -0.05368949 -0.00614866 -0.00377618 -0.00706821 +C 3.09205247 6.25202428 4.77773245 0.00399968 -0.00701823 0.00618158 0.02445436 -0.04192341 0.06750679 0.00341099 -0.00438902 0.01215903 +H 5.01016205 6.51108498 4.07447590 -0.00601155 0.00088879 -0.01671996 0.02399006 0.02367122 0.02703943 0.01935751 0.00826894 -0.00027306 +C 7.43944957 7.11000245 5.57313108 -0.00905938 0.00076535 0.00358801 -0.00760303 0.03350492 0.02550459 0.00563664 0.00737181 0.00044135 +H 6.79185066 6.67553719 7.43939727 -0.00492447 -0.00280136 0.00559802 -0.03626655 0.11100615 -0.04403161 -0.00771692 0.03087535 -0.01539598 +O 7.37559056 7.01020902 4.32702154 0.00481638 0.00091778 -0.00114559 0.02636558 0.00607505 0.01633355 0.00273938 0.00098431 0.00625087 +C 8.73599726 7.78928369 6.24862835 0.00159352 -0.00135537 0.00366100 -0.03581147 -0.03159906 -0.01720069 -0.01063002 -0.00600286 -0.00358782 +H 8.51026783 8.84205472 6.30735164 -0.02769025 -0.01104268 0.01607748 -0.08575615 -0.04043349 0.17021291 0.00454762 -0.01312724 0.02407815 +H 9.04088872 7.31112336 7.15827049 -0.00753180 0.00825110 -0.02960726 -0.05517147 -0.01966007 0.08431783 -0.01261140 -0.00564900 0.01727183 +H 9.62618400 7.60658463 5.61735636 -0.01021972 0.01213954 0.00659048 -0.04893058 0.14439306 -0.05578303 -0.00084567 0.02468285 -0.02149087 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98025483 5.67565993 5.82541887 -0.00028466 -0.00057117 0.00095571 0.03237694 0.00916414 0.00266241 0.00771101 0.00101325 -0.00144459 +C 2.31473533 6.17165171 5.86018046 0.00800999 0.00242779 -0.00531062 -0.03111349 -0.00614263 -0.01907954 -0.01358180 -0.00156106 0.00083761 +H 0.90631350 4.91863376 5.32399013 0.01330114 0.00893007 -0.01594439 0.04510679 0.04671389 -0.09174011 -0.00021271 0.02662616 0.00654835 +C 2.57387459 7.33354597 6.52687532 -0.00183669 -0.00674585 0.00489182 -0.00461940 -0.01451917 0.03710686 0.00210510 -0.00121558 0.00301940 +H 3.04324552 4.40799047 4.89466411 -0.01553742 0.01944029 0.02207137 -0.05638699 0.06288751 0.07948823 -0.00261777 -0.02309962 -0.01325774 +C 3.93408714 7.74892187 6.53787009 -0.00814138 -0.00772928 -0.00224837 -0.02779430 -0.02807083 -0.00360047 0.00071086 -0.00281125 -0.00002360 +H 1.75765795 7.95384173 6.97553168 -0.01970508 0.00959463 0.01297236 0.05286435 -0.07860778 -0.00863273 0.00020380 -0.00382302 0.00619971 +C 5.00687037 6.95004288 6.03701311 0.00242265 -0.00160415 -0.00368082 -0.00608855 0.00618228 -0.02302304 -0.00390585 0.00338281 -0.00235537 +H 4.18702185 8.75102358 6.95527672 0.00976837 0.00807668 -0.00390683 -0.03406118 -0.11160635 -0.03214815 -0.00988221 0.00011184 0.01108186 +C 4.67540472 5.76574853 5.37069305 0.00316365 -0.00196203 0.00761036 0.01585877 -0.03819587 0.05364832 -0.00019916 -0.00678596 0.00767145 +N 6.29053885 7.46357848 6.06916975 -0.00326346 0.00289243 -0.00080101 0.01698213 0.01116596 -0.01552898 0.00981342 0.00139070 -0.00394186 +C 3.32593882 5.38550280 5.35637561 -0.00408065 0.00973338 -0.00132378 -0.00563102 0.03777614 -0.02998118 0.00257906 0.00160664 -0.00592621 +H 5.39199583 5.05330840 4.96117858 0.01334600 -0.01970661 0.00350012 0.02114734 0.02493392 0.06883155 0.00414603 0.00920919 0.00933993 +C 7.49444143 6.85434702 5.89003184 0.00954108 0.00218916 -0.00300019 0.04194018 -0.03408577 -0.01982368 -0.00133100 -0.00684702 -0.00151441 +H 6.30552126 8.43958015 6.14112084 0.02642428 -0.00086070 -0.01510878 0.14435367 0.04836744 -0.04562123 0.00423590 -0.01477745 0.00144343 +O 7.67574761 5.56998255 5.75504621 -0.00755854 -0.00187578 0.00141294 -0.05592154 0.03167624 0.01477517 -0.00725955 0.00810564 0.00240288 +C 8.74134404 7.75623616 5.79028761 0.00128855 -0.00031459 -0.00007161 0.00970776 -0.00034765 0.01286304 0.00341401 -0.00166387 0.00157841 +H 8.57107574 8.69800086 6.37960291 0.00219817 0.01001980 -0.01595835 0.01833293 0.01930476 -0.14143579 -0.00269110 0.01428743 -0.00484084 +H 9.62373067 7.31047270 6.17296678 0.02655789 0.00394292 0.00668496 0.05397838 0.02175475 0.00246988 -0.02078147 0.00789665 -0.00953535 +H 8.89318016 7.95821844 4.72850127 -0.01004988 0.00693724 0.01655915 -0.01539076 0.08518772 0.01116566 0.00571245 0.00891183 -0.00658403 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97118799 5.72840004 5.84616619 0.00331511 -0.00139066 -0.00673202 0.02185984 -0.01750659 -0.05876032 0.00280633 -0.00378307 -0.00637206 +C 2.32635183 5.93601389 5.88805834 -0.00269250 0.00015332 0.00581176 -0.00231614 0.01746280 0.03619525 0.00432311 0.00581801 0.00235029 +H 0.73578780 5.67129756 4.89781357 -0.03663550 0.00427574 -0.01158164 -0.22632253 0.06635105 0.08755030 -0.03259865 0.01604828 -0.01071165 +C 3.06505850 5.59206305 7.03179672 0.00254419 0.00279061 0.00143790 -0.01902605 -0.00002412 0.05851547 -0.00628058 0.00040179 0.00957165 +H 2.50034519 6.97322170 3.96726110 0.02492435 -0.00590775 0.00047360 0.10839786 -0.04377811 -0.01347958 0.00377179 -0.00378107 -0.00946987 +C 4.40362394 5.99165598 7.33348240 -0.00136393 -0.00099362 0.00237594 -0.01964425 -0.01503502 -0.00971573 -0.00196855 -0.00329178 -0.00257466 +H 2.49815179 5.02731757 7.83346860 -0.04168124 -0.00481744 0.00940642 -0.05084285 0.10272209 -0.09257493 -0.00449153 -0.00014094 0.01717037 +C 5.06985439 6.66049372 6.28221920 0.00116258 -0.01047803 0.00141509 0.02761885 -0.05903278 0.02464112 0.00302783 -0.00512007 0.00199690 +H 4.85314852 5.66016252 8.25609363 0.02053001 0.01613330 -0.00750441 0.10821801 0.13073591 -0.02553432 -0.00198893 0.01561925 -0.00321426 +C 4.36955017 6.95023390 5.10557705 0.00277939 0.00422421 0.00824970 -0.00136654 0.02460551 0.02878025 0.00070247 0.00160127 0.00237681 +N 6.43437096 7.01685634 6.51230949 -0.00548934 0.00355637 -0.00340163 -0.04199380 0.01471461 -0.04310696 -0.00481286 0.00014157 -0.00607628 +C 2.97693496 6.64198826 4.90076849 0.00741204 0.00300657 -0.00044262 0.07180398 0.01805821 0.00943942 0.00930812 0.00052982 0.00456588 +H 4.79398110 7.44662976 4.21824353 0.00252848 -0.02886797 0.00562374 0.13460804 -0.09592008 0.06906984 0.02905381 0.00939757 0.00392951 +C 7.40765125 7.23675690 5.59074503 -0.00470016 -0.00391809 -0.00441317 -0.02944248 -0.02166907 0.00963018 -0.00222169 -0.00118212 0.00434809 +H 6.78656391 7.01566023 7.46738591 0.00446172 -0.00082274 -0.02483232 -0.00917130 -0.01694248 -0.04848758 -0.01053141 -0.00233286 0.00523293 +O 7.25526049 7.22869364 4.39806939 -0.00494446 0.00205417 0.00007569 -0.03386355 0.01391418 -0.01768547 -0.00443913 0.00175226 -0.00406363 +C 8.77260690 7.45927645 6.22791823 0.00288707 0.00132603 -0.00035654 0.02368713 0.02339932 -0.01294507 0.00312788 0.00460355 -0.00022214 +H 9.21783617 6.52440640 6.55868076 -0.00857632 0.02629682 0.00191082 -0.03274021 -0.00379247 0.09184043 -0.00712657 -0.01345806 0.01468682 +H 9.51468212 7.90803272 5.56752928 0.02060203 -0.02093965 -0.00142377 0.04815711 -0.14685504 -0.07817863 -0.00605157 -0.01655398 -0.01837751 +H 8.72159163 8.15223874 7.00375238 0.02031904 0.00103972 0.01309574 0.08230818 0.00581670 0.09984750 0.00337894 -0.01457448 -0.01623987 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03988218 5.65214054 5.81251950 -0.00175814 -0.00460731 -0.00294668 -0.02013365 -0.03548932 -0.02010691 -0.00261674 -0.00311261 -0.00090684 +C 2.32503994 6.06300866 5.90856412 -0.00200311 0.00329182 0.00413051 -0.00368986 0.00883764 0.01128484 -0.00105879 0.00032882 -0.00067785 +H 0.87345014 4.90235290 5.23878196 -0.00932740 -0.02085582 -0.01761726 0.01538829 0.00091181 -0.00685460 0.00637165 -0.01398305 -0.01176814 +C 2.70895164 7.25613473 6.55041344 -0.00521754 0.00131863 -0.00032170 -0.07860243 0.03937959 0.01796677 -0.01067833 0.00731862 0.00341133 +H 3.12980206 4.39316142 4.69056922 -0.01327697 0.00935715 0.04963191 -0.10086394 -0.04012875 0.21868391 -0.00664467 -0.00920523 0.00640587 +C 3.99161600 7.78491709 6.57676444 -0.00165991 0.00151304 0.00208152 -0.01108833 0.01618214 0.01582932 -0.00484248 -0.00062862 0.00125588 +H 1.87767275 7.86058230 6.99051696 -0.02161476 0.00664523 0.02263009 0.01811893 -0.05287746 0.06811660 -0.01246359 0.00535569 0.01609470 +C 5.01205424 7.02757652 6.03213319 -0.00769550 0.00138451 -0.00119661 -0.04160464 0.00698549 -0.01916463 -0.00042002 0.00072115 -0.00424792 +H 4.24643045 8.80914623 6.97207702 0.03076069 -0.00034534 -0.00326707 0.05706969 -0.10465866 0.04598394 -0.00687367 0.00784544 0.03076000 +C 4.60810920 5.85629258 5.32096170 0.00760816 0.00067964 0.00300457 0.06300907 -0.02688332 0.00113191 0.00641161 -0.00632774 -0.00254461 +N 6.29191067 7.54943855 6.07302106 -0.00041697 -0.00286704 0.00222062 0.01831470 -0.01715032 -0.00098806 0.00334183 -0.00162782 -0.00239314 +C 3.31492187 5.31814240 5.25548818 -0.00028973 0.00397713 -0.00404006 0.00671421 0.05690190 -0.00186984 0.00288022 0.00993440 0.00386221 +H 5.32821137 5.22173017 4.82012843 0.00285240 -0.00379491 -0.03434942 0.03610744 0.09626286 -0.11280421 0.01736733 0.01816923 0.00162270 +C 7.44856183 6.87732215 5.84912405 -0.00145241 -0.00425085 -0.00670746 -0.00910586 -0.02862042 -0.02720665 0.00048209 -0.00126443 -0.00064772 +H 6.45240482 8.49967337 6.21867656 0.02352154 0.01378369 0.00722115 0.01494714 -0.01024066 0.04222711 -0.01810526 -0.02536983 0.00261806 +O 7.49584935 5.62627814 5.91208152 0.00792220 0.00432675 0.00256771 0.05504969 0.03271434 0.00971402 0.00733552 0.00295276 0.00021965 +C 8.76212905 7.67714434 5.71614126 0.00065214 -0.00371696 -0.00218694 0.00030931 -0.04006682 0.00562863 -0.00080577 -0.00902441 0.00121237 +H 9.01781683 8.10868854 6.72455494 0.00665838 0.00278705 0.00995881 -0.01127522 0.05114745 -0.12729971 -0.00361616 0.02137271 -0.01164185 +H 9.50787391 6.89439877 5.60899621 -0.00315975 0.00126177 0.00045809 0.05332511 -0.00023996 -0.02988627 0.01275446 0.00141775 -0.00480323 +H 8.89068835 8.34436155 4.83159226 0.01139017 -0.01455552 0.00288361 -0.00904936 -0.04764937 0.03761701 -0.01442423 0.00695018 -0.00447384 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94079921 5.67857111 5.88713410 -0.00565901 -0.00194579 -0.00297339 -0.00936689 -0.00466407 -0.02555700 0.00213849 0.00066928 -0.00521915 +C 2.31214967 5.97001220 5.94478552 -0.00087363 0.00240477 0.00950878 -0.02258599 0.01614993 0.04683329 -0.00633944 0.00186619 0.00311554 +H 0.66110719 5.85479848 5.03831746 0.00064417 -0.00712464 -0.00865479 -0.06062571 -0.05612061 -0.04401267 -0.00577786 -0.01202623 0.01960693 +C 3.00321583 5.64770301 7.10511099 0.00232729 -0.00440291 0.00120878 0.01436645 -0.02160048 0.00477336 0.00146746 -0.00172966 0.00207908 +H 2.44133400 6.82457310 4.02385893 0.02004347 -0.00397346 0.00166221 0.15032254 0.00765235 -0.07376981 0.01139184 -0.00059160 -0.01116262 +C 4.38772022 5.91531659 7.16970552 -0.00416910 0.00435422 0.00266232 -0.01048444 0.03755249 0.02110106 0.00295405 0.00589332 0.00354739 +H 2.39556931 5.22999909 7.89347703 0.01446292 0.00296776 -0.00004233 0.13560160 -0.03106944 0.10189516 0.02175012 -0.00917423 0.01634572 +C 5.17514085 6.49050818 6.14268309 0.00649308 0.00331843 -0.00987016 -0.01442679 -0.00387495 -0.04704529 -0.01016646 -0.00418510 -0.00172244 +H 4.81222882 5.73642490 8.12082478 -0.01852799 0.00768203 -0.00277187 0.01016349 -0.02644262 0.05600660 0.01199496 -0.00724363 -0.00466037 +C 4.41415109 6.84188688 4.98086459 -0.00511168 0.00585430 -0.00530729 -0.00089607 0.03333410 -0.03327583 0.00303635 0.00158062 -0.00378674 +N 6.55037170 6.51972195 6.33115459 0.00169728 -0.00619658 -0.00399594 -0.00163163 -0.02204040 -0.04839740 -0.00135847 -0.00148194 -0.00844040 +C 3.05410521 6.58585423 4.88381562 -0.00128201 -0.00053323 0.00534298 -0.04532704 -0.01112118 0.04500631 -0.00796055 -0.00065296 0.00507296 +H 4.86204458 7.31776307 4.11502343 0.00607783 -0.03692390 -0.01326221 0.07437166 -0.20704988 -0.09929839 0.00871153 -0.01507900 -0.01093771 +C 7.37796056 7.31597366 5.65160482 -0.00292943 -0.00224918 0.00436397 0.00100589 0.01559601 0.02249138 0.00356500 0.00542237 0.00295244 +H 6.92437536 6.09396326 7.15028612 0.01491475 -0.01306801 -0.02953455 0.08664214 -0.17991695 -0.14512392 -0.00619797 -0.02306298 -0.02948207 +O 7.07870795 8.19935198 4.80285183 0.00700536 -0.00194810 0.00165256 0.04701744 -0.03082792 0.02098819 0.00589563 -0.00569320 0.00344493 +C 8.81159170 7.21765077 6.14622505 -0.00407714 0.00617462 0.00434666 -0.01528793 0.02327926 0.03122589 0.00182232 0.00480943 0.00424626 +H 9.57152876 7.31729481 5.40280015 -0.00027697 0.01368752 0.00145805 -0.07185822 0.12553037 -0.04776590 -0.03016549 0.01753575 -0.00395992 +H 8.99215399 7.88257567 6.93217060 0.02558931 0.02063906 -0.00163691 0.11243464 0.11275289 0.00531242 -0.00553244 -0.01238228 -0.01577319 +H 8.91156211 6.17665201 6.53579049 0.00677758 -0.01376984 -0.01676578 0.10376216 0.06001323 -0.09384535 0.02365954 0.00740280 0.00072357 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.06079277 5.54237264 5.82062644 0.00942516 0.00417869 0.00554942 0.06715841 0.02914031 0.03474269 0.00757930 0.00417502 0.00665921 +C 2.36179910 5.93833232 5.73974671 0.00478221 0.01363427 -0.00154959 0.01140124 0.09098725 0.00590107 -0.00182898 0.01055353 0.00038782 +H 0.79747610 5.74512797 6.67457560 0.00783890 -0.02209699 -0.00095644 -0.03425158 -0.16080745 0.06578347 0.00213736 -0.02623223 -0.01910135 +C 2.98828344 6.02367148 4.52911439 0.00013225 -0.01098664 0.00091608 0.00219389 -0.07694337 -0.03717619 0.00078420 -0.00814116 -0.00800856 +H 2.49346717 6.32838256 7.83382751 -0.00769610 -0.02706104 0.00854873 0.06193396 -0.12520051 -0.00133457 0.02098163 -0.00602132 -0.00692925 +C 4.31574346 6.42573798 4.41574763 -0.00757876 -0.00461369 0.00005322 -0.02500182 -0.00074062 0.00591341 0.00037649 0.00327074 0.00100440 +H 2.50456037 5.70045849 3.60555151 -0.00257150 0.02307599 -0.02950492 -0.04162780 0.15720155 -0.02015994 -0.01713668 0.00688255 0.00705815 +C 5.06365554 6.80084884 5.58356964 -0.00007380 0.00670251 -0.00318646 -0.03250164 0.02433986 -0.02833634 -0.00796585 0.00001378 -0.00422557 +H 4.69306236 6.60968193 3.41484831 0.00141262 0.01053835 -0.00822647 0.02626589 -0.07469205 0.04626437 0.00837066 -0.02627159 0.00852391 +C 4.39542323 6.78632391 6.84396665 -0.00337165 -0.00388566 -0.00802363 -0.02526893 -0.03403696 -0.03319678 -0.00335311 -0.00525948 -0.00208147 +N 6.40379007 7.00609764 5.40748576 -0.00012056 -0.00412432 -0.00024260 0.00329908 -0.02924472 -0.01344695 0.00155969 -0.00378227 -0.00360299 +C 3.03079320 6.37974241 6.90703000 -0.00139285 -0.00215743 -0.00350940 -0.00292038 -0.01803962 -0.01550077 0.00149168 -0.00260561 0.00037040 +H 4.86658098 6.94706265 7.78892470 0.00161202 -0.01196745 0.02624811 -0.02424111 -0.04105851 -0.06144940 -0.00254565 -0.00013720 -0.03230613 +C 7.39459671 7.09722852 6.26711466 -0.00005935 0.00503956 0.00206951 -0.00076012 0.04947789 0.02479021 -0.00085758 0.00817606 0.00462062 +H 6.65804634 6.97748035 4.44065093 0.00295494 -0.01374300 0.01176742 0.09241688 -0.07987872 -0.00848447 0.01449823 -0.00847805 -0.00067615 +O 7.21809596 7.21259561 7.46967813 -0.00076068 -0.00015325 0.00518634 -0.00236817 -0.00471923 0.03868944 0.00008672 -0.00092680 0.00546646 +C 8.79952956 7.29078848 5.72551939 -0.00219238 -0.00066732 0.00091573 0.00176490 0.00498381 0.00502797 0.00061069 0.00378983 0.00158473 +H 9.15076225 6.87963304 4.74399801 -0.01674139 0.01015213 -0.02058187 -0.26012957 0.05019057 -0.01093691 -0.04537304 -0.00148896 -0.00499089 +H 9.04183666 8.32225158 5.72098327 0.00262319 0.01137649 0.00571811 -0.02453756 0.04637282 0.01276702 -0.00547822 -0.01546161 0.00121274 +H 9.48861873 6.96160019 6.53101123 -0.00905140 -0.02338423 -0.01330381 -0.02290862 -0.23032317 -0.13630180 0.00920067 -0.03853571 -0.01954729 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96709939 5.61383542 5.88738325 0.00416709 0.00179275 0.00280496 0.04549919 0.01417483 0.02753890 0.00623436 0.00159188 0.00343292 +C 2.33056457 5.91486881 5.96506900 0.00017131 0.00210504 0.00037136 -0.01073134 0.03325054 -0.00232754 -0.00087888 0.00768123 -0.00200016 +H 0.71771707 5.54404872 4.97379403 -0.00875946 -0.00422721 0.03044218 -0.12966410 -0.02905204 0.06617838 -0.01076366 0.00058762 0.01530647 +C 3.00111218 5.84161981 7.17272685 0.00416454 0.00271986 -0.00151889 -0.00367856 -0.01502983 0.01061173 -0.00182369 -0.00589858 0.00171985 +H 2.51855553 6.61739694 3.99170857 -0.00494976 -0.02000529 -0.02939509 0.02263153 -0.08687218 -0.11787609 0.01570168 -0.00557724 0.00323919 +C 4.34816246 6.01032005 7.18262990 0.00052932 0.00107330 -0.00641330 0.03057999 0.01753342 0.00120606 0.00624019 0.00329767 0.00712818 +H 2.49356716 5.52961422 8.08369420 0.01229057 -0.04075213 0.03262068 0.14343216 -0.15543978 -0.05405804 0.00820394 -0.01024059 -0.02111461 +C 5.09178859 6.54187909 6.11798066 0.00005514 0.00186152 -0.00168991 -0.01219909 0.00062413 -0.00972212 -0.00316231 -0.00115664 -0.00043922 +H 4.75189690 5.82942871 8.13311168 0.00174969 -0.00179063 0.01979929 0.08781947 0.00113338 -0.01549518 0.01923912 0.00213400 -0.02846229 +C 4.42314954 6.78694787 4.90063360 -0.00325968 0.00223554 0.00480638 -0.02323531 0.02262122 0.03648616 -0.00314716 0.00422848 0.00238936 +N 6.44445990 6.66612990 6.33841606 -0.00836086 -0.00378233 -0.00325039 -0.02452321 -0.01679303 -0.01541080 0.00120573 -0.00193218 0.00032588 +C 3.03389887 6.48862320 4.89627446 0.00245213 -0.00358924 -0.00662912 0.00021534 -0.03471310 -0.07845413 -0.00334698 -0.00642467 -0.01341483 +H 4.94235743 7.23289978 4.08860297 0.00765893 0.00052726 -0.00131930 -0.01619637 -0.05535465 -0.01737702 -0.01415909 -0.01646657 0.00639873 +C 7.39570695 7.34808561 5.66785787 -0.00053317 -0.00212980 0.00813175 -0.00421231 -0.02761529 0.05741390 -0.00222957 -0.00141137 0.00324751 +H 6.83601100 6.30697319 7.17325445 -0.00109552 0.00374675 0.00611020 -0.11193819 -0.05370625 0.01365960 -0.02836370 -0.01544820 -0.00865684 +O 7.17744753 8.08907983 4.78235723 0.00535097 0.00016825 0.00032918 0.03208150 0.01280212 -0.01428580 0.00399015 0.00170892 -0.00219102 +C 8.85487391 7.11758157 6.13694827 -0.00679749 0.00385715 -0.00272845 -0.05852444 0.03293623 0.00018612 -0.00581263 0.00249799 0.00578844 +H 9.34785922 6.29814900 5.65533902 -0.01701554 0.00638427 -0.00874864 -0.11210412 -0.00334596 -0.07743388 -0.02504701 0.00612373 -0.00310845 +H 9.36615125 8.06111369 5.99711265 0.02173062 -0.01181870 -0.00348081 0.14976245 -0.08853712 -0.04312324 0.00489142 -0.01563325 -0.00644460 +H 8.75893980 6.98322979 7.15266370 -0.00815631 -0.00754503 0.01695695 0.05019408 -0.07644202 0.06581277 0.01999676 -0.00455241 -0.03405462 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.91804220 5.82640747 5.88229812 0.00275745 0.00041396 0.00307947 0.02787312 0.01289699 0.02398148 0.00348109 0.00250823 0.00355002 +C 2.27126038 6.15372514 5.92656688 0.00028714 -0.00250896 -0.00171964 -0.01778236 -0.03603044 -0.01583583 -0.00228042 -0.00669904 -0.00265025 +H 0.71462691 5.01750611 5.38523595 -0.00478095 0.02275275 0.00442204 -0.03932412 0.05712837 -0.01853415 -0.00393818 -0.00340393 -0.00736998 +C 2.64223622 7.41957313 6.37109820 0.00569051 -0.00997135 -0.00253757 0.03277268 -0.05653564 -0.00818182 0.00111767 -0.00238613 0.00153948 +H 2.86222156 4.37995445 4.99528976 -0.00376682 0.01480806 -0.00611449 0.02750285 -0.11352981 0.01030549 0.02572541 -0.01076654 0.02868879 +C 3.98162347 7.71500515 6.43980151 0.00812575 0.00518175 -0.00528079 0.06159188 0.04013957 -0.03590854 0.00506807 0.00621971 -0.00408441 +H 1.98811873 8.13829319 6.65412048 -0.01580285 -0.01334721 0.00102028 -0.12679171 -0.10625248 0.03543020 0.01825341 -0.04203183 -0.00332495 +C 4.99898806 6.84529420 5.95592882 -0.01106543 -0.00238313 -0.00156807 -0.03723813 0.00944313 -0.00421341 0.00456810 0.00649502 -0.00013246 +H 4.29168690 8.66532611 6.83201337 0.01081048 0.00064994 0.00855443 0.03027990 0.03390944 0.02376886 -0.00070458 0.00552466 -0.00588744 +C 4.59258728 5.54288400 5.48694807 -0.00763363 0.01014736 -0.00157050 -0.02601115 0.06485556 -0.00556430 -0.00049827 0.00553852 0.00051679 +N 6.30142120 7.42511589 5.99307087 0.00379625 0.00180990 0.00216074 -0.00655425 -0.01509142 0.00621579 -0.00654366 -0.00357587 0.00028953 +C 3.22071581 5.21068306 5.49565175 0.00293944 -0.00153813 0.00070912 0.00828527 0.00674827 -0.00890866 -0.00270374 0.00005685 -0.00510047 +H 5.35874495 4.89682704 5.06535033 -0.00469133 -0.02264889 0.04469628 -0.09733632 -0.09405911 0.26911786 -0.01298531 0.00027003 0.02212413 +C 7.53040015 6.89944953 5.80869035 -0.00549463 -0.00209601 0.00126909 -0.00847576 -0.02767840 0.01395662 0.00238785 -0.00341036 0.00283396 +H 6.32153821 8.37144717 6.17008248 -0.00978052 0.00274586 -0.00390137 -0.03317285 0.04835229 0.01272616 0.00330211 -0.03055773 -0.00016690 +O 7.81401210 5.69941159 5.55210253 0.00313804 0.00324485 -0.00104693 0.00489113 0.03311515 -0.00702155 -0.00149638 0.00436686 -0.00127038 +C 8.72389191 7.83798911 6.07695315 -0.00526938 -0.00217332 -0.00384925 -0.03555250 -0.02298019 -0.00583106 -0.00538951 -0.00365746 0.00171691 +H 9.04651523 7.69425645 7.12986181 0.01430022 -0.00421270 0.00946220 0.02487870 -0.04300153 -0.09700267 -0.00635446 -0.01079115 -0.00754492 +H 9.55747390 7.58683829 5.37049290 0.01824898 -0.01455585 0.03099979 0.04829960 -0.02205103 0.19911912 0.00641704 0.00366030 0.00571900 +H 8.43559940 8.89556503 6.01641646 -0.00286768 -0.00576381 0.02191941 0.00373355 -0.01849429 0.04940587 0.00266697 0.00296087 -0.00857014 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.90012766 5.82670843 6.00348129 0.00896273 -0.00344604 0.00038911 0.04959254 -0.02811791 0.00246552 0.00377939 -0.00504036 0.00052759 +C 2.23906164 6.14190987 5.86781955 -0.00184202 -0.00243210 0.00379475 -0.01373227 -0.01889904 0.02194446 0.00100121 0.00017489 0.00136431 +H 0.58917124 4.96750498 6.10289816 0.00415601 -0.02094501 -0.01082857 0.17196023 -0.06553951 -0.07381776 0.04026250 0.00144776 -0.01036255 +C 2.57951816 7.42290993 5.50357024 -0.00145946 -0.00046424 0.00150231 0.02070243 0.01270834 0.00847885 0.00418003 0.00271156 0.00084510 +H 3.07029155 4.20142779 6.31480349 -0.02858381 0.03422868 0.01668140 -0.23345259 0.00645205 0.14698240 -0.00876418 0.01127561 0.00648330 +C 3.97914051 7.83708877 5.40265241 -0.00209038 0.00084120 -0.00271589 -0.05063194 0.00172415 -0.01237792 -0.00625941 -0.00011636 -0.00055477 +H 1.72049481 8.08631911 5.35923744 0.02143268 0.00034612 -0.00583402 0.12642205 0.10834609 -0.08661760 0.00915584 0.02338855 -0.01389384 +C 4.99189305 6.94913951 5.73612542 0.00557632 0.00495774 -0.00187334 0.02827003 -0.01375054 -0.01973601 -0.00037574 -0.00600178 -0.00440973 +H 4.14651333 8.84961526 5.10563534 -0.00731460 -0.00283757 0.00062974 0.00738914 0.02360852 0.00038594 0.00200942 -0.00364909 0.00157313 +C 4.60062322 5.56616271 6.01804356 -0.00479921 0.00020984 0.00018878 -0.00539523 0.04833628 -0.00055413 0.00267952 0.00967948 0.00028822 +N 6.33860692 7.39853575 5.64636905 -0.00045408 -0.00343960 -0.00150384 0.01792570 -0.02311823 0.00201033 0.00563154 -0.00085350 0.00122263 +C 3.23736392 5.19726609 6.07817114 -0.00194449 0.00074983 -0.00068721 0.00031825 0.00806939 0.00164368 -0.00073248 -0.00177601 0.00302612 +H 5.44235584 4.90680629 6.22655406 -0.01407779 0.00536748 0.00740680 -0.14155042 -0.08254884 0.05393109 -0.01779924 -0.01872195 0.00660774 +C 7.54652415 6.85028437 6.05502082 0.00249617 0.00451866 -0.00469170 0.01437881 0.03236762 -0.03946429 0.00037665 0.00217589 -0.00520964 +H 6.43124286 8.33710115 5.28238195 0.01015573 -0.01234123 0.01692969 0.04514211 0.01480609 0.08772812 -0.00167572 0.00775477 0.00882440 +O 7.74049433 5.70037427 6.40900628 -0.00698755 0.00732100 -0.00240022 -0.05911491 0.04035895 -0.01387054 -0.00944142 0.00398628 -0.00160805 +C 8.84813827 7.72289574 6.07235468 0.00291234 -0.00655727 0.00061714 -0.01274420 -0.04111009 0.02163522 -0.00340995 -0.00601944 0.00543754 +H 8.83926059 8.15711022 7.08511130 0.02222290 -0.01982471 0.00870001 0.17423657 -0.14548367 0.02138415 0.01774380 -0.01627308 0.00717825 +H 9.74558670 7.15666040 5.91174177 -0.00204765 -0.01573053 0.02953239 0.00855376 -0.09501611 0.09436909 -0.01106369 -0.00019026 -0.01047637 +H 8.76895509 8.58577105 5.37327122 -0.01727254 -0.00370085 0.03565574 -0.03223622 0.01146252 0.12834643 0.01201157 0.01368952 -0.00515407 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.05707962 5.53728879 5.87268202 -0.00272339 0.00073882 0.00256188 0.00246051 0.01795775 0.02271958 0.00109733 0.00257803 0.00145211 +C 2.36215639 6.07187745 5.92292470 -0.00057605 -0.00743700 0.00572091 -0.03051297 -0.06197213 0.05345483 -0.00289654 -0.00687770 0.00500691 +H 0.86306734 5.24245644 5.02799458 0.00641471 0.00677602 0.01460149 -0.02424152 0.00947926 -0.01667269 -0.00189935 0.01164016 0.02428084 +C 2.97247817 6.10157103 7.20912436 0.00360457 0.00097823 0.00974382 0.01684440 0.00370260 0.03058536 -0.00490095 -0.00254202 0.00039353 +H 2.48022907 6.49187573 3.80074653 0.01676143 0.00937491 0.00590720 0.10388232 0.01057279 -0.05281867 0.00346441 -0.00491257 -0.02857238 +C 4.31938545 6.43551944 7.37037449 -0.00290468 -0.00237640 -0.00481737 -0.01420620 -0.01391363 -0.04812873 0.00118442 -0.00066216 -0.00751682 +H 2.54266430 5.85015790 8.16179136 -0.00572022 0.00601805 -0.04826981 -0.25970513 -0.09233546 -0.07563805 -0.02836904 -0.01506876 0.00470870 +C 5.00280145 6.83511192 6.20386021 -0.00526329 0.00013700 -0.00466153 -0.01307848 0.00029139 -0.03123394 0.00134961 -0.00037924 -0.00300012 +H 4.76889872 6.28009218 8.33897654 0.01222248 -0.00229346 -0.00992851 0.07352682 0.08642363 -0.08177851 0.00268172 0.02204651 -0.01239945 +C 4.39451019 6.81463982 4.89047480 0.00307865 0.00112496 0.00221510 0.00653381 0.01166650 0.01078349 -0.00148299 0.00239737 -0.00100493 +N 6.32050952 7.23810958 6.42072874 -0.00503249 0.00055288 -0.00068018 -0.03477058 0.00579652 0.00549964 -0.00340867 0.00008577 -0.00170034 +C 3.02874221 6.43398429 4.77183979 -0.00256336 0.00377929 -0.00738697 0.00522714 0.03015306 -0.02381436 0.00289073 0.00297892 0.00496236 +H 4.92582281 7.11547378 4.01732799 0.01358700 0.00547007 -0.01167015 0.04860422 0.00961387 0.03548284 -0.00217663 -0.00283949 0.02160895 +C 7.38447637 7.08169653 5.66719328 0.00171383 0.00297822 -0.00003968 0.03474537 -0.00309497 -0.03830847 0.00488138 -0.00232090 -0.00601117 +H 6.57745711 7.56075574 7.35937330 -0.02592806 0.00735954 0.01828532 -0.21382283 0.02997702 -0.01543271 -0.02015811 0.01103348 0.00181345 +O 7.41774134 6.48015249 4.54555311 0.00674217 -0.00118443 -0.00290023 0.03855753 0.00777679 0.00472208 0.00440281 0.00265363 0.00274854 +C 8.73738129 7.58124574 6.21938678 0.00175243 -0.00228725 0.00108360 0.00294335 -0.01029294 0.00929109 0.00308208 -0.00246690 0.00225046 +H 9.24768154 6.85360374 6.72859445 0.00405424 -0.00009321 0.01855231 -0.04136809 0.00038539 0.25015666 -0.03654921 0.03163042 0.01560478 +H 9.43952649 7.69643921 5.43225912 -0.00818096 -0.01355823 0.01681450 0.01765744 -0.04583597 -0.08218443 -0.00349025 -0.00547069 -0.00983290 +H 8.67820780 8.55651533 6.67023842 0.00673053 0.01731018 -0.01160848 0.02634978 0.02057001 -0.02779521 -0.00238261 -0.01464881 -0.00163488 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97499132 5.72770996 5.95634365 -0.00553201 -0.00588077 0.00546369 -0.01927498 -0.03228206 0.03532232 -0.00032869 -0.00259171 0.00220856 +C 2.31834496 6.13113969 5.82205704 -0.00444612 -0.00061079 0.00549700 -0.05880646 -0.00501742 0.00303893 -0.00846480 0.00010480 -0.00499704 +H 0.71920238 5.43000894 6.85606779 -0.00800955 -0.01044705 0.00888654 -0.00859299 -0.06161900 -0.01109656 -0.00272559 -0.01893867 0.02295388 +C 2.74583642 6.84780611 4.68102396 0.00046892 0.00327714 -0.00615481 0.01873416 0.01644535 -0.01831961 0.00283915 0.00006936 0.00274294 +H 2.83653138 5.10764896 7.60066723 -0.02951690 0.01668027 0.00368795 -0.01455802 0.12968782 0.01304803 0.01740987 0.00372988 0.02191716 +C 4.11360225 7.30955091 4.58508399 0.00681369 -0.00064760 -0.00028308 0.00472931 -0.01416676 -0.02695793 -0.00596884 -0.00308309 -0.00727643 +H 2.03006441 6.99157060 3.85889230 0.00420486 -0.00037828 0.00035019 0.03226618 0.08924985 0.00365025 0.00120806 0.02417042 -0.00524913 +C 5.06845796 6.91908001 5.53920388 -0.00358143 0.00648211 -0.00486754 -0.02225463 0.03601847 -0.00639108 -0.00158952 0.00240455 0.00338706 +H 4.43907054 7.86411896 3.70588435 -0.01976575 -0.00406261 -0.01178554 -0.09979397 -0.02899616 -0.04751527 0.00002548 0.00040187 -0.00639284 +C 4.58603782 6.21364988 6.68241726 -0.00138622 -0.00269528 -0.00429726 -0.02143340 -0.03626023 -0.04278947 -0.00391519 -0.00543810 -0.00828896 +N 6.39179072 7.33554132 5.39392929 0.00091751 0.00147732 -0.00373507 0.01004138 -0.00138963 0.00042256 0.00064085 -0.00058453 0.00254008 +C 3.23271066 5.72569023 6.76576639 -0.00376972 -0.00040989 -0.00127211 -0.01014663 0.01463219 0.00984022 -0.00042517 0.00558336 0.00140460 +H 5.26900861 5.83672912 7.45533285 0.01051205 0.01936117 -0.01650369 0.00014791 0.14555017 -0.02425034 -0.00644540 0.01206831 0.01665767 +C 7.43692351 6.87102831 6.19080049 0.00125387 -0.00000667 -0.00601469 0.01581737 0.00226503 -0.04494955 0.00504032 -0.00054936 -0.00333752 +H 6.54299839 8.09831320 4.76833432 -0.02115466 0.00975973 -0.00065068 -0.04197770 0.04079983 0.02361245 0.01172736 -0.00557544 0.01263927 +O 7.46134530 5.83734198 6.86884985 0.00322478 -0.00097902 0.00379060 0.01618355 0.00516702 0.01410325 0.00113327 0.00324878 -0.00070002 +C 8.70756908 7.70157177 6.19489494 0.00871176 -0.00289660 0.01123490 0.06758683 -0.00122851 0.06299347 0.00913582 0.00260134 0.00623915 +H 8.57540481 8.72877802 5.91141329 0.01503302 0.01571784 0.02381164 0.03418843 0.01125196 0.10168220 -0.00341181 -0.01579188 0.00495188 +H 9.07719846 7.78489941 7.20281603 0.03429213 0.02035519 -0.00289648 0.21795823 0.01701554 0.03147171 0.02072354 -0.02306180 -0.00057509 +H 9.53587479 7.29945702 5.60628738 -0.01015908 -0.00833498 -0.02651078 -0.14131279 -0.04444623 -0.12389667 -0.02029089 0.00051932 -0.00548278 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98739590 5.79720801 5.90539053 -0.00775148 -0.00259252 0.00405268 -0.03043735 -0.01174533 0.02555540 -0.00138005 -0.00301118 0.00173088 +C 2.34011283 6.12753941 5.86604306 0.00238633 -0.00173630 -0.00153082 -0.03105421 -0.01567901 -0.00395239 -0.00865562 -0.00036410 0.00099337 +H 0.72232785 5.06748388 5.42621827 0.00689640 -0.00341037 0.01050768 0.04799173 -0.09328447 0.05029949 0.01257917 0.00962744 0.02448285 +C 2.65104291 7.45839760 6.11874997 0.00272382 0.00539840 0.00138458 0.03117834 0.03377854 0.00704433 0.00203458 0.00502294 0.00030923 +H 3.10711890 4.07992928 5.50676525 -0.01033297 -0.00108364 -0.01280792 -0.06304476 0.05528862 -0.08416320 -0.00305323 0.00443363 -0.00952152 +C 3.96367388 7.89976896 6.20565117 0.00090079 0.00443489 -0.00433430 0.04230613 -0.00529002 -0.01782626 0.01070886 -0.00415205 0.00005909 +H 1.96433201 8.20399044 6.36943211 0.04154980 0.01068466 -0.01372164 -0.02570982 0.13598041 -0.08788931 -0.01538634 -0.00718212 -0.01518277 +C 5.00992991 6.90620889 6.08237211 0.00748174 0.00389775 0.00285338 -0.01357617 0.00617856 -0.00239801 -0.00972357 -0.00451720 -0.00429534 +H 4.11120719 8.93640865 6.49170439 0.01713869 -0.01614016 0.01442508 0.16508251 -0.03662018 0.04090173 0.02219285 0.00175326 -0.00785584 +C 4.64820088 5.55455448 5.78250004 -0.01151786 -0.00418192 -0.00220917 -0.02751652 -0.00683484 -0.01270871 0.00711819 0.00099297 -0.00076342 +N 6.28788775 7.29844838 6.29048761 -0.00311864 -0.00307662 -0.00305604 0.00120247 -0.01696363 -0.01168211 0.00174893 -0.00315729 -0.00120847 +C 3.31027946 5.13678186 5.67161944 0.00657884 -0.00081603 -0.00228597 0.01962759 -0.00013137 -0.01650908 -0.00470453 0.00182042 -0.00264628 +H 5.40880773 4.87909736 5.59305733 -0.00513670 -0.01967201 0.01399489 -0.05612067 -0.13926800 0.11816397 -0.02706116 0.00578242 0.01783706 +C 7.47218140 6.82597117 5.80007613 -0.00564968 0.00263422 0.00223328 -0.01588073 0.02241983 0.00650096 0.00388314 0.00126943 -0.00242300 +H 6.35678711 8.09191230 6.96248683 -0.01605234 -0.01478136 0.01762443 -0.03623339 -0.11953241 0.01982683 0.01044253 0.00848875 0.01148542 +O 7.70987591 5.91291915 5.01538536 0.00613731 -0.00288511 -0.00263186 0.02215901 -0.01418780 -0.00822610 -0.00027047 0.00012774 0.00130964 +C 8.63818250 7.67057301 6.23938164 0.00350667 0.00463814 0.00000394 0.00809242 0.03258238 0.00877429 -0.00123966 0.00465827 0.00320267 +H 8.60100232 7.93711626 7.27507576 -0.01792752 -0.00636404 0.01431624 -0.02843001 -0.10001603 0.05286126 0.00851929 -0.01791747 -0.00971861 +H 9.54966678 7.20202278 5.87936468 -0.00310734 0.02391733 0.00861147 0.11080154 0.08709056 0.12340208 0.01693683 0.00689784 0.02189389 +H 8.63971092 8.61664957 5.69483567 -0.02045941 -0.01348359 0.01325784 -0.15666661 0.05905992 0.02415546 -0.01638159 0.02138613 0.00140779 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.86838977 5.79363136 5.95465897 0.00073157 -0.00797098 -0.00219673 0.03757077 -0.04146972 -0.00890560 0.00902527 -0.00411616 -0.00053328 +C 2.24624580 6.12554622 5.90444790 0.00465914 0.00588283 -0.00360511 -0.00885265 0.00778413 -0.04085903 -0.00592099 -0.00110170 -0.00648593 +H 0.46677322 6.28549773 6.62013530 -0.00417961 0.00299204 0.00900033 -0.03265973 -0.05695866 -0.04739738 -0.00440491 -0.01706284 -0.02044505 +C 2.66907111 7.34710732 6.40573830 0.00363488 -0.00240239 0.00042983 0.03400381 0.00933143 0.01603036 0.00420109 0.00346656 0.00395139 +H 2.86430416 4.33914634 4.87150838 -0.00295737 0.01337376 0.01687702 -0.00750531 -0.06363182 0.05826602 0.00979608 -0.00095893 0.01218015 +C 4.02628408 7.69943282 6.37812567 0.00647154 0.00053806 -0.00016577 0.03302861 0.02748598 0.02775279 0.00275914 0.00532889 0.00627704 +H 2.06751927 8.11634077 6.85129193 -0.00147441 -0.00440064 0.02259425 -0.07441489 -0.14853703 0.09241539 -0.01208613 -0.03006238 0.00330731 +C 5.01840662 6.85119804 5.92778755 0.00444745 0.00748736 -0.00960555 0.00863055 0.04977612 -0.06808951 -0.00302146 0.00589379 -0.00892241 +H 4.27796941 8.62687844 6.89783663 0.01944286 0.00904468 0.02765999 0.08915431 -0.04916836 0.01824933 0.00899743 0.00051848 -0.00723801 +C 4.60654228 5.61788115 5.37965869 -0.00512598 0.00616030 0.00791110 -0.03182517 0.01629002 0.03695855 -0.00155802 -0.00314157 0.00108321 +N 6.29566266 7.37369271 6.05053784 -0.00410942 -0.00080750 -0.00252280 0.00694775 -0.02672037 -0.01739117 0.00504434 -0.00459115 -0.00223233 +C 3.21052835 5.24256251 5.30552936 -0.00590227 -0.00111984 0.00133345 -0.02204621 0.02857043 0.03081571 -0.00046838 0.00533701 0.00550987 +H 5.35246712 5.00300315 5.05008030 0.00594081 -0.01570564 0.00407848 -0.04843183 -0.08872208 0.01722042 -0.03898218 0.01290034 0.01354677 +C 7.55228572 6.84572913 5.85602813 -0.00668212 -0.00641215 -0.00263424 -0.04385706 0.01752661 0.00094747 -0.00296733 0.00786827 0.00183383 +H 6.32957224 8.24609808 6.57526753 0.01795529 -0.01615557 -0.01206652 0.07841915 0.02193920 -0.09742000 -0.00077269 0.01509763 -0.01698785 +O 7.82382555 5.75752605 5.46347298 0.00282709 0.00523566 0.00333423 0.01519439 0.00340003 0.01053449 0.00091053 -0.00346144 -0.00008594 +C 8.71883946 7.82425025 6.18275772 -0.00162596 -0.00289438 0.00361729 -0.04412156 -0.03730711 0.01279098 -0.00969095 -0.00617637 -0.00020533 +H 9.60922031 7.27255530 6.49161519 -0.01536415 -0.00221853 -0.00889324 0.00449940 -0.04422562 -0.08129679 0.00654457 -0.00673246 -0.01159245 +H 8.85968776 8.45983188 5.32193359 -0.01111542 0.00211100 0.00850700 0.00779737 0.01762827 0.03856981 0.00760568 -0.00370920 0.00893388 +H 8.43720697 8.45303182 7.04181839 -0.00615821 -0.02067235 -0.01835701 -0.05674797 -0.03619634 0.02241353 -0.00589753 0.00585418 0.02289988 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95129918 5.70711092 5.76779368 -0.00636752 -0.00448913 0.00208950 -0.03122533 -0.02643447 0.02525571 -0.00214598 -0.00246642 0.00316127 +C 2.26923931 6.02523256 5.91748456 -0.00203241 0.00776882 -0.00088073 0.01170059 0.03049662 0.01354417 0.00253135 0.00132198 0.00133553 +H 0.61691201 5.89758589 4.90698829 -0.00705971 -0.02649420 0.02322197 -0.10214762 -0.14479631 -0.00322297 -0.00472707 -0.01822003 0.01015279 +C 2.98560251 5.68133220 7.12048869 0.00377494 -0.00361632 -0.00784101 -0.00824788 -0.02690134 -0.05305438 -0.00047354 -0.00278573 -0.00728702 +H 2.53355477 6.95148398 4.05743592 -0.01565482 -0.01424787 0.00895980 -0.01084757 -0.12291283 -0.11893216 0.01658255 -0.01734589 -0.03565666 +C 4.34888064 5.89503907 7.24748127 -0.00134304 -0.00145138 0.00279911 0.02756241 -0.01065438 0.02402407 0.00623417 -0.00142331 0.00378123 +H 2.40576356 5.22930159 7.97602783 0.02034497 -0.01462281 0.00002712 0.14754408 -0.08419491 -0.09767648 -0.00606882 -0.02530421 0.00058856 +C 5.15596940 6.47794657 6.24528662 0.00753595 0.00591556 0.00716039 0.01331936 0.02807415 0.06451290 -0.00569183 0.00335081 0.00664113 +H 4.87342424 5.54227483 8.13074298 0.00359958 0.00473992 0.00039410 -0.04367396 0.03343939 0.06785417 -0.01064078 0.00076255 0.02090811 +C 4.48008399 6.83806046 5.12377371 -0.00100496 -0.00061167 0.00029406 -0.03449665 -0.00684699 -0.03420915 -0.00478118 -0.00194013 -0.00625298 +N 6.51504465 6.65203638 6.46396297 0.00105509 0.00605689 -0.00077672 0.01081387 0.04417818 -0.00126128 0.00091239 0.00589354 0.00133413 +C 3.07365902 6.54345496 4.90786641 -0.00061801 0.00406806 -0.00920694 -0.00427030 0.04901722 -0.04356410 -0.00297641 0.00819451 -0.00225473 +H 4.96901854 7.33029386 4.28924063 0.02304519 -0.02524717 0.01371328 0.07276236 -0.13384331 -0.01415603 -0.00623047 -0.00954427 -0.02490261 +C 7.37893355 7.32270256 5.67069526 -0.00692339 0.00103757 0.00621494 -0.02108140 0.01415619 0.01784460 0.00325781 0.00378184 -0.00244735 +H 6.92441749 6.26144105 7.32249339 0.00663501 0.00838535 -0.01337596 0.03510720 0.02818097 -0.04336001 0.00795429 -0.00420323 0.01074328 +O 7.09489372 7.86361789 4.61310840 0.00193905 -0.00148674 0.00091480 0.01310818 -0.00571395 0.00599965 0.00148622 0.00000417 0.00075096 +C 8.82837250 7.36956679 6.06155958 0.00254312 -0.00505191 -0.00147730 0.01213018 -0.03202524 -0.02006731 -0.00199759 -0.00545442 -0.00089745 +H 9.33677141 6.47110978 5.62661070 0.00317623 -0.00372767 -0.01560967 -0.00982049 -0.01502504 0.07066800 0.00307608 -0.02100586 0.02265307 +H 9.35719940 8.27711758 5.60139872 0.01758169 -0.01723774 -0.00123202 0.03832613 -0.14092893 0.03383576 0.01249028 0.01107525 -0.00699860 +H 8.80072459 7.50410976 7.14496544 -0.01906470 0.00311089 -0.01798768 0.05035389 -0.06352405 -0.00455234 0.03179501 -0.01915006 0.00983541 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95832149 5.66835026 5.95354116 0.00774498 0.00234308 0.00433522 0.03751349 0.01590398 0.02698430 0.00398256 0.00521153 0.00161847 +C 2.23932722 6.09506340 5.80443359 -0.00006810 0.00305423 -0.00628944 0.04500903 0.04462340 -0.02401407 0.00916204 0.00516396 0.00062462 +H 0.77045254 4.84302021 6.41181416 -0.01734530 -0.00671802 0.02007837 0.03462649 0.08446198 0.05862706 0.01980668 -0.00671037 0.01919877 +C 2.58390628 7.47564414 5.44112851 0.00097465 0.00355643 -0.00353529 -0.00207944 -0.02888065 -0.02725697 -0.00351327 -0.00834623 -0.00535467 +H 3.08197542 4.24622245 6.50580722 -0.00925132 0.00095748 -0.01425297 -0.01212688 -0.02989482 -0.06778110 -0.00161930 -0.02137254 0.00060293 +C 3.95570258 7.87665351 5.37200675 -0.00396139 -0.00642142 -0.00509348 -0.03087153 -0.04504788 -0.02592510 -0.00296625 -0.00480559 -0.00173206 +H 1.79938511 8.11307752 5.12335150 -0.00629327 -0.02614014 -0.00052953 -0.07643596 -0.02065994 0.00567766 0.00692051 0.00542111 0.00821045 +C 4.99252979 6.98443379 5.71821629 -0.00183188 0.00307177 0.00737231 0.01015992 0.01012280 0.05813813 0.00309918 0.00024142 0.00788897 +H 4.21188741 8.87894083 5.03480895 -0.02005290 -0.01835000 0.01951354 -0.10736732 0.01227783 0.06789355 -0.00863788 0.01284490 -0.00192846 +C 4.66390664 5.67952862 6.16952575 -0.00494265 0.00115242 -0.00015953 -0.04008976 0.01252424 -0.01799112 -0.00318016 -0.00260636 -0.00256076 +N 6.35074746 7.41671486 5.72573122 0.00119643 0.00131090 0.00201010 0.00652205 0.00983547 0.02008729 0.00011387 0.00069232 0.00342380 +C 3.33748199 5.27615380 6.19920123 -0.00332904 -0.00479589 0.00010371 -0.05568682 -0.03124608 -0.00943292 -0.00925265 -0.00148633 -0.00385367 +H 5.35651362 4.94234110 6.29175472 -0.01909813 0.00040726 -0.00056215 0.03346212 -0.03949882 0.11744063 -0.01113094 0.02798313 0.01925608 +C 7.52839711 6.79459142 6.04635184 0.00539034 -0.00319693 0.00228068 0.01741590 0.01340023 -0.00177966 -0.00142423 0.00671962 -0.00232468 +H 6.51268954 8.41047495 5.64815535 -0.00788709 0.01410021 -0.03415306 -0.09555515 -0.05300263 -0.24291420 -0.01039321 -0.01787635 -0.03089920 +O 7.68422034 5.57997333 6.28988284 0.00217904 0.00291784 -0.00367643 0.01676820 0.02724532 -0.02549192 0.00258641 0.00424418 -0.00342111 +C 8.71008557 7.83479044 6.06052789 0.00171530 -0.00166810 0.00185896 -0.00158639 -0.05003822 0.02802520 -0.00198163 -0.00796717 0.00100532 +H 8.62151987 8.65451905 5.43955112 -0.02559261 0.01340700 0.02666774 -0.16462038 0.10064105 0.10436216 -0.00703896 -0.02915542 0.02472544 +H 8.74031062 8.12482704 7.16447602 0.00145690 -0.00312611 -0.00935866 0.09901796 0.01287677 -0.07351178 0.02633458 0.00802005 0.02265812 +H 9.60003816 7.28287947 5.80173861 0.00204615 -0.01372762 -0.00453867 0.02468730 -0.00051966 -0.03148062 -0.00025141 0.01708058 -0.00563805 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02051886 5.70597220 5.76009091 0.00055325 0.00389036 0.00008033 -0.00402276 0.02305934 -0.00622011 -0.00359059 0.00385902 0.00009450 +C 2.35188764 5.97954478 5.77475994 -0.00081270 -0.00688133 0.00097795 -0.00695353 -0.04184893 0.02358834 -0.00044419 -0.00459761 0.00508538 +H 0.46176041 6.04871243 6.39979323 -0.00164856 0.01762505 -0.02450384 0.00647662 0.20867042 -0.06851233 0.02677489 0.02120033 -0.02346170 +C 3.14246149 5.17286377 4.94249629 -0.00412029 -0.01108879 -0.00055152 -0.02237281 -0.04875248 -0.00867160 -0.00014854 -0.00141160 -0.00155664 +H 2.30204357 7.59233531 7.33501464 -0.01250268 -0.00963187 0.03410998 0.02425589 -0.19336129 0.05383998 0.00074236 -0.01842767 -0.00000313 +C 4.51490120 5.39204147 4.95674396 0.00484244 -0.00033541 0.00412670 0.02868020 0.00069854 0.01860038 -0.00027501 -0.00065462 0.00049100 +H 2.67779514 4.51699217 4.24069748 -0.02282742 0.01806881 -0.04318314 -0.03896425 0.06986775 -0.10113483 0.01375213 -0.00115852 0.01836149 +C 5.11906240 6.46453053 5.70031730 -0.00204499 0.00617071 -0.00034986 -0.03128018 0.00495524 -0.00392043 -0.00540256 -0.00446458 -0.00016259 +H 5.10764163 4.74409874 4.31415725 -0.00028499 -0.00026480 -0.00038614 0.03770213 0.04652758 0.00261312 0.01495421 0.00969526 -0.00230765 +C 4.29576026 7.20817349 6.57981168 0.00084533 -0.00368268 -0.00312146 0.00135867 -0.00891460 -0.00790039 -0.00098185 0.00169148 0.00007310 +N 6.48988598 6.55092097 5.59891384 -0.00834769 -0.00148128 0.00714969 -0.03305633 -0.02078050 0.02541942 -0.00070650 -0.00308735 0.00049015 +C 2.90967044 6.95013840 6.66211713 0.00046746 0.00399472 -0.00249858 -0.00634590 0.01802067 -0.02432822 -0.00064649 -0.00205868 -0.00561800 +H 4.67203455 7.94477992 7.27102363 0.02255658 0.01236905 -0.01492519 0.10598192 0.02628739 -0.15117007 0.00178220 -0.00193897 -0.01617839 +C 7.37306180 7.36447602 6.14076438 0.00750261 0.00088999 -0.00344023 0.01861887 0.03642354 -0.00428049 -0.00289779 0.00682579 0.00113415 +H 6.90949361 5.94867768 4.93534161 -0.03677812 -0.02231765 -0.01803095 -0.22441272 -0.08892274 0.00523793 -0.01331986 -0.00180359 0.01917498 +O 7.01504873 8.30180626 6.87399326 0.00227512 0.00077299 0.00297201 0.02762189 -0.00268563 0.01545415 0.00553075 -0.00082876 0.00174832 +C 8.84546821 7.23766178 5.81049796 -0.00049804 0.00373135 -0.00142161 0.03457227 0.03211868 0.00172218 0.00751891 0.00448410 0.00136313 +H 9.19047127 6.63659715 4.93247884 0.01096226 0.02494918 -0.01025920 -0.07526153 0.19322596 -0.07163537 -0.02569069 0.02137524 -0.02652351 +H 9.28517510 8.25002090 5.74941047 0.02228475 0.02309162 0.01300217 0.03830439 -0.03278378 0.06680579 0.00133713 -0.00832175 0.00990575 +H 9.34037105 6.82685877 6.71000658 0.01568340 -0.03151237 -0.00880757 0.01673511 -0.17714419 -0.17398756 -0.00225582 -0.02360244 -0.02467451 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99666048 5.64737333 5.90325290 0.00183237 0.00271779 0.00695854 0.01746943 0.01644613 0.04572276 0.00266620 0.00298142 0.00784929 +C 2.31208898 6.08323693 6.00473059 0.00134749 -0.00229351 0.00275039 -0.01483498 -0.03864025 0.01186522 -0.00335121 -0.00814017 -0.00065940 +H 0.78728596 5.05514011 5.16201057 0.00020462 -0.00086050 -0.00952120 0.05651634 0.09097955 0.03603380 0.00386607 -0.00029484 -0.01497714 +C 2.73726216 6.81480616 7.13526466 -0.00811334 -0.00619910 -0.01079994 -0.03948999 -0.00783912 -0.07358367 -0.00212318 0.00475600 -0.00864945 +H 3.01534870 4.89643743 4.23429644 -0.00481137 -0.01078565 -0.00204136 -0.10084938 0.09468120 0.12241472 -0.02515945 0.00989919 0.00113031 +C 4.05709113 7.34578597 7.07305912 -0.00502222 -0.00141248 -0.00049938 -0.02690103 -0.02824969 -0.02385434 -0.00161895 -0.00393173 -0.00207825 +H 2.05463135 7.09900726 7.92180863 -0.02192805 0.01195721 -0.00476320 -0.05825462 0.00332854 -0.12843906 -0.00071874 -0.00752879 -0.02212569 +C 5.00881015 6.99822694 6.02431626 -0.00024297 -0.00051771 0.00561738 -0.02186694 -0.03167074 0.04095661 -0.00374909 -0.00913102 0.00350192 +H 4.35264224 7.95959120 7.86582839 0.01011952 -0.02153550 -0.02136106 0.08412273 -0.00405852 0.02570262 -0.00723688 -0.00443922 -0.00361625 +C 4.62310636 6.03819350 5.05195574 -0.00237331 -0.00316872 -0.00384574 -0.03840679 -0.00032918 -0.00117476 -0.00496105 0.00516142 0.00417956 +N 6.31887365 7.36843692 6.22139044 0.00252568 -0.00252361 -0.00594740 0.03176439 -0.00334436 -0.03389888 0.00268898 0.00087699 -0.00358971 +C 3.23058598 5.63404181 5.04246334 -0.00099249 0.00917351 0.00515814 0.02187102 0.04010109 0.00416232 0.00357353 0.00277766 -0.00140830 +H 5.29522540 5.55580976 4.34534606 0.01471507 0.02181565 -0.00147358 0.03491334 0.17197740 -0.02018020 -0.01221185 0.01859003 -0.00621438 +C 7.49017309 6.98217304 5.62006418 0.00291517 0.00428271 0.00067430 -0.01569867 0.02247816 -0.01236236 -0.00322193 0.00108546 -0.00483565 +H 6.48601742 8.04067386 6.96111994 0.01282806 0.01261920 -0.00140128 0.02763501 -0.02958516 -0.05675892 0.00027324 -0.00575053 0.00128104 +O 7.57647503 6.37133854 4.55231946 0.00229180 -0.00167855 -0.00152022 0.01904375 -0.00785628 -0.00061772 0.00287359 -0.00030212 0.00158646 +C 8.65780795 7.36977704 6.41465923 0.00354197 0.00153832 0.00285113 0.04043264 -0.00366834 0.03460617 0.00950984 -0.00301433 0.00382709 +H 9.52341349 6.89679383 6.08163404 0.00464731 0.03452913 0.01802006 0.18030679 0.10584267 -0.04535090 0.00471534 0.00872879 -0.01116068 +H 8.87991438 8.45560586 6.40017117 -0.00343522 -0.02821776 -0.00748203 -0.05724872 0.01918326 0.03306560 -0.01324851 0.03070942 0.01957634 +H 8.59411907 6.92369218 7.41139651 -0.00637342 -0.01766702 0.00363586 -0.05734059 0.02757021 0.01963884 -0.00476987 0.01973415 0.00917713 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99316481 5.79235799 5.75114291 -0.00298580 -0.00084782 0.00098383 -0.01426330 -0.00694862 0.00198023 0.00009879 -0.00106792 0.00123690 +C 2.31301720 6.01101395 5.93891869 0.00039444 -0.00103373 -0.00339601 0.02155023 0.01100171 -0.00860732 0.00206478 0.00354368 -0.00019656 +H 0.82945905 5.85341765 4.78922468 0.00231186 -0.00840798 0.00331320 -0.07262454 -0.05559370 0.03214748 -0.02483165 -0.00592123 -0.01600202 +C 2.97733115 5.65120311 7.13005893 0.00123392 0.00384827 -0.00320537 -0.01775007 -0.00102038 -0.02148715 -0.00061912 -0.00377600 -0.00143298 +H 2.75016215 6.93057078 4.00710965 -0.01658080 0.00487343 -0.01613437 -0.10007058 0.00514324 0.03824636 -0.01877772 0.00213445 0.00092168 +C 4.31458663 5.83449315 7.28124689 0.00606377 -0.00168818 0.00013343 0.06609942 -0.00550156 0.02460225 0.00800273 0.00035142 0.00632759 +H 2.41951968 5.06974299 7.85103076 0.01556313 -0.01882910 0.00150515 0.08035651 -0.01336137 0.01477318 -0.00394717 0.01233645 0.00461330 +C 5.11976925 6.46609009 6.28602239 -0.00268452 0.00215995 0.00439748 0.01794491 -0.00068847 0.03425431 0.00710675 -0.00165190 0.00309559 +H 4.72555767 5.40314748 8.17530533 0.00201127 0.01025255 0.02604636 0.05970890 0.13370863 0.06975408 0.01695195 0.02048936 -0.00260204 +C 4.49626065 6.79642599 5.10857125 0.00562811 0.00096883 0.00082262 0.01073382 -0.00366511 0.01405744 -0.00298084 -0.00201549 0.00069428 +N 6.54109571 6.56816688 6.38919352 -0.00080812 0.00082465 -0.00246083 -0.01638293 0.01494485 -0.01835740 -0.00315408 0.00275170 0.00019324 +C 3.14042659 6.66236505 4.99202274 -0.00285868 0.00014175 -0.00049331 -0.04701996 -0.00275599 -0.04518754 -0.00628139 -0.00100937 -0.00901137 +H 5.03475873 7.03005757 4.22413129 0.01323582 -0.03170250 0.03726965 0.10118938 -0.05930214 -0.01590854 -0.00670384 0.00941891 -0.01766143 +C 7.38886791 7.23738885 5.55532798 -0.00186371 0.00009314 -0.00035600 -0.02407690 0.01407360 0.00887982 -0.00398486 0.00364014 0.00272155 +H 7.00780738 6.34393617 7.22349536 -0.00667074 0.02439617 0.00426629 -0.09315431 0.05082892 0.06919690 -0.02387920 -0.00428726 -0.01009096 +O 7.01453472 7.88983947 4.56455330 0.00372107 0.00317958 0.00126199 0.04284421 0.01690667 0.01057887 0.00801508 0.00197639 0.00131924 +C 8.77465960 7.46008128 6.15613597 -0.00243551 -0.00822272 -0.00300457 -0.03546113 -0.04057844 -0.01078408 -0.00523219 -0.00420477 -0.00088571 +H 9.32253550 6.56779537 6.34090614 -0.00824683 0.00334277 -0.00905133 -0.00704896 -0.10919388 -0.04012020 -0.00830479 -0.00742263 -0.00660091 +H 9.39162894 8.12940033 5.58702010 -0.01712740 0.00280500 0.00843695 -0.07714100 0.04615124 -0.02146155 -0.01111657 -0.00460555 -0.00558125 +H 8.53770430 7.94098391 7.10148996 -0.02637810 0.00927837 0.00368805 -0.02211792 -0.01694709 -0.03996917 0.01858112 -0.01376340 -0.00589071 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99074244 5.64242951 5.91541791 -0.00915148 0.00177803 -0.00419481 -0.05918750 0.01821805 -0.03644118 -0.00610399 0.00529764 -0.00512558 +C 2.24538932 6.14538384 5.83400547 0.00293051 -0.00349636 0.00043084 0.00487414 -0.02529438 0.02019602 -0.00363200 -0.00397503 0.00542796 +H 0.87383520 4.83320044 5.37710397 -0.00019761 0.00159544 -0.01197665 -0.02343908 0.04812274 -0.03029393 -0.01161604 -0.01579493 -0.01508524 +C 2.58906418 7.41941769 6.30548042 0.00139463 -0.00764941 0.00249527 0.01011605 -0.04827814 0.00725907 0.00319806 -0.00472033 -0.00010819 +H 2.95303803 4.26300445 5.24623848 -0.01205000 0.02049454 -0.00282612 0.03344453 0.03719900 -0.07255652 0.02051467 -0.00935489 -0.01454486 +C 3.93162657 7.78890696 6.34603676 0.00529827 -0.00419409 -0.00409487 0.05161914 -0.00861842 -0.01704781 0.00546546 0.00134561 0.00029846 +H 1.83549159 8.14551386 6.57213462 -0.00625237 -0.00940113 -0.00393616 -0.03453907 -0.10460779 0.01889767 -0.00138778 -0.01697186 0.01023482 +C 5.06882442 6.98001953 6.00415146 0.00379199 -0.00257743 -0.00058454 -0.00613673 -0.00826740 -0.01925345 -0.00372882 0.00058504 -0.00497522 +H 4.11300840 8.81915774 6.64472743 -0.00545190 -0.01842027 0.01697068 0.01774302 -0.05725957 0.11871986 0.01382594 0.00584525 0.01257562 +C 4.68643520 5.69951397 5.54678223 -0.00434557 0.00232779 0.00057293 -0.05416704 -0.01530519 0.00854848 -0.00791553 -0.00478978 0.00161830 +N 6.36934067 7.51014239 5.98360700 0.00495956 0.00624778 -0.00344836 0.00096165 0.05235142 -0.00887907 -0.00325099 0.00367106 0.00027470 +C 3.27235405 5.28001645 5.47726808 -0.00487068 0.00144270 0.00667382 0.01221208 0.01036329 0.04235467 0.00595059 -0.00037538 0.00442405 +H 5.43134486 4.92426363 5.37899403 -0.00714957 0.00027131 -0.00763278 -0.07123636 0.03631954 -0.13531394 -0.00720856 0.00341757 -0.02866999 +C 7.50097735 6.90007256 5.82680455 0.00398622 -0.00093866 0.00834019 0.03309255 -0.03275682 0.06280561 0.00197271 -0.00333955 0.00933022 +H 6.40867233 8.50986867 6.24642345 -0.00117802 0.01018435 0.01308676 0.04192505 -0.00653160 0.02477036 0.01179786 0.01870105 0.00132224 +O 7.58817139 5.67402707 5.67515985 0.00046679 0.00562238 0.00129519 0.00644509 0.03317591 0.00552536 0.00144605 0.00159593 0.00024445 +C 8.77724721 7.64791527 6.02090134 0.00007796 -0.00484376 0.00039467 -0.00518100 -0.00565853 -0.03205470 0.00101232 0.00434612 -0.00889803 +H 9.04708112 7.61544002 7.10889164 0.00506438 0.01878751 -0.05219919 0.19069511 0.07925654 -0.08560416 0.04026635 0.00090791 0.02331637 +H 9.49876623 7.21094777 5.33304782 -0.01245797 -0.00268802 -0.01483847 -0.00152432 -0.00639680 -0.02675683 0.00869011 -0.00088480 0.00473023 +H 8.56510079 8.64924489 5.73923465 0.01013587 0.01236876 -0.01224737 0.11745877 0.02520880 -0.06534030 0.01654559 -0.01613402 -0.00503372 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.05322917 5.59232193 5.69435924 -0.00153228 0.00256242 -0.00024231 0.00156872 0.02660937 0.01361296 0.00124289 0.00493227 0.00231569 +C 2.32491044 6.05614865 5.98510924 0.00476782 -0.00531997 -0.00426123 0.02567566 -0.06379553 -0.03565411 0.00199377 -0.01110879 -0.00699014 +H 0.78097867 5.78622599 4.80058837 0.00886393 -0.01341566 0.01700083 0.00796857 -0.06149947 -0.02880062 0.00093323 -0.00718535 -0.00024667 +C 2.99153969 5.56783427 7.14100888 -0.00235855 0.00064057 -0.00692426 -0.01536773 0.02438563 -0.03111711 -0.00043486 0.00605545 -0.00169727 +H 2.49227251 7.06594393 4.19445876 0.00796228 0.02456665 -0.01095718 0.14719368 0.09225741 -0.07378366 0.03530419 -0.00908181 0.00834026 +C 4.34261550 5.88425962 7.30716692 -0.00680653 0.00362433 0.00049281 -0.01151800 0.02817656 0.00580779 0.00194201 0.00395034 -0.00051954 +H 2.48677854 5.12248547 8.01927996 0.00421823 0.01715801 0.00113788 -0.05374600 0.03275358 -0.10243690 -0.02619484 -0.01622513 -0.01281771 +C 5.09881072 6.48939336 6.24344018 0.00013307 -0.00361722 0.01169471 -0.01595471 -0.00274557 0.03569024 -0.00144493 0.00331894 -0.00155121 +H 4.83040100 5.70123527 8.28287217 0.03295376 0.00333904 -0.00671058 0.08153584 -0.04559348 -0.13749235 -0.00261055 -0.02058610 -0.00198156 +C 4.43309228 6.94261739 5.05256101 0.00239477 0.00299738 0.00383548 0.01264477 0.00199340 0.04970333 0.00123208 -0.00186665 0.00868179 +N 6.43974244 6.66519079 6.36281756 0.00442319 -0.00286227 -0.00399515 0.04398113 -0.02841704 0.01241819 0.00537883 -0.00478256 0.00601774 +C 3.06328653 6.72443305 4.99057232 0.00924594 -0.00087639 0.00364832 0.02435613 0.00291454 0.00771647 -0.00258098 0.00228084 -0.00312545 +H 4.84095996 7.41036801 4.19379314 -0.01273066 -0.00348849 -0.01960849 0.02331477 -0.02640010 0.00944318 0.01387999 -0.00830993 0.03423855 +C 7.37453434 7.31149241 5.64015975 -0.00601364 -0.00292425 -0.00166834 -0.02622512 -0.01458204 -0.01627402 0.00026109 -0.00032604 -0.00412392 +H 6.76746025 6.29330618 7.25382566 0.01498340 0.02047702 0.01126012 0.13544559 0.11381111 -0.01526888 0.02621224 0.00109349 0.00537342 +O 7.08038027 7.95314014 4.64115724 -0.01007367 0.00194545 -0.00305665 -0.06031418 0.01270664 -0.01913324 -0.00683048 0.00117021 -0.00166126 +C 8.85504320 7.22624500 6.10115033 0.00444011 -0.00067426 0.00167013 0.00609604 -0.00074330 -0.00475244 -0.00536690 0.00308551 -0.00062622 +H 9.28085662 8.19334332 5.81409732 -0.00485635 -0.00152273 0.00187034 0.04307261 -0.02472947 -0.01339192 0.01702810 -0.00322563 -0.00321307 +H 9.09084324 7.14626180 7.15953418 0.00222150 -0.00596635 0.00130723 -0.08040404 -0.08217557 0.01110864 -0.02329247 -0.01164226 -0.00283838 +H 9.34984209 6.37839058 5.48067155 -0.00001699 0.00035615 0.01144097 0.02036183 0.06312888 0.13317390 0.02509628 -0.01945884 -0.00227933 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95381183 5.90673463 5.92194500 -0.00351071 0.00324066 -0.00558594 -0.02570724 0.01503676 -0.02354331 -0.00181201 0.00105928 -0.00114422 +C 2.28978671 5.98729351 6.00832353 0.00277880 -0.00416920 -0.00119333 0.04454691 -0.03299724 -0.04259385 0.00487963 -0.00521495 -0.00970604 +H 0.54803128 6.20311432 5.08908562 -0.00651396 -0.00909580 0.00774655 -0.03170472 -0.02577705 -0.03333168 -0.00279915 0.00248365 -0.01845386 +C 3.05456740 5.45561004 7.09136759 -0.00169688 -0.00560572 0.00192579 -0.02843680 -0.00131920 -0.00882614 -0.00348830 0.00354899 0.00040937 +H 2.40256849 6.94816454 4.07678324 -0.00858202 0.01678053 0.01394302 0.04205574 0.07255706 0.03731407 0.01722724 0.00429533 -0.00200373 +C 4.39305466 5.74967678 7.11002327 0.00079467 0.00518698 0.00171011 0.03338545 0.01968703 0.02045198 0.00737321 -0.00087442 0.00629767 +H 2.55880004 5.08500198 7.91502889 0.02135784 0.01800112 0.01149898 0.04969294 -0.03623849 0.13948184 0.00517270 -0.00859089 -0.01999596 +C 5.12593189 6.42762683 6.10828669 0.00519393 0.00027695 -0.00186725 0.01782906 -0.00268072 0.01390726 -0.00061884 -0.00025192 0.00377161 +H 4.90065832 5.39870237 7.94215468 0.01210564 0.00748976 -0.00319940 0.10183340 0.06547713 0.07763211 -0.00333933 0.01921991 -0.00073711 +C 4.44933776 6.86002910 5.00417236 0.00220503 -0.00284559 -0.00408448 -0.03992098 -0.02851435 -0.04720411 -0.00904965 -0.00514074 -0.00574778 +N 6.41699669 6.76839148 6.41679377 0.00436666 -0.00061463 0.00808359 0.03499873 -0.00952462 0.05643281 0.00534090 -0.00248248 0.00848058 +C 3.01181788 6.53952740 4.87439532 -0.00023232 0.00354095 0.00059798 0.01509383 0.04285435 0.03595212 0.00300415 0.00811410 0.00729424 +H 4.94158217 7.46935126 4.23823853 -0.00274384 0.00142566 0.01176708 -0.04551568 0.00584322 -0.00707934 -0.00946065 0.00151538 -0.01983788 +C 7.36616809 7.31843734 5.67268555 -0.00157649 -0.00719998 -0.00169382 0.02463848 -0.03959855 0.01483673 0.00620474 -0.00294278 0.00328518 +H 6.69706958 6.59061803 7.34766341 -0.00140838 0.00306051 0.00903131 0.01703372 -0.01732234 0.08927034 0.00306845 -0.00389542 -0.00095703 +O 7.24319283 7.72618776 4.56744501 -0.00502748 0.00082006 0.00360317 -0.04635418 0.00923652 -0.00193015 -0.00776404 0.00112415 -0.00268582 +C 8.78138706 7.51203458 6.28033352 -0.00068996 0.00219220 -0.00627547 -0.03351963 0.01321718 -0.04457094 -0.00378750 0.00432892 -0.00399381 +H 9.10837894 6.74909554 6.97017426 -0.00468151 0.01733880 -0.01367712 0.00471403 -0.02985490 -0.05166198 -0.00224408 -0.01308247 -0.01013179 +H 9.38571103 7.60232163 5.40003720 -0.01810476 0.00190677 0.01166109 0.11597627 -0.02191759 -0.02013899 0.02390052 -0.00657893 0.00258218 +H 8.82468415 8.42590319 6.73894915 0.00266064 -0.01006474 0.00001893 0.00277422 0.08406275 0.08031530 -0.00757956 -0.01420014 -0.00670869 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01138166 5.87287609 5.83250419 -0.00820302 -0.00415116 0.00012651 -0.06219886 -0.01378159 -0.00423543 -0.00772888 -0.00126799 -0.00026828 +C 2.35463872 6.02661125 5.92682747 -0.00764294 0.00405258 0.00401016 -0.05250233 0.02388860 0.00811742 -0.00627886 0.00125921 0.00112045 +H 0.57093397 6.57231888 5.36019450 0.01237556 0.03268284 -0.01284566 0.12937148 0.02750506 -0.00008191 0.00157407 0.00545996 -0.00786535 +C 3.00890042 5.62200926 7.06950365 0.00225498 0.00537179 -0.00579550 0.00530323 0.01917270 -0.01177022 0.00062943 0.00117811 0.00189681 +H 2.54259890 6.87879193 3.94738919 -0.01691362 -0.02906480 0.04022110 -0.09794202 -0.19116658 0.04858807 0.00481388 -0.02575252 -0.01067106 +C 4.37041471 5.79618097 7.24964379 0.00477905 0.00070568 0.00047394 0.05410201 0.00155607 -0.00498853 0.00898366 0.00054422 -0.00316562 +H 2.42704076 5.07626148 7.82327851 -0.00470279 0.00760458 -0.01196092 -0.01393558 0.10903366 -0.01221989 -0.00558138 0.01411300 0.02071638 +C 5.14041904 6.33165527 6.19753281 0.00822092 -0.00372778 -0.00000757 0.04963561 -0.01393725 -0.02221874 0.00256400 0.00027256 -0.00887072 +H 4.85165258 5.40477927 8.14512805 0.02876389 0.01567861 0.00096827 0.09977884 0.14889468 -0.00128530 0.00026366 0.01809832 0.00764535 +C 4.48649380 6.61932229 4.96907119 -0.00023974 0.00435378 -0.00953937 0.00399442 0.02883625 -0.05793876 0.00178524 0.00185824 -0.00237581 +N 6.54256774 6.53879215 6.40406502 -0.00044935 -0.00398718 -0.00300405 -0.00817540 -0.01934598 -0.03642287 0.00080097 -0.00233023 -0.00546704 +C 3.07144896 6.50381507 4.80699753 -0.00109141 -0.00608159 0.00864145 0.00547641 -0.03341646 0.08158525 0.00067997 -0.00222722 0.00956305 +H 5.05223998 6.99966714 4.11670022 0.00492632 -0.00074844 -0.02558816 -0.04392302 -0.02536045 -0.07541033 -0.00971762 0.00000034 -0.00852197 +C 7.35685437 7.38270139 5.71726010 0.00122788 -0.00345045 -0.00504731 -0.02048065 -0.01181690 -0.04050773 -0.00473469 -0.00079882 -0.00466862 +H 6.93991547 6.09725508 7.18186246 -0.00473363 0.00541822 -0.00544561 0.02180649 -0.03772070 0.00114349 -0.00307034 -0.00100384 -0.02116044 +O 6.94301248 8.25373054 4.91331148 0.00028482 0.00350144 -0.00078328 0.00865981 0.00922620 0.00310982 0.00178190 -0.00042987 0.00098730 +C 8.81478989 7.29592860 5.97553681 0.00150167 -0.00073203 0.00718467 0.01883785 0.01165760 0.07070332 0.00296051 0.00313982 0.01024458 +H 8.98429772 6.91255047 6.98562754 0.00143846 -0.01050072 0.03454480 0.04875309 -0.07510629 -0.01347504 0.01001615 -0.01616012 -0.02153631 +H 9.30025983 6.81294221 5.14896443 0.01276009 0.02651873 0.00361916 0.13214353 0.05543800 0.06893701 0.01476544 0.00179888 0.02675005 +H 9.21607167 8.31562459 5.93523499 -0.00935796 0.01226637 0.02960271 -0.07964951 0.02051482 0.23394802 -0.00831934 0.00050238 0.03458619 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96077031 5.75362877 5.64946781 -0.00040761 0.00122429 0.00026154 -0.01581305 0.01070292 0.00144000 -0.00385664 0.00042524 -0.00077264 +C 2.24161259 6.11926461 5.83768784 -0.00611191 -0.00169367 0.00032664 0.01090917 -0.01557912 0.01558806 0.00731847 -0.00195757 0.00365424 +H 0.88413879 4.98919440 5.16241850 -0.01083423 0.00802411 -0.00713375 -0.07352764 0.01698409 -0.04897565 -0.00527342 0.02228517 0.01020077 +C 2.60307936 7.42241441 6.28782931 0.00050543 -0.00018977 -0.00454789 0.04379894 -0.00821951 -0.02761480 0.00962984 -0.00115536 -0.00298761 +H 3.06445016 4.16956474 5.38532041 -0.00600233 -0.01071441 0.01115651 0.00834171 -0.07805178 0.10456676 0.00708336 0.00623351 0.01813445 +C 3.99080425 7.85684809 6.43027294 0.00790621 0.00168863 0.00279503 0.00533146 -0.01728052 0.00907606 -0.00469645 -0.00146876 0.00151566 +H 1.78705861 8.08842560 6.61803348 0.04525581 -0.01932877 -0.01219748 0.07440380 0.09474018 -0.09030281 -0.01619061 0.03289792 -0.01573619 +C 5.02262086 6.92890062 6.15166199 -0.00444666 0.00583852 -0.00218253 -0.01998574 0.01723069 -0.01169294 0.00036101 -0.00355537 -0.00144883 +H 4.21393070 8.82486845 6.72850662 0.00665413 -0.02009289 0.00738154 0.05850630 0.04914421 0.09148277 -0.00395534 -0.01195797 0.00032787 +C 4.61952831 5.60115093 5.89358295 -0.00727879 -0.00233274 0.00601524 -0.02318307 -0.02034590 0.01928516 -0.00055436 -0.00323377 -0.00146262 +N 6.36936818 7.34681345 6.21921152 0.00192393 -0.00405248 -0.00220929 -0.01057701 0.00371786 -0.00855885 -0.00529543 0.00130265 -0.00169958 +C 3.29629133 5.15058813 5.72147909 -0.00042708 -0.00548425 -0.00004284 -0.03273324 -0.00568754 -0.00258768 -0.00743186 0.00168807 -0.00008656 +H 5.45798666 4.93999490 5.69748479 -0.03249801 -0.01409895 -0.02647406 -0.19995787 -0.15863555 -0.11180545 -0.01228816 -0.02113122 0.00125817 +C 7.50709389 6.89568816 5.70755103 -0.00041868 -0.00569499 0.00105268 0.01070437 -0.02983593 0.02717656 0.00373881 -0.00038761 0.00765464 +H 6.50758902 8.28884745 6.61746164 -0.00320111 0.02168812 0.00606336 -0.04839481 -0.07281902 -0.01125509 -0.00203223 0.00328146 0.00973074 +O 7.63358256 5.84630732 5.10483533 0.00234617 0.00395319 -0.00228897 0.01416066 0.01499893 -0.02637915 0.00168359 -0.00015128 -0.00528796 +C 8.74167786 7.69333933 6.07145517 0.00405238 0.00643498 0.00447969 0.02858280 0.05433040 0.02688582 0.00339038 0.00774315 0.00495522 +H 8.66277131 8.03804154 7.04661100 0.03374859 0.01697514 0.01288435 0.17799913 0.06673154 0.11469915 0.01344681 -0.00687528 -0.01840621 +H 9.63005328 7.08547819 6.04105106 -0.00296433 -0.01676388 -0.00065047 -0.02096551 -0.03712384 -0.06408963 -0.00756403 0.01615463 -0.01739821 +H 8.88203590 8.61399691 5.54059209 -0.01355778 0.02552575 -0.02223717 -0.08232617 -0.03806432 -0.13821700 -0.00523031 -0.03560762 -0.00883548 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98875629 5.91301065 5.80689069 -0.00254778 0.00627498 -0.00127076 -0.01059981 0.04255655 -0.01223163 -0.00057830 0.00517739 -0.00120746 +C 2.35597661 6.02190564 5.97063031 -0.00120932 -0.00699362 -0.00385701 -0.02698242 -0.04452618 -0.02739777 -0.00448813 -0.00588598 -0.00165926 +H 0.69494194 6.28109841 4.99933497 0.01451064 0.01895998 -0.02599329 0.09560108 0.05294728 -0.01192257 0.00331890 0.00524140 0.00247360 +C 3.03540695 5.53673831 7.09975636 0.00117139 0.00516671 -0.00137659 -0.01244961 0.01636457 -0.00286186 -0.00246407 -0.00041509 -0.00084976 +H 2.55625309 6.88294170 3.99672087 -0.02969379 -0.02526756 0.02857935 -0.15555393 -0.02955937 0.12994090 0.00792481 0.01445775 0.01772451 +C 4.42270765 5.68918080 7.21136276 0.00018356 0.00092744 -0.00597649 0.01870143 0.00768794 -0.04726932 0.00491909 0.00000811 -0.00476613 +H 2.41123002 5.01893261 7.82625967 0.00651674 -0.02758810 0.00089386 0.14958802 -0.06857542 0.00483445 0.01987381 0.00359923 0.00994391 +C 5.13209791 6.30624988 6.14826790 0.00459959 0.00076160 0.00080813 0.04843063 0.02203434 0.02356465 0.00764863 0.00585907 0.00376833 +H 4.98375144 5.37409527 8.04320873 0.02424095 0.00021143 -0.01517310 0.04288659 -0.05478550 -0.04424670 -0.02248823 -0.00903266 -0.01116178 +C 4.37661127 6.80537010 5.05222683 -0.00391643 0.00004393 0.00127123 0.03065599 0.00833967 -0.00127240 0.01315402 0.00227611 -0.00061140 +N 6.54327499 6.53429327 6.38379661 0.00781668 0.00127473 0.00918344 0.01784402 0.00543120 0.03924251 -0.00416754 0.00137926 0.00037307 +C 3.01867888 6.64283324 4.91873677 0.01003282 -0.00546533 0.00616895 0.03877792 -0.05376148 0.04387625 -0.00184032 -0.00885851 0.00363948 +H 4.85436627 7.28439068 4.23105602 -0.00833658 0.01576242 -0.00436873 -0.03711184 0.08342767 0.00093397 -0.00173061 0.00542025 0.00666055 +C 7.37880139 7.34087868 5.67868716 -0.01180168 0.00562454 0.00209147 -0.07657564 0.03635187 0.01042396 -0.00609118 0.00404968 0.00217055 +H 6.98834014 6.01423618 7.16777946 0.00715468 -0.02081172 -0.00460071 0.02121212 -0.05776700 -0.06495516 0.01186234 -0.00712655 0.00600451 +O 7.06007387 8.00819774 4.67361073 -0.00112848 -0.00179833 -0.00142676 -0.01416242 -0.01719243 -0.00376582 -0.00376014 -0.00246674 -0.00042959 +C 8.76827171 7.47998265 6.18202539 -0.00333188 -0.00699968 -0.00442186 -0.01925630 -0.01984848 -0.03412134 -0.00205781 -0.00017022 -0.00490421 +H 9.30472600 7.90150531 5.35018439 0.01458631 0.01019649 -0.00645449 0.08487754 0.02933359 0.06105754 0.00495297 -0.00966074 0.02082594 +H 8.72261557 8.17926884 7.00881502 -0.00840113 0.02412426 0.00462800 0.04012937 -0.02770303 -0.05523563 0.01546813 -0.02609719 -0.01233578 +H 9.25479186 6.53560807 6.35987937 -0.01994479 -0.00172597 0.00075203 -0.11207720 -0.07938295 0.10593397 -0.01703368 -0.00161346 0.01894151 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.05334480 5.65111264 5.79334107 -0.00989873 -0.00071549 -0.00626498 -0.05907870 0.00064288 -0.04686586 -0.00589049 0.00150809 -0.00729438 +C 2.34762461 6.07547867 5.77130403 0.00407675 -0.00648327 0.00071016 -0.00328528 -0.05097371 -0.00701795 -0.00639289 -0.00739632 -0.00248704 +H 0.89200106 4.82125934 6.28565347 -0.02714668 0.00672374 -0.02249788 -0.16343669 0.01223769 -0.09258002 -0.01890230 -0.01170202 0.00174785 +C 2.85108881 6.61335721 4.56358784 0.00141710 0.00271470 0.00466026 -0.01606048 0.01368561 0.03018241 -0.00271039 0.00053147 0.00509255 +H 2.67636579 5.64173211 7.86209017 -0.00269506 -0.01407853 0.01051278 0.07612036 -0.04880686 -0.02947455 0.01486680 -0.00238679 -0.00646695 +C 4.15156629 7.09255073 4.49604695 -0.00027981 -0.00065880 -0.00441168 0.02007616 -0.00557642 -0.01038208 0.00557563 -0.00048581 0.00019045 +H 2.12437530 6.73083706 3.72939506 -0.00907726 -0.02383108 0.00029345 0.07115316 -0.13951971 0.03060063 0.00762786 -0.00954368 -0.01449447 +C 5.00694435 6.94755135 5.60870707 0.00108657 0.00227400 0.00303294 0.00784343 0.01976325 0.02069071 -0.00023641 0.00257221 0.00383016 +H 4.53359920 7.59798617 3.64522382 0.00412089 -0.01505041 0.00475210 0.01608138 -0.09593644 -0.12070698 -0.00600941 -0.02094395 -0.01469554 +C 4.44795184 6.43930751 6.80390759 -0.00200142 0.00259449 0.00268057 -0.01498177 0.01959731 0.03631334 -0.00033203 0.00351840 0.00817722 +N 6.35768988 7.39551427 5.50987677 -0.00661294 0.00058995 0.00483240 -0.00614499 -0.01797738 0.06452429 0.00516168 -0.00571284 0.01390168 +C 3.12192241 5.97719319 6.92755859 -0.00065317 0.00310283 0.00072044 -0.00300006 0.02203670 -0.00033670 -0.00021415 0.00263462 -0.00143029 +H 4.95306978 6.47532732 7.72951676 -0.02366893 -0.00119367 0.00734744 0.02629357 -0.04169877 0.06818450 0.01787212 -0.00923102 -0.00827637 +C 7.45499970 6.92699547 6.28363232 0.01481473 0.00117784 0.00957636 0.02840465 0.02815087 0.00387789 -0.00702959 0.00550409 -0.00780497 +H 6.55713083 8.00307666 4.70503200 -0.00619624 0.00597495 -0.00790818 -0.03015649 -0.03830580 0.10087817 0.00336647 0.00014186 0.01407709 +O 7.43926859 6.04978464 7.14066815 0.00464801 0.00176389 -0.00216712 0.02896479 0.01031861 -0.00638881 0.00386177 0.00142458 0.00026466 +C 8.78185901 7.47815749 5.85983944 -0.00037624 -0.00316251 -0.01113412 0.02719871 -0.00831687 -0.06047777 0.00699466 0.00112038 -0.00634219 +H 9.23712313 6.87122722 5.08297688 0.01207023 -0.00889472 -0.02312538 -0.01315429 0.08033547 -0.13582890 -0.01426116 0.02702063 -0.01488718 +H 8.65779674 8.53949216 5.66777801 0.00622092 0.01314026 0.02385903 0.07568608 0.00185245 0.00968364 0.01452144 -0.01070886 -0.01955123 +H 9.51640342 7.48400233 6.66706131 0.00611453 -0.00620841 0.00392376 -0.04568054 -0.11149382 -0.03523179 -0.00683235 -0.02512264 -0.00982872 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02814100 5.60713154 5.69863902 0.00017029 0.00203803 -0.00405781 -0.00890241 0.01181519 -0.02017319 -0.00281702 0.00159452 -0.00206236 +C 2.28463154 6.04834227 5.98990764 -0.00167550 0.00212187 0.00362752 -0.01525182 -0.00675414 0.01042121 -0.00095647 -0.00370452 -0.00075701 +H 0.54493566 5.94934944 4.99693545 -0.00364180 0.01833771 -0.01099247 0.08930970 0.12894269 -0.02003305 0.02786049 0.01376043 0.00987377 +C 3.04618922 5.47060815 7.01799431 -0.00125084 -0.00235405 0.00099671 0.00837195 -0.00813477 0.02349615 0.00201922 -0.00156453 0.00571751 +H 2.48510234 7.15250275 4.13715914 -0.02146255 0.00620570 -0.00159744 -0.14260814 -0.00736845 0.04351688 -0.00167568 -0.00916246 0.02145967 +C 4.40721630 5.83199637 7.27664396 -0.00303065 0.00477197 0.00094380 -0.02681449 0.01220121 -0.02851237 -0.00356559 0.00072790 -0.01082986 +H 2.62216135 4.70475552 7.62447351 0.04988548 -0.01680397 -0.00218888 0.16012272 -0.10253114 0.05475500 -0.00563563 0.00518455 0.00461742 +C 5.11338170 6.50190677 6.24518202 0.00147795 -0.00025841 -0.00969436 0.00197796 0.00343761 -0.02605599 0.00031967 0.00013398 0.00471817 +H 4.90471836 5.27609880 8.11700077 -0.00209218 -0.00110655 -0.00846917 0.01154363 0.11189657 -0.07066869 0.01598959 0.01552571 0.01127187 +C 4.31969393 7.01266291 5.15698002 0.00491032 -0.00040221 0.00051012 0.02281317 -0.01855869 -0.00321890 0.00281824 -0.00222185 -0.00456172 +N 6.48801116 6.68359407 6.43525937 0.00630424 -0.00155325 0.00969003 0.03271801 0.00405795 0.04590202 0.00120030 0.00305225 0.00122200 +C 2.92430233 6.78091062 5.02394866 -0.00162302 -0.00259871 -0.00193290 0.01932666 0.00501628 -0.01287320 0.00451780 0.00317862 -0.00131627 +H 4.74645107 7.42267830 4.26420647 -0.00705931 -0.00983096 0.03132865 0.12999305 0.13544041 0.06757547 0.02203506 0.03001928 0.00742891 +C 7.39404806 7.35498534 5.65259798 0.00157535 -0.00099995 0.00462863 0.00515641 -0.02322513 0.01782887 -0.00039048 -0.00481996 -0.00031686 +H 6.81732307 6.31476341 7.34684402 0.00677110 -0.00807494 0.00868578 0.07791037 -0.02846472 -0.02732435 0.01972290 -0.00863496 0.00594705 +O 7.21275982 7.88084054 4.54445747 -0.00655475 -0.00288416 0.00089924 -0.05476196 -0.02500383 0.02072081 -0.00869082 -0.00438405 0.00524803 +C 8.81982117 7.29521142 6.13154766 0.00043565 0.00285351 -0.00587122 0.00243307 0.02634135 -0.02766419 0.00084567 -0.00001176 -0.00240074 +H 9.51237598 7.11670902 5.30308109 -0.00235638 -0.00441425 0.01104271 0.03068675 0.08533524 -0.02690181 0.00600322 0.02739657 -0.01639180 +H 9.01877312 8.24358448 6.72090209 -0.01816171 0.00999241 -0.00713216 -0.03326015 -0.01524822 -0.10228213 0.01413432 0.01532709 -0.00069068 +H 8.97544259 6.45133044 6.74830630 0.00208644 0.00336449 -0.02426764 0.01750110 -0.03976064 -0.01016418 0.00071506 0.01113271 0.00507948 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03000248 5.71646693 5.89936930 -0.00135296 -0.00095975 0.00695290 -0.01862240 0.00493892 0.03345947 -0.00342039 0.00068643 0.00467717 +C 2.32250035 6.07344203 5.77337397 0.00034282 0.00162106 -0.00099391 -0.00482454 0.01866772 -0.01316067 -0.00279175 0.00107188 -0.00169566 +H 0.71089013 5.15135514 6.58214951 0.02110432 0.00025608 -0.01280335 0.19162368 -0.12333473 0.03695816 0.03502533 -0.00694801 -0.00821698 +C 2.68366423 7.32846519 5.21346558 0.00429568 -0.00744121 -0.00108485 -0.00625339 -0.03166483 0.00175430 -0.00446216 0.00293438 -0.00009039 +H 3.02040213 4.34510559 6.73059438 -0.00232493 0.00648271 -0.00155650 0.01735890 -0.00050400 0.04156247 0.01052237 0.00217108 0.00495251 +C 3.97862821 7.76893526 5.28397628 -0.00678574 0.00358698 -0.00154382 0.01362014 0.02590729 -0.01251188 0.00943191 0.00243091 -0.00172701 +H 1.92061418 8.00640291 4.95607680 0.02147014 0.02748386 0.00181944 0.09509616 0.07520693 -0.06172336 0.00589289 -0.02111405 -0.01330344 +C 5.04211092 6.98120024 5.75510628 0.00180459 0.00172005 -0.00148515 -0.01285279 -0.00547762 0.00118519 -0.00454927 -0.00104084 0.00095833 +H 4.26602580 8.76859633 4.99967993 0.02577671 -0.01126813 0.00974285 0.02535213 0.02590635 -0.04340933 -0.02006265 0.01405755 -0.02053694 +C 4.63896573 5.72814279 6.35606288 -0.00164568 0.00700456 -0.00282541 -0.00187539 0.04349641 -0.01581930 0.00023236 0.00251400 -0.00153689 +N 6.34106640 7.50393267 5.76861459 0.00302831 -0.00652565 -0.00241020 0.00050455 -0.04639162 -0.00506926 -0.00324114 -0.00439498 0.00063314 +C 3.30135607 5.28714675 6.31386029 -0.00147262 0.00082710 -0.00545132 0.00925347 -0.00367346 -0.02736923 0.00355874 -0.00143478 -0.00186544 +H 5.31367903 5.16186309 6.97127300 -0.00112130 -0.01281757 -0.00400832 -0.00037214 -0.06549776 -0.15167457 0.00296631 -0.00162452 -0.03347017 +C 7.47436793 6.83524700 6.07797869 0.00151751 -0.00062114 0.00008506 -0.01237703 0.01840928 -0.01904452 -0.00305566 0.00003813 -0.00382881 +H 6.33777422 8.47805704 5.61517786 0.00000772 0.00598284 0.02449975 0.11201494 -0.02540627 0.11517524 0.02272098 -0.02411714 0.00597973 +O 7.55199195 5.67045528 6.29985731 -0.00037429 -0.00672949 0.00448687 0.00552542 -0.05596338 0.03474074 0.00180671 -0.00612111 0.00469949 +C 8.66695694 7.71889373 6.01027424 -0.00845389 0.01075414 -0.00257226 -0.00386628 0.04074572 -0.00132056 0.00668198 0.00561254 0.00005493 +H 9.33395004 7.38386004 5.26857160 0.01645482 0.01877931 -0.01030883 0.02466354 0.09103037 -0.04934157 -0.02107965 0.01421736 0.00649067 +H 8.54370970 8.73626043 5.77462398 0.01606498 -0.02062083 0.02663471 -0.05605126 0.18559864 0.17557679 -0.02390876 0.01607475 0.02638135 +H 9.18473623 7.57274243 6.95406231 0.01179247 -0.00950190 0.00702096 0.01966799 0.02355951 -0.04699509 -0.00155469 0.01012238 -0.00995077 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04728253 5.71757128 5.62191931 0.00089330 -0.00972070 0.00185629 0.00449403 -0.05118111 0.02255295 0.00200670 -0.00655216 0.00317885 +C 2.37413169 5.95706920 5.85066179 0.00143162 0.00678883 -0.00180956 -0.00381684 0.01470040 -0.01311775 -0.00347439 -0.00318598 -0.00170620 +H 0.48332981 6.37294703 6.05288497 -0.01335051 -0.00186839 0.01095922 -0.01726664 -0.10350655 -0.02487883 -0.01790325 0.00292264 0.00185294 +C 3.19103044 4.81124339 6.04091457 -0.00415063 0.00611125 0.00035200 -0.02794515 0.05536517 -0.00728192 -0.00261390 0.00650553 -0.00165330 +H 2.30296064 8.18403487 5.61596583 -0.01897126 -0.00865981 -0.01704913 -0.04817319 -0.20025798 -0.07708376 -0.01997327 -0.00530660 -0.00952093 +C 4.56006270 4.99827197 6.09358695 -0.00373482 0.00444463 0.00002425 0.00730442 0.04532137 0.02689307 0.00319022 0.00883436 0.00578809 +H 2.83079865 3.82320547 6.05216155 -0.01315742 0.00724791 0.00175349 -0.13776590 0.05089096 0.00459712 -0.01105299 0.02701233 -0.00255391 +C 5.13773756 6.32737348 6.17554129 0.00112293 0.00481670 0.00098116 -0.01860640 0.03357746 -0.02400760 -0.00415884 0.00520407 -0.00711650 +H 5.15770773 4.10549690 6.27301763 0.01478484 -0.00408655 -0.02250250 0.04785069 0.08924595 -0.19953012 0.00371217 0.01657716 -0.02412191 +C 4.28452839 7.44583559 5.94451889 -0.00427381 0.00895246 -0.00301778 -0.01604894 0.05297407 -0.01342663 -0.00155874 0.00567900 0.00027311 +N 6.50281101 6.48329903 6.18721338 -0.00027838 -0.00483532 -0.00040411 0.02007320 -0.04596573 0.00277226 0.00431172 -0.00622036 -0.00001468 +C 2.92534677 7.26459363 5.79804889 0.00342443 -0.00633163 0.00151571 -0.01290466 -0.02688476 0.00123624 -0.00468427 -0.00296503 -0.00124355 +H 4.63776831 8.45267456 5.75545658 -0.04323949 0.02928990 0.01785252 -0.17927022 0.11524190 0.18611022 0.00349483 0.00065931 0.02695104 +C 7.32428690 7.48225684 5.80531298 0.00236660 -0.00551919 -0.00323346 0.01020712 -0.03584872 -0.00813718 0.00093936 -0.00441160 0.00128312 +H 6.98553233 5.69566731 6.60264581 0.01122369 -0.01962204 -0.00611431 0.02230969 -0.06796896 -0.13324813 0.00252934 -0.01584047 -0.02202410 +O 6.92448168 8.60829582 5.49519588 0.00180250 -0.00237547 0.00116730 0.01974714 -0.02363249 0.00315074 0.00344831 -0.00465829 -0.00023909 +C 8.82434652 7.17723804 5.96672928 0.00512663 0.00215877 0.00014674 0.02232800 0.03129912 0.02052430 0.00167756 0.00173327 0.00326967 +H 9.23796687 6.52201867 5.25510918 0.01811241 0.00218602 0.02567953 0.14341402 0.01055086 -0.00615716 0.00475298 0.02927814 -0.00722875 +H 9.38281469 8.14855856 6.02437421 -0.02051927 0.02219327 0.02129701 -0.11058678 0.02893747 0.08360018 0.00537440 0.00805405 0.00698072 +H 8.93549222 6.73635162 6.95808744 0.01055241 -0.02275410 -0.01418486 0.08625496 -0.12862946 -0.07355384 0.00986359 -0.00624346 -0.00361793 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.89211507 5.68280257 6.00377641 -0.00232520 0.00096628 -0.00062650 0.00414264 0.01393020 -0.01870168 0.00300314 0.00322115 -0.00512240 +C 2.26532247 5.94387153 5.96388906 0.00157033 0.00228824 0.00306928 -0.00319347 0.02916902 0.00066423 -0.00074652 0.00582758 -0.00220722 +H 0.47419385 5.90641182 5.22148911 -0.00429722 0.00778528 -0.00996510 -0.01582542 0.03598890 -0.01221094 0.00485107 0.00019877 0.01451114 +C 2.97645393 5.65916721 7.09628915 0.00433174 -0.00104265 -0.00268163 0.03297327 -0.00879546 0.00774902 0.00495333 -0.00085776 0.00368341 +H 2.51417663 6.64963587 3.86331902 0.01712942 -0.01006687 -0.00372369 0.04243893 0.01980955 0.06412685 -0.01741788 0.01781083 -0.00611575 +C 4.33581492 5.95498359 7.17731870 0.00193655 -0.00539779 0.00339484 0.06431719 -0.03297564 0.02732258 0.01057471 -0.00267598 0.00050678 +H 2.48162704 5.23779060 7.96693803 -0.00663422 0.01425691 -0.00668224 -0.04521359 0.04859810 -0.02387581 -0.00399030 -0.00337489 0.00530080 +C 5.10414675 6.51344738 6.11051707 0.00161370 0.00205952 0.00125505 -0.00624523 0.01350165 0.02031203 -0.00384381 0.00140371 0.00268460 +H 4.99592648 5.69617718 8.07078243 0.01859704 0.00533013 0.01977805 -0.15027807 0.06218842 0.03919091 -0.01944970 -0.00055392 0.03669501 +C 4.43155717 6.78658336 4.92375697 -0.00598025 -0.00853055 -0.00259252 -0.04825473 -0.05393430 -0.02020235 -0.00630986 -0.00739009 -0.00093415 +N 6.46519993 6.79732476 6.35708535 -0.00182731 0.00165328 -0.00262991 -0.02859407 -0.00670175 -0.01053065 -0.00567203 -0.00289828 -0.00131167 +C 2.98269118 6.53374007 4.87115247 0.00179385 0.00486297 0.00291284 0.02326663 0.01433671 0.00541969 0.00239253 -0.00190863 0.00145748 +H 5.09508628 7.19686587 4.13825165 -0.01085069 -0.02202296 -0.03591580 -0.29153740 -0.19764506 -0.16793848 -0.04303561 -0.02161539 -0.02139120 +C 7.45117984 7.35004937 5.63159414 -0.00372096 -0.00981032 0.00096849 -0.01375139 -0.04284690 -0.00676779 0.00051237 -0.00057151 -0.00521367 +H 6.73800326 6.44018889 7.26992801 -0.00926148 0.00997980 0.01172014 -0.01103923 0.10605024 -0.00860648 0.00802920 0.01169174 0.00224307 +O 7.33374718 7.95057004 4.56807365 0.00243050 0.00865978 -0.00242966 0.01328822 0.04650741 -0.00525612 0.00113153 0.00349920 0.00213095 +C 8.80580474 7.22511084 6.30976908 0.00165493 -0.00040515 0.00130663 0.00470455 -0.00669709 -0.00102257 -0.00055823 -0.00138365 -0.00060644 +H 9.26491198 6.32398269 5.94542072 0.01469314 -0.01526353 0.01879015 0.12919604 0.00260624 0.12543124 0.01586658 0.02125648 0.01706625 +H 9.41591746 8.10647714 6.14096747 -0.01024448 0.01296892 0.02843937 -0.03852201 0.05160422 0.12379174 -0.00331502 -0.00364329 0.00419973 +H 8.68110716 7.11448212 7.40105983 -0.02354023 0.01163513 -0.02834081 -0.13981101 0.05612175 -0.01219487 -0.01145310 0.00187693 0.02069523 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97429780 5.78528883 5.76363206 0.00165059 0.00287914 0.00212716 0.02030808 0.02784912 0.01503764 0.00435638 0.00446778 0.00193449 +C 2.29271609 6.13327227 5.81524400 0.00720724 0.00135035 -0.00050907 0.03366130 -0.00807204 -0.00667177 0.00022676 -0.00268015 -0.00037129 +H 0.85746426 4.82304710 5.77986200 0.00893467 0.01958191 -0.00052129 0.01658735 0.02320213 -0.02523848 -0.00454567 -0.00722571 -0.00611917 +C 2.66999242 7.42702796 6.21950079 -0.00008730 -0.00696603 0.00234165 -0.00379090 -0.03611652 0.03263360 0.00210471 -0.00299946 0.00592328 +H 3.11495725 4.07611631 5.32002952 -0.01225674 0.00935845 -0.02557972 -0.10776258 0.16551112 -0.17002983 -0.01713238 0.00711759 -0.02281792 +C 3.99543153 7.81381460 6.48363529 0.00771686 -0.00008693 -0.01076704 0.01035630 0.01732535 -0.06902571 -0.00356435 0.00246452 -0.00845592 +H 1.80841200 8.07870505 6.52524960 0.00615925 -0.01810843 0.00172382 0.05866747 -0.03224318 -0.00640787 -0.01277623 0.02272436 0.00602731 +C 4.99995469 6.95841954 6.14036304 0.00274255 0.00578193 0.00104865 0.02590715 -0.03313803 -0.01566299 -0.00009458 -0.01463110 -0.00576572 +H 4.11969066 8.81304228 6.91632887 0.00729987 -0.01201600 0.01083828 0.12340727 -0.06892247 0.01437791 0.02211708 0.00612403 -0.00632630 +C 4.64588093 5.63111391 5.68236954 -0.00953257 -0.00230706 -0.00273737 -0.05272507 -0.00552149 -0.00864189 -0.00192284 0.00149986 0.00080417 +N 6.34462627 7.35934063 6.30073629 -0.00754898 -0.00719554 -0.00101303 -0.04430263 -0.04017404 -0.00667071 -0.00045397 -0.00153588 -0.00002737 +C 3.28859347 5.16381775 5.53880550 -0.00343024 -0.00063585 0.00529614 -0.00287074 0.01388612 0.03865644 0.00140739 0.00527539 0.00440847 +H 5.39234248 4.85749560 5.48613477 -0.00444701 0.01191176 0.00305301 0.00652916 0.07992776 -0.01288963 0.00408044 0.00093853 -0.01038204 +C 7.46946866 6.83397847 5.85856179 0.00730691 0.00950842 0.00229180 0.04639686 0.03137159 -0.01248461 0.00109245 -0.00301575 -0.00581448 +H 6.49621169 8.26165695 6.64428793 -0.00390679 -0.01903521 0.00215720 -0.08380858 -0.02183165 0.09089494 -0.02436098 -0.01727370 0.00936795 +O 7.65668954 5.77195700 5.25680740 0.00142549 -0.00515507 -0.00112156 0.00088736 -0.02029370 0.00596299 -0.00043293 0.00061680 0.00313834 +C 8.66532406 7.76847575 5.93651768 -0.00711381 0.00621865 0.00321481 -0.03098057 0.03779063 0.02119466 -0.00164144 0.00526254 0.00469952 +H 8.88858806 8.15912517 6.93892541 0.00943445 -0.01908134 -0.01964323 -0.01557089 -0.03203441 0.05319326 -0.01549314 0.00989480 0.02942747 +H 9.56244901 7.11838145 5.73570633 -0.01167298 0.00421571 0.01681901 -0.06318954 0.10808614 0.00053748 0.01489788 0.00967609 -0.02082349 +H 8.55731275 8.61877808 5.21650871 -0.00077952 0.00600789 0.00712920 0.03508137 0.00780739 0.05327399 0.00574899 0.01380963 -0.00401173 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98814528 5.54932554 5.62538773 -0.00506230 0.00435858 -0.00500475 -0.01810078 0.04945265 -0.02858107 0.00233659 0.00764768 -0.00167862 +C 2.27250818 5.90731989 5.94621289 0.00760414 -0.00093300 -0.00232132 0.05432644 -0.00250591 -0.02176518 0.00469232 -0.00015021 -0.00418064 +H 0.63467538 6.31231834 5.17777571 -0.01706913 0.03524252 0.00785735 -0.12753557 0.02290995 0.12570925 -0.03143266 0.00510588 0.01275490 +C 3.14952338 5.06871068 6.70614384 0.00149466 -0.00671250 0.00902537 0.00609348 -0.01976204 0.04573011 0.00110499 0.00214731 0.00257734 +H 2.23391361 7.64379626 4.60994447 0.00865919 -0.00204768 0.00990653 0.02276925 0.09101285 0.05948069 -0.00194510 0.02627335 0.00324345 +C 4.52761571 5.38698998 6.77351767 0.00083935 -0.00174846 0.00017511 0.00382185 -0.02197415 0.01670584 -0.00014761 -0.00520959 0.00551960 +H 2.77846858 4.17744607 7.24081900 0.02396838 -0.00134669 0.01566128 0.09175637 -0.03855755 0.03106246 -0.00679192 -0.01493322 -0.00168163 +C 5.10559671 6.54916622 6.20641638 0.00319424 -0.00315886 0.00271178 -0.00596751 -0.04933302 0.01266179 -0.00348502 -0.00978105 0.00048791 +H 5.17143896 4.65338935 7.23882835 -0.00423437 -0.00248002 0.00720062 -0.02367716 0.01602687 0.09317875 0.00073604 0.00502366 0.01760682 +C 4.24158897 7.35740692 5.43321971 0.00139192 -0.01344690 0.00582406 -0.00184333 -0.07082625 0.02127789 -0.00172457 -0.00583178 -0.00036126 +N 6.47522314 6.57929075 6.25819036 -0.00234687 -0.00034167 -0.00041883 0.00592195 0.01739098 -0.00814847 0.00224680 0.00262978 -0.00069615 +C 2.83231114 7.08164466 5.34567288 0.00285891 0.00817835 -0.00423482 0.03255118 0.01445661 -0.01737408 0.00543336 -0.00535700 0.00049295 +H 4.66787556 8.12541460 4.79121541 -0.02305489 -0.01512557 -0.01716835 -0.10718468 -0.07835282 -0.00932112 0.00466540 0.00020881 0.01125354 +C 7.41378069 7.44286575 5.75270384 -0.00675630 0.00511543 0.00506310 -0.04638609 0.02948229 0.02925418 -0.00399842 0.00466860 0.00168640 +H 6.90264850 5.83941516 6.77553294 -0.00910396 -0.00734210 -0.02766505 -0.02619420 -0.10748762 -0.13314190 -0.00059387 -0.00335303 -0.01745371 +O 7.14229878 8.44329640 5.08033869 0.00444268 0.00479951 -0.00638630 0.02977014 0.02529779 -0.03489858 0.00347503 0.00191220 -0.00291813 +C 8.88284946 7.03997568 6.02376184 -0.00472075 -0.00136162 -0.00044731 -0.04686028 0.00139478 -0.00534455 -0.00870885 0.00522023 0.00014086 +H 9.36876452 7.67437848 6.74183182 0.00920498 -0.01056669 -0.00354308 -0.00686801 -0.06119381 0.05543193 -0.01844335 -0.01277300 0.01099187 +H 8.93071737 5.94655544 6.36848542 -0.00636459 0.00422776 -0.00874261 0.01643747 0.06349885 -0.11888037 0.01046926 -0.02404483 -0.01566130 +H 9.46182085 7.21256155 5.08344614 -0.00993577 0.02645338 0.01489244 -0.05620216 0.08281224 0.05034979 0.00130176 0.00053132 -0.01424216 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99835772 5.81496350 5.69218019 0.00190779 -0.00363341 0.00169810 0.01263909 -0.02911228 0.00700897 0.00201625 -0.00633175 -0.00099214 +C 2.29628819 6.11588826 5.90481998 -0.00048091 0.00407272 0.00063531 0.01231675 0.01351371 0.00422646 0.00213376 -0.00193460 -0.00082148 +H 0.89489470 5.09649139 5.14345467 0.02335433 0.00414828 -0.00387962 0.10734187 -0.03525079 -0.04924838 0.00671275 0.01432676 0.01273139 +C 2.56889705 7.34556347 6.51430071 -0.00687246 -0.00055059 -0.00642094 -0.00997570 0.00079995 -0.05033091 0.00090001 0.00654464 -0.00491822 +H 3.18269945 4.53553775 4.69051834 0.01307183 0.01496215 0.01117996 0.04826522 -0.13147160 0.18673250 -0.00820750 -0.06433113 0.02271657 +C 3.91295411 7.76340913 6.55464157 -0.00125992 -0.00446062 0.00282638 0.00558271 -0.02541415 0.01973630 0.00198387 -0.00339254 0.00214645 +H 1.80958750 7.97827970 6.72171112 0.02031764 0.00336770 -0.00577344 -0.05645675 0.12526057 0.05528162 0.01206162 -0.01731533 0.00004978 +C 5.00566783 6.91054877 6.13390662 -0.00005309 0.00128238 0.00105221 0.00188257 0.02439319 0.01469680 0.00111885 0.00358344 0.00253678 +H 4.07877568 8.79728369 6.89200755 0.00588516 -0.00149057 0.00122035 0.05985423 -0.07430064 0.01023138 0.01014964 -0.00100335 0.00956372 +C 4.73040761 5.62826873 5.69157044 -0.00234739 0.00446978 -0.00066340 -0.02093036 0.02379863 -0.00979608 -0.00596122 0.00429545 -0.00175194 +N 6.31388330 7.41024501 6.08540662 0.00513798 -0.00550366 0.00114671 0.01094870 -0.00137737 0.03134147 -0.00391107 0.00199527 0.00670999 +C 3.39643933 5.29884184 5.49778199 0.00113696 -0.00125816 -0.00090647 -0.02319831 0.00194690 -0.02096064 -0.00577714 0.00317680 -0.00269685 +H 5.53947608 4.93378081 5.36019774 0.00027089 0.00857198 -0.00227258 -0.10497765 0.05263417 -0.05150406 -0.00147215 -0.01248359 -0.01942906 +C 7.48341384 6.84321880 5.76804514 -0.00368963 0.00843954 0.00295218 -0.01601214 0.04101833 0.01295038 0.00125531 -0.00030309 -0.00051164 +H 6.44641790 8.39508028 6.42120037 -0.00653532 0.01975367 0.00551725 -0.07930001 -0.07532046 -0.03704664 -0.00517250 0.01973947 0.00439072 +O 7.62304291 5.73507195 5.35378315 -0.00564844 -0.00129108 0.00003198 -0.03309260 -0.01570457 -0.00242159 -0.00416647 -0.00124853 -0.00002926 +C 8.67144204 7.71940991 5.94717513 0.00601907 -0.00381756 -0.00038747 0.05061145 -0.00933701 -0.01113380 0.00851639 -0.00075030 -0.00096304 +H 9.03297855 8.04732442 4.92938785 0.01107446 -0.00636545 -0.00309047 -0.03333178 0.04581596 0.06156969 -0.00879503 0.02245861 -0.01077911 +H 8.40867416 8.49559744 6.68032415 0.00389865 0.01902317 -0.00495281 0.16289234 0.08511048 -0.13855191 0.03698878 0.00810501 -0.01988414 +H 9.52962507 7.18236794 6.29320488 0.00656884 -0.00477147 -0.03047366 0.06490656 -0.10467446 -0.06187920 -0.00347656 -0.01059946 0.00678126 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03376858 5.60685319 5.92778192 0.00821370 0.00137343 -0.00240836 0.04881525 0.00320512 -0.01496650 0.00299146 0.00140646 -0.00156657 +C 2.34702423 5.92821865 5.85745011 0.00189691 0.00299048 0.00311967 0.01533158 0.02027300 0.00879157 0.00251142 0.00181154 -0.00075669 +H 0.50578988 6.33923863 6.13410755 -0.00069203 -0.01745680 -0.03825067 -0.07084013 -0.01302020 -0.22077875 0.01007061 -0.01702997 -0.02867794 +C 3.21203912 4.97799419 5.29097686 -0.00188529 -0.00133336 0.00107780 -0.02517852 0.00860433 0.02025693 -0.00338399 0.00391477 0.00324534 +H 2.15319445 7.87973966 6.74753214 0.00552241 -0.01423186 -0.00428901 -0.02166026 0.03791996 0.00247030 0.00521719 0.00541930 -0.00880753 +C 4.53516328 5.29930553 5.19688218 -0.00271875 0.00143367 -0.00178872 0.01357757 -0.01730322 -0.02686003 0.00469425 -0.00535109 -0.00349148 +H 2.88954690 3.96158872 5.02325178 -0.00572091 0.01979241 -0.00754399 -0.10704889 0.08141172 -0.09702642 -0.02228285 -0.00143648 -0.01396031 +C 5.13203159 6.47193559 5.63209112 -0.00119020 0.00120155 -0.00119605 -0.02107224 0.02759631 -0.01078519 -0.00419574 0.00522425 -0.00178066 +H 5.15720027 4.55569472 4.70789159 0.00237419 -0.02061898 0.03240983 0.02006791 -0.11350028 0.23095797 0.00712062 -0.01273410 0.02114870 +C 4.24746036 7.49174470 6.10903760 -0.00788687 0.00293369 0.00238704 -0.06706473 -0.00755031 0.03807253 -0.00688979 -0.00259278 0.00734594 +N 6.52616231 6.56128059 5.49988152 0.00039821 -0.00569545 0.00190340 0.01481494 -0.03834170 0.01512384 0.00106566 -0.00330032 0.00390089 +C 2.81610483 7.21638440 6.25116439 -0.00379336 -0.00135336 0.00275604 0.00941114 -0.02368494 0.01113031 0.00246793 -0.00277151 0.00251226 +H 4.62448655 8.29266637 6.70981087 -0.02537866 0.00526601 -0.00813355 -0.10930143 0.17778622 -0.16848743 -0.01113291 0.02127491 -0.04161250 +C 7.39258716 7.33177347 6.18397835 0.01164236 -0.00359063 -0.00418155 0.01599142 0.00977160 -0.01048966 -0.00736528 0.00525031 0.00128101 +H 7.03036230 5.96007064 4.83397876 -0.01295278 -0.02314693 -0.00865084 -0.18104264 -0.11602751 0.02909994 -0.01534759 -0.02200703 0.00211307 +O 6.98922558 8.19025717 6.99093383 0.00007474 0.00383615 0.00216809 0.01593454 0.00803820 0.00395208 0.00439055 -0.00162730 -0.00135075 +C 8.83998727 7.29749738 5.82391093 -0.00070358 -0.00028756 0.00142060 0.00558826 -0.01200564 -0.00893246 0.00146627 -0.00137799 -0.00395874 +H 9.23654463 8.32661311 5.87909242 -0.02855396 -0.00719540 0.01562795 -0.07859962 -0.00250639 0.11819843 0.01022552 0.00709143 0.01884231 +H 9.37015866 6.61225665 6.52279049 -0.00373394 -0.00004730 -0.02976539 0.05358341 -0.03023757 -0.09520413 0.02210433 -0.01694697 0.00348108 +H 9.03079429 6.85661040 4.83333406 -0.01267848 0.03032953 -0.01687523 -0.10225565 0.26457726 -0.08698995 -0.01051381 0.03679119 -0.01282241 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.07934208 5.48961256 5.76117250 -0.00139736 0.00019596 0.00374521 -0.01352659 0.01341788 0.01852810 -0.00156908 0.00308322 0.00355410 +C 2.31474942 6.00041788 6.03368596 0.00321337 0.00421751 0.00229365 -0.01267155 0.01336834 -0.02168107 -0.00653168 -0.00106454 -0.00757924 +H 0.70707416 5.78377175 4.93576799 -0.00077984 0.00280357 -0.02283337 0.05700000 -0.03747281 0.01799706 0.00042044 -0.00227047 -0.00878067 +C 3.06174676 5.34664060 6.96077211 -0.00571795 -0.00242574 -0.00421777 -0.02094197 -0.01352163 -0.00135028 0.00005926 -0.00113714 0.00374577 +H 2.16794931 7.35584985 4.43036020 0.01663353 0.00340951 0.01771046 0.08621516 0.10384242 -0.05452613 0.00921660 0.01811915 -0.02594450 +C 4.36485792 5.83458059 7.13947971 -0.00319525 -0.00218858 0.00193167 0.00089829 -0.02143110 -0.00435916 0.00219764 -0.00513022 -0.00167722 +H 2.60328318 4.58920932 7.52907637 -0.01895502 -0.02293538 0.00623602 -0.01171532 -0.02086006 0.02114804 0.01692762 0.02168045 -0.00524628 +C 5.06892622 6.63371798 6.14994139 -0.00063893 -0.00011003 0.00197388 -0.03812014 -0.01342085 0.05057700 -0.00617387 -0.00222168 0.01037875 +H 4.92083172 5.45108271 7.98833218 0.00741962 0.00827274 -0.01489424 0.05901773 -0.02118275 -0.03791321 0.00475704 -0.01450057 0.00301924 +C 4.28084944 7.21663956 5.11328847 0.00582288 -0.00517029 0.00430500 0.00823772 -0.04071920 0.02937679 -0.00584399 -0.00716203 0.00511246 +N 6.38441440 6.83903796 6.46084858 -0.00153768 0.00039327 0.00003415 0.02704556 0.00680448 -0.02007120 0.00810851 0.00125046 -0.00483005 +C 2.87565173 6.92616948 5.14415118 -0.00312686 -0.00058659 -0.00412023 0.01068392 0.00225663 -0.02459874 0.00590712 0.00142702 -0.00294548 +H 4.72360698 7.88031105 4.32260932 -0.03063372 -0.00080207 -0.00359145 -0.13198580 -0.02274814 0.05813730 0.01297517 0.00962675 0.00177033 +C 7.40670783 7.19971577 5.67424717 0.00477668 0.00365032 -0.00650485 0.03768660 0.05747382 -0.05538473 0.00398115 0.00992594 -0.00423285 +H 6.77441038 6.54007185 7.32529613 0.00152897 0.01161688 -0.00617709 -0.08363917 0.03998399 0.06864126 -0.02204879 0.00734303 0.00269967 +O 7.31111733 7.63767768 4.50314464 0.00307849 -0.00012268 -0.00203238 0.00925656 -0.00994400 -0.01184302 -0.00023086 -0.00173605 -0.00346424 +C 8.85520116 7.34513991 6.19589710 -0.00031835 -0.00024913 0.00468762 -0.01029408 -0.00278351 0.03626674 -0.00013353 0.00083650 0.00563546 +H 9.18015145 8.34177404 6.33352797 0.01202455 -0.00616949 0.00514872 0.00682762 0.05804705 -0.00477030 -0.01807920 -0.00340913 -0.00326844 +H 9.01042354 6.92525315 7.16413247 0.00613855 0.00639199 -0.01635052 0.00007352 -0.10930861 0.05725521 -0.00972345 -0.02354408 0.00712173 +H 9.56027392 6.87046165 5.52810949 -0.00841097 0.02489352 0.00293250 0.00234319 0.08375426 -0.05858316 -0.00064818 0.00212865 -0.00622054 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99219752 5.74903502 5.67462847 0.00088719 0.00421597 -0.00408684 0.02365091 0.03386005 -0.02047365 0.00488280 0.00389795 -0.00177067 +C 2.35345409 5.93519551 5.84352611 0.00272361 -0.00228300 0.00216722 -0.00315700 -0.01321224 0.02640432 -0.00221500 -0.00137302 0.00548011 +H 0.66318872 6.66524295 5.76664385 0.00140564 -0.00055375 -0.03298410 -0.10459737 -0.04438796 -0.28588858 -0.02721821 0.00051586 -0.04583597 +C 3.08557208 5.00573538 6.64999139 0.00499996 -0.00157377 0.00406946 0.04344586 0.00943641 0.00313065 0.00500732 0.00255592 -0.00231574 +H 2.37453694 7.84840616 4.76744056 -0.01371972 -0.02305399 0.02383722 -0.11165467 -0.01434102 0.08143034 0.00274253 -0.00196771 0.01112982 +C 4.48687117 5.22536541 6.73599290 0.00113724 -0.00167696 0.00189883 0.02929598 -0.01735611 0.01662870 0.00646326 -0.00394386 0.00280122 +H 2.67525752 4.12536537 7.11628402 0.00603862 0.01274659 0.00047846 -0.03890224 0.01867857 0.00197960 -0.00618260 0.00174854 -0.00538407 +C 5.15626808 6.32970567 6.17325466 -0.00419644 0.00108282 0.00514421 -0.05413183 0.01023206 0.02666451 -0.00711280 0.00273545 0.00222317 +H 5.18783781 4.55559563 7.20625041 0.01242513 -0.00065522 -0.02662465 -0.02468799 -0.11822302 -0.04216221 -0.01719237 -0.02434647 0.01364994 +C 4.32085933 7.20460170 5.47713844 -0.00104979 -0.00624754 -0.00054110 -0.00996134 0.00777679 -0.01307644 -0.00190974 0.00781717 -0.00258976 +N 6.50168885 6.54206644 6.32154389 -0.00433005 0.00641800 -0.00165152 -0.00231846 0.03904996 -0.00427156 0.00134367 0.00499396 -0.00018141 +C 2.93380378 7.13842383 5.33125783 -0.00125326 0.00009736 0.00022056 -0.00642030 -0.06019420 0.01887336 -0.00213368 -0.01331111 0.00324887 +H 4.69083898 8.11746112 5.05640977 -0.00320386 -0.00317646 0.01272549 0.06763420 0.00054782 0.02785129 0.01370814 0.00126476 -0.00533334 +C 7.34058757 7.48307053 5.81646330 0.00277664 0.00084456 -0.00570205 0.01706807 -0.00890780 -0.04710888 0.00117636 -0.00233239 -0.00761991 +H 7.00840951 5.81737692 6.82085925 0.00899389 0.01197627 0.01205969 -0.02333689 0.12441042 0.07331496 -0.00676211 0.00993226 0.01694791 +O 7.06022844 8.35193019 5.02775774 0.00117028 0.00476399 0.00025653 -0.00459562 0.04467786 -0.00213527 -0.00195786 0.00745382 -0.00067866 +C 8.82383328 7.30038758 6.03082125 -0.00120486 -0.00762798 0.00083054 -0.00476471 -0.05128541 -0.00872807 -0.00189294 -0.01008537 0.00035487 +H 9.40575935 8.12531823 5.50902766 0.00977659 0.01821735 0.00794666 -0.03472004 -0.02575687 0.25518848 0.00404606 0.00108477 0.04029808 +H 9.01290479 7.19853308 7.07672688 -0.02087546 -0.02390266 0.00757950 -0.04887043 -0.16617272 0.01636678 0.00120839 -0.02027183 -0.01878261 +H 9.10283718 6.45089350 5.42046436 -0.02019354 -0.01616352 -0.01764440 -0.08663424 -0.09223120 0.01858802 0.00173937 -0.00379711 0.01584632 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00002174 5.82538846 5.77026197 -0.00083219 -0.00526132 -0.00045434 -0.02766396 -0.04440744 0.00175046 -0.00390600 -0.00898503 0.00310853 +C 2.32322042 5.91437848 5.90797401 0.00217509 -0.00523776 0.00151884 0.02519538 -0.01052299 0.00366513 0.00191386 0.00125648 0.00131655 +H 0.53135149 6.32304487 5.08293236 -0.04217410 -0.00103660 0.00506536 -0.08198052 -0.05611326 0.10247810 -0.00436677 0.01149516 -0.00933879 +C 2.99767576 5.63463235 7.08112833 -0.00484317 -0.00254946 0.00675359 -0.01090019 -0.03266892 0.07310809 0.00192623 -0.00447320 0.00995381 +H 2.43697747 6.91812157 4.07679848 0.01579250 0.00809792 -0.01234194 0.22347133 -0.01054727 -0.08073598 0.02307848 -0.00429141 -0.02167422 +C 4.40884440 5.85899808 7.32091458 -0.00068543 0.01029094 -0.00310793 -0.02936835 0.06399849 -0.03778865 -0.00606266 0.00746358 -0.00677995 +H 2.40156529 5.13717475 7.85330619 -0.00346496 0.00047102 0.01228984 0.01475471 0.03387780 0.09980065 0.00099988 0.00127334 0.02448390 +C 5.13079065 6.47196465 6.25987849 -0.00161317 0.00565663 -0.00799866 0.01855169 0.02231594 -0.04730392 0.00284754 -0.00006260 -0.00472142 +H 4.86566930 5.51240176 8.23240550 0.00766275 -0.00069241 0.00564524 0.00757477 0.10302718 -0.05610921 -0.00443010 0.02879000 -0.01690657 +C 4.46338773 6.73041070 5.03672969 -0.00415586 -0.00189009 -0.00160196 -0.03842374 0.00920783 -0.01233103 -0.00468309 0.00528010 -0.00143879 +N 6.56647729 6.63490028 6.37218212 0.00078534 0.00070921 -0.00500393 -0.04020559 -0.01151860 -0.01846143 -0.00997461 -0.00208221 -0.00254718 +C 3.05734084 6.53395403 4.90887665 -0.00081374 0.00208737 0.00337359 -0.00218509 0.01994339 0.00710266 0.00148163 0.00267500 -0.00069049 +H 4.97034499 7.19915635 4.20940978 -0.00422796 0.02505570 0.01101893 -0.06706707 0.09834552 0.03491886 -0.01155256 0.00145952 -0.00541481 +C 7.37124175 7.39541991 5.66071889 0.00414228 -0.00449241 -0.00287927 0.01890900 -0.03786006 -0.02525235 0.00036547 -0.00702087 -0.00312257 +H 6.97245287 6.07765984 7.12265416 -0.00335265 -0.00934638 0.01079008 -0.02872221 0.04838717 -0.03432131 0.00125244 0.00718625 -0.00057779 +O 6.99554816 8.08560408 4.70784729 0.00939282 0.00252816 0.00544877 0.07654201 0.02424952 0.03681851 0.01179816 0.00465648 0.00420559 +C 8.79995707 7.24006413 6.08396978 -0.00070764 -0.00356125 -0.00088564 -0.01116320 -0.01286984 -0.00033316 -0.00074990 -0.00195718 0.00286866 +H 9.40090024 8.04347074 5.62782899 -0.01875792 -0.00073394 0.01829699 -0.01320824 0.03200989 0.09012426 0.01233031 0.01407379 0.00913756 +H 8.83647688 7.31640958 7.13522531 -0.02984245 -0.01766137 -0.00252480 -0.11213881 -0.06594589 0.06542637 0.00157235 -0.00458649 -0.00787843 +H 9.09706305 6.22731381 5.85138398 0.00904832 0.02574981 -0.00045555 0.19034550 0.04025737 -0.11091517 0.02973788 0.00456755 -0.02137590 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99159136 5.72584926 5.97699403 -0.00338191 -0.00123279 0.00271775 -0.01533402 -0.00232560 0.01398878 -0.00131871 -0.00295669 0.00007910 +C 2.29278356 6.15748903 5.87518369 -0.00325235 -0.00913500 -0.00464767 -0.01638157 -0.07558508 -0.02512906 -0.00054513 -0.00574194 -0.00043814 +H 0.89486610 4.85419259 5.68545391 0.01543066 0.01835126 -0.00246738 0.02907878 -0.02402603 -0.05434766 -0.00840393 0.01594709 0.00326271 +C 2.62400045 7.39473608 6.34932785 -0.00250963 0.00402020 0.00337002 -0.01229372 0.02775456 0.01511281 -0.00182758 -0.00144812 -0.00098177 +H 3.10018427 4.25817225 4.99054847 0.01664841 -0.01150655 0.00644150 0.06315313 -0.04908773 0.11157860 -0.00252915 -0.01224594 0.01579909 +C 3.96784736 7.83652466 6.34085480 0.00178403 0.00502032 -0.00438192 -0.00448855 0.03443914 -0.01594969 -0.00271262 0.00754491 0.00161525 +H 1.85244663 8.07438832 6.70174268 -0.01979464 -0.02175375 0.01527852 -0.08567398 -0.11456752 0.08296097 -0.00063755 -0.00231263 0.00863689 +C 4.98162782 6.90052909 6.02120697 0.00263674 0.01188101 0.00054790 0.03464673 0.07135731 -0.00394879 0.00429474 0.00564334 -0.00252393 +H 4.16923165 8.81802837 6.62377692 -0.01271878 0.01078695 0.02536051 -0.02745372 0.03242182 0.14069123 0.00166806 -0.02303582 0.00150389 +C 4.64466776 5.60828867 5.61235597 -0.00362673 0.00106924 0.00322804 -0.02166599 0.03088661 0.01805818 -0.00110027 0.00740774 0.00108275 +N 6.33206687 7.32149037 6.15935832 0.00477062 -0.00178792 0.00047168 0.00249862 0.02166953 0.02374914 -0.00274252 0.00830558 0.00641998 +C 3.31313106 5.23481777 5.44598032 0.00189206 -0.00277519 -0.00548128 -0.00896503 -0.00909510 -0.03096756 -0.00339338 0.00023240 -0.00242627 +H 5.46454346 4.93561438 5.36893578 -0.03866890 0.01397378 0.00611719 -0.09897406 -0.09480602 -0.01780585 0.00527308 -0.02218739 -0.00300685 +C 7.51188638 6.89265989 5.80957805 -0.00440515 0.00157794 -0.00053678 -0.00665090 -0.03774317 -0.03620020 0.00298729 -0.00919969 -0.00751771 +H 6.46837107 8.21883716 6.53930781 -0.00197558 -0.00646710 0.01796728 -0.05826623 -0.02689236 0.18480026 -0.00912211 -0.01521232 0.02389838 +O 7.58599977 5.92870189 5.02236933 0.00580389 -0.00677277 -0.00219752 0.04929127 -0.03378426 -0.00220685 0.00770563 -0.00351934 0.00099490 +C 8.74681229 7.61878932 6.36182333 0.00204458 0.00149816 -0.00260059 -0.00243910 0.02057525 -0.02177560 -0.00065747 0.00202404 -0.00355542 +H 8.51283505 8.69229540 6.30628693 -0.00421920 0.00380934 0.02028154 -0.02997354 -0.01909115 0.27726691 -0.00155347 -0.00374139 0.04332856 +H 9.12996700 7.24596857 7.29153261 0.01250145 -0.00435352 0.00074157 0.00326050 -0.00621097 -0.01000322 -0.01705842 0.00061931 -0.01403439 +H 9.54766597 7.71850012 5.66229010 -0.00715820 -0.00770199 0.02060938 0.08678813 -0.17151602 -0.03106092 0.00430309 -0.02746312 -0.00994670 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98601031 5.64103715 5.85881010 -0.00537068 0.00399048 0.00240174 -0.02809139 0.03190550 0.01798778 -0.00082789 0.00318380 0.00496682 +C 2.32626548 5.94512545 5.97628945 0.00354847 -0.00749294 -0.00310765 0.01790928 -0.03927635 -0.02962307 0.00182155 -0.00211115 -0.00634061 +H 0.53437637 6.14218867 5.14304119 -0.04334278 0.00084970 0.01470168 -0.19491343 -0.04229426 0.15988539 -0.02702423 0.01155365 -0.00026164 +C 3.02859503 5.63057247 7.13133932 0.00870109 -0.00343682 0.00352413 0.05221948 -0.02663024 -0.00292419 0.00475460 -0.00535032 -0.00306761 +H 2.44194321 7.06760166 4.20978557 -0.00722627 0.00825582 -0.01777176 0.00794400 -0.04166370 -0.14922469 0.02190928 -0.02450742 -0.00575446 +C 4.38068010 5.95023792 7.23324946 -0.00354109 0.00562061 0.00414670 0.01874132 0.05624971 0.02859485 0.00641247 0.00864435 0.00391398 +H 2.50055315 5.11025690 7.91926164 0.04410637 0.00141016 -0.02834299 0.15609840 -0.13034239 0.06044208 0.00632463 -0.02147896 0.02232917 +C 5.09657399 6.68583066 6.18096044 -0.00100603 -0.00284999 0.00234004 -0.04735217 -0.05349935 0.02793645 -0.00861695 -0.00881869 0.00223593 +H 4.87616136 5.67821707 8.16129048 0.01374694 -0.00385136 0.01476075 0.03345303 0.04128744 -0.03138566 0.00465352 0.01259940 -0.00577782 +C 4.39812698 6.90082054 4.97058536 -0.00224689 -0.00294841 -0.00449403 -0.01117325 0.00390564 -0.00436296 0.00018917 0.00453988 0.00298608 +N 6.39305041 7.00771353 6.44439477 -0.00558570 -0.00078469 -0.00035081 -0.01116011 -0.00205150 -0.00922288 0.00023236 -0.00103734 0.00011734 +C 3.00173507 6.63182257 4.96747849 0.00621873 0.00418869 -0.00720470 0.02032910 0.02826056 -0.06361924 -0.00364813 0.00230060 -0.01031249 +H 4.83449297 7.49321538 4.20819845 -0.00674664 0.01927907 -0.00024255 -0.03120540 0.03734460 -0.02382527 -0.00241753 -0.01695141 0.00428476 +C 7.41114703 7.28294655 5.60115011 -0.00439103 0.00036084 -0.00175317 -0.03366938 -0.00874633 0.01306356 -0.00258109 -0.00228007 0.00486257 +H 6.75478519 6.90868877 7.35002300 0.01029142 -0.00337177 -0.00096768 -0.05070084 -0.03739909 0.02956034 -0.02603347 -0.00292749 -0.00893043 +O 7.30201955 7.40401110 4.37624977 0.00185004 0.00063995 0.00384592 0.01526038 0.00643263 0.02549039 0.00197611 0.00116258 0.00297927 +C 8.75253725 7.32278578 6.33638412 0.00104304 -0.00293145 0.00244513 0.00616538 0.00153607 -0.02026572 -0.00087154 0.00513188 -0.00677125 +H 8.75729480 7.18886375 7.44102685 0.00820243 0.01931974 -0.01763923 0.00085869 0.03743726 -0.02317836 -0.00781101 -0.00782269 0.01347550 +H 9.42641095 6.58497163 5.80689487 0.00390826 -0.00094892 -0.00279671 0.02217029 0.05994537 0.07859354 0.01781787 -0.00685560 0.00907518 +H 9.04476434 8.34610424 6.18070290 0.01134411 0.00954084 -0.00709323 0.13894193 -0.04912887 -0.05270945 0.02139195 -0.02268476 -0.00732418 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99783814 5.66453207 5.91453952 -0.00296385 -0.00181895 0.00329010 -0.01948500 -0.00859384 0.01714695 0.00092279 0.00002859 0.00365812 +C 2.30982898 5.98264181 5.94614755 0.00891532 0.01017768 -0.00660347 0.03762460 0.05465006 -0.01448796 -0.00225804 0.00351054 0.00319555 +H 0.50605403 5.69294930 5.08057569 -0.01890953 -0.00744782 -0.00743213 0.01667259 -0.02047719 0.04392447 -0.00007053 0.00233062 -0.01791521 +C 3.05447805 5.80882701 7.13736153 0.00010135 -0.00656500 0.00166281 -0.01161119 -0.04439429 0.00516541 -0.00098352 -0.00518324 -0.00170012 +H 2.46559874 6.78381557 3.94354613 0.00621245 0.00575520 -0.01006896 -0.01613460 0.07754116 -0.03578322 -0.00302385 0.01184451 0.00772623 +C 4.46160933 5.95301693 7.21061469 -0.00145694 0.00206367 0.00408656 -0.03004998 0.01101247 0.02280718 -0.00684109 0.00145538 0.00104938 +H 2.38213841 5.57479452 8.00067476 0.00839985 -0.01025009 -0.00452260 0.15427758 -0.15833348 0.02550051 0.01338085 -0.03612983 0.02412156 +C 5.14791796 6.41396750 6.09371928 0.00061260 -0.00900451 -0.00152444 -0.02555082 -0.05954572 -0.00984330 -0.00584555 -0.00721697 0.00054089 +H 4.98244231 5.74085373 8.16585631 -0.00205104 0.03026342 -0.01149493 -0.00071705 0.16021612 0.00953005 0.00325004 0.00815446 0.02240493 +C 4.35014359 6.78390507 4.95639421 -0.00153206 -0.00054149 0.00565603 0.01284101 0.01362820 0.03597385 0.00462797 0.00441536 0.00117521 +N 6.49215900 6.57394670 6.27268258 -0.00158724 -0.00417940 -0.00120785 -0.00556476 -0.02374333 0.01162949 -0.00223447 -0.00214380 0.00213445 +C 2.94778433 6.56526251 4.86771059 -0.00189765 0.00377316 -0.00361310 0.02345612 0.02796387 -0.04328241 0.00800950 0.00468614 -0.00802571 +H 4.87404283 7.40717440 4.28061810 0.01560678 0.00293234 0.00742649 0.00628602 -0.10491662 -0.09020652 -0.01447652 -0.03406161 -0.01826988 +C 7.37584697 7.37178463 5.67504104 -0.00280255 -0.00207563 0.00305101 -0.00962586 -0.02901023 0.01900484 0.00013513 -0.00370603 0.00001271 +H 6.85456410 6.17980012 7.15134799 -0.00474067 -0.00338635 0.02261920 -0.06802360 0.00271068 -0.02181789 0.00107876 -0.01007090 0.00513588 +O 7.20359704 7.97754860 4.65593309 0.00449790 -0.00103587 -0.00076726 0.02363107 0.00182849 -0.01401341 0.00201763 0.00060318 -0.00198930 +C 8.74277029 7.29781715 6.30650501 -0.00226481 0.00822219 -0.00460224 -0.01653299 0.05285659 -0.02315149 -0.00094352 0.00668679 -0.00475114 +H 9.18816825 6.34824241 5.98040265 -0.02929660 0.00651468 -0.00534214 -0.11400268 0.01691205 -0.01466751 0.00252298 -0.00215334 0.00136002 +H 9.32755648 8.10442611 5.85103672 0.00818255 -0.00417989 0.01053006 0.10468811 0.02220402 0.10012554 0.01357905 0.00695589 0.00619270 +H 8.64609443 7.30046424 7.45681904 0.01817282 0.01109594 -0.00249052 0.16022046 0.11781599 -0.13483619 0.01698204 0.01750879 0.01441783 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.93817875 5.75241650 5.86907896 -0.00141573 0.00201914 -0.00062309 -0.00330703 0.02184472 -0.00852361 0.00040150 0.00137903 -0.00171297 +C 2.26872180 6.06497668 5.82510628 -0.00080978 0.00309990 0.00011906 0.00859977 0.03502430 0.01635951 0.00216708 0.00568727 0.00453373 +H 0.73733674 4.85228080 5.86277018 0.00953396 0.01875391 0.01249255 0.04475620 -0.02991839 0.07644651 0.00999327 0.02000550 0.00739919 +C 2.64685369 7.42909333 6.02466128 -0.00128808 0.00116588 0.00153308 -0.01583444 0.01804684 0.01214529 -0.00532797 0.00440151 0.00108281 +H 3.05400380 4.05125565 5.62244598 -0.04433977 0.00444576 -0.01262031 -0.15035539 0.07929465 -0.09264891 0.00571417 0.00559021 -0.00920746 +C 3.99471834 7.88389004 6.24483174 -0.00009966 -0.01171072 -0.00087160 -0.02564325 -0.06675039 -0.01383494 -0.00453885 -0.00513430 -0.00247287 +H 1.91812684 8.16127944 6.08942042 -0.02049933 0.01673534 -0.02178648 -0.07308771 0.02040305 -0.12007923 0.01850158 -0.02306676 -0.00748902 +C 5.01632137 6.95012172 6.15445625 0.00031047 0.00070851 0.00405992 0.02365317 -0.04887738 0.00223279 0.00335305 -0.01307021 -0.00346825 +H 4.17726394 8.91057157 6.35776273 0.00080786 0.00638257 -0.01376348 0.00707317 -0.04732026 -0.03001144 -0.00234117 -0.03218634 0.00350264 +C 4.63931642 5.58505270 5.78828081 0.00480121 -0.00282297 -0.00635629 0.03478061 -0.00912102 -0.02496545 0.00395649 -0.00075359 0.00062579 +N 6.38858809 7.35370895 6.32866046 -0.00098128 -0.00345732 -0.00079125 -0.03267539 -0.01304857 0.00594345 -0.00619728 0.00192876 0.00371524 +C 3.30384961 5.10888243 5.73329135 -0.00150569 -0.00312676 0.00445839 -0.01868557 -0.00071708 0.02390150 -0.00231498 0.00454712 0.00148970 +H 5.37483866 4.80571506 5.52627283 0.01632596 0.01973054 0.02539071 0.16667625 0.10079445 0.20557295 0.02295536 -0.00205861 0.02166743 +C 7.52871439 6.87327584 5.84877829 -0.00227924 -0.00105409 -0.00572966 -0.03118385 0.01509016 -0.03301563 -0.00477155 0.00673989 -0.00249144 +H 6.48831439 8.19551848 6.77682060 0.00199376 -0.00202843 0.00599682 0.01654707 -0.00656247 0.09345683 -0.00584721 -0.03061140 0.00187013 +O 7.51410442 6.07899123 4.95872446 0.00135052 0.00395850 0.00291986 0.01514241 -0.00268867 -0.00140013 0.00279810 -0.00491311 -0.00371985 +C 8.79539375 7.53450740 6.23633824 0.00185111 0.00321897 -0.00135317 0.02911353 0.03073282 -0.00233994 0.00528073 0.00538496 -0.00161019 +H 9.08478771 7.29815891 7.28703059 0.00347954 0.00325045 0.02364049 -0.02559774 0.07663205 -0.05274908 -0.00427589 0.00673787 -0.00889178 +H 9.55593877 7.25074925 5.54115915 0.01765418 -0.00978119 -0.00700911 0.07568275 -0.06480766 0.06832014 -0.00370584 -0.00205337 0.02932303 +H 8.64688631 8.58384583 6.01462434 0.01803255 0.02104426 0.01153326 0.14730756 0.06538042 0.15916830 0.02050445 -0.00603931 0.02396286 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.07551006 5.60964652 5.80241171 0.00600685 -0.00311482 0.00148924 0.02087671 -0.02706119 0.00669381 -0.00060863 -0.00527444 -0.00182835 +C 2.34966425 5.96976459 5.95912163 -0.00090707 -0.00221582 -0.00496572 -0.00563661 -0.00675151 -0.00592744 0.00120196 0.00129673 0.00319740 +H 0.87007879 5.30881225 4.96689304 0.02206033 0.01076781 -0.00734481 0.11247423 0.07348273 -0.06563117 0.01037622 0.01678025 0.01577362 +C 2.88768635 6.07996692 7.23326725 -0.00214983 0.00173506 0.00075802 -0.03226807 0.00903671 0.01493150 -0.00516453 0.00120566 0.00038536 +H 2.62693020 6.51438922 3.89358666 0.02715650 -0.00016289 -0.00117709 0.12281872 -0.10870101 -0.04110554 0.00340118 -0.02413235 -0.01779106 +C 4.24544935 6.38952331 7.33468540 -0.00721522 -0.00096951 -0.00156274 -0.02931213 -0.01429111 0.01446524 0.00127846 -0.00235386 0.00720850 +H 2.25157871 5.91861051 8.12446378 -0.01500645 0.01472228 0.01857210 0.02827686 0.05225754 -0.02147108 0.00033530 -0.00470700 0.00314199 +C 5.02696777 6.64503026 6.23178825 -0.00225239 -0.00494343 -0.00333316 0.02275793 -0.03249650 -0.01360961 0.00771627 -0.00409737 0.00285885 +H 4.74125550 6.29056444 8.22612575 0.00448751 0.00970687 0.00566470 -0.05638471 0.11835539 0.11334789 -0.03456307 0.02110581 -0.00741243 +C 4.42362530 6.65648390 4.97373321 0.00430065 0.00568051 0.00883139 0.03723207 0.04430495 0.03050808 0.00676565 0.00716754 -0.00395982 +N 6.41637100 6.79745439 6.42022219 0.00131294 0.00340786 -0.00033984 0.00063997 0.03084149 0.01768005 -0.00113862 0.00464535 0.00553494 +C 3.07955255 6.33454646 4.87234165 0.00596691 0.00544281 0.00386034 0.04432085 0.04829086 -0.01116065 0.00575638 0.00684766 -0.00497770 +H 4.95283739 6.90612409 4.14273770 0.02417690 0.00593432 -0.01359386 0.05307375 0.01294667 -0.02935108 -0.02410753 -0.00730056 0.02834941 +C 7.42510441 7.21876016 5.65512982 -0.00056995 -0.00321283 -0.00346736 -0.00894524 -0.03004392 -0.03593996 -0.00185253 -0.00464152 -0.00505375 +H 6.70966097 6.79527957 7.38504362 -0.01751951 0.00201904 -0.00903664 -0.06498933 -0.05725014 0.04855244 0.00188209 -0.01408858 0.01077131 +O 7.21408081 7.47316246 4.48718345 -0.00810397 -0.00307610 0.00009336 -0.04782037 -0.01534540 -0.01332019 -0.00512588 -0.00129690 -0.00437805 +C 8.87355940 7.31937729 6.16643667 -0.00162530 0.00228232 -0.00344034 -0.01161074 -0.00882957 -0.00982431 -0.00136334 -0.00235005 -0.00277583 +H 9.45740722 7.41924092 5.28518042 0.01911946 0.00791516 -0.00244767 0.12893058 0.14743562 0.07255360 -0.00016903 0.02337580 0.03592606 +H 8.92456629 8.15917495 6.88340260 -0.00004428 -0.01028236 0.02346249 0.04640896 -0.11489714 0.05009966 0.00737511 -0.01308451 0.00192139 +H 9.28173742 6.39367659 6.63351500 0.00366127 -0.03498203 0.00505887 -0.14891683 0.01101950 -0.07021165 -0.02854112 0.00516272 -0.01194368 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00261953 5.70964488 5.78342786 -0.00159424 -0.00084869 0.00546950 -0.03207387 -0.00039052 0.04328264 -0.00768935 -0.00090849 0.00533520 +C 2.28601022 6.08605875 5.92204687 -0.00527665 -0.00399219 -0.00370714 -0.02365928 0.00885618 -0.01090236 0.00047571 0.00329410 -0.00133160 +H 0.75138850 5.00857555 5.26237595 -0.00580900 0.00805557 -0.00028232 0.04101866 0.00508068 -0.04586576 0.02176943 0.02054661 0.00948947 +C 2.65148099 7.25383523 6.66730134 0.00312739 -0.00487382 0.00277701 0.02775003 -0.05617075 0.00549550 0.00404080 -0.00807404 -0.00070610 +H 3.04496800 4.56843136 4.67511683 -0.00234891 -0.02751858 -0.02622854 -0.01707824 -0.02230311 -0.09101852 -0.00041389 0.01707198 -0.00081381 +C 4.01518790 7.56604103 6.86195493 0.00111118 0.00379654 0.00333703 0.00710388 0.02724861 0.00422443 0.00183357 0.00356834 -0.00228092 +H 1.86614885 7.88232559 7.12550062 0.03719122 -0.00120371 -0.04432917 0.05866303 0.08600690 -0.14466532 -0.01708618 0.01439428 0.00478937 +C 5.01698462 6.86347770 6.16631541 0.00206996 0.00744473 0.00095948 0.04497649 0.03249221 0.02786578 0.00729826 0.00092494 0.00574590 +H 4.28865159 8.43158487 7.46138773 -0.00709682 0.00155282 -0.02228984 -0.03519728 0.08802843 -0.04677353 -0.00441743 0.01779655 0.00647935 +C 4.61996665 5.75736527 5.38868144 0.00201083 0.00616410 0.00161321 0.00062595 0.04847041 0.00330637 -0.00392970 0.00654104 -0.00052370 +N 6.41966220 7.12509369 6.47188869 0.00197369 -0.00101297 -0.00007213 -0.01179881 0.00551530 -0.00418272 -0.00366015 0.00143468 -0.00261322 +C 3.26013234 5.42504310 5.25830663 -0.00451156 -0.00166249 -0.00759258 0.00181545 -0.04679543 -0.06888613 0.00375270 -0.00781275 -0.00922776 +H 5.43002834 5.19485144 4.84031080 -0.02786906 0.00131639 0.00874597 -0.14644792 -0.07531667 0.03693821 0.01263865 -0.02542259 -0.00771069 +C 7.49939803 6.90573794 5.70709990 0.00812493 -0.00471389 -0.00009088 0.02981486 -0.01975650 0.01374935 -0.00134860 -0.00058337 0.00430709 +H 6.63493404 7.71882487 7.28421591 -0.02051365 0.00732814 0.01901638 -0.15630798 -0.04624188 -0.00649386 -0.00976749 -0.00064842 0.00470044 +O 7.49300722 6.23761976 4.69237849 0.00029752 0.00138847 0.00199056 0.00892167 0.00256390 0.00191657 0.00231844 -0.00082524 -0.00147438 +C 8.73726433 7.66175850 6.14258914 -0.00096208 -0.00384954 -0.00093689 0.00088697 -0.00532411 0.00100114 -0.00150864 0.00054021 0.00227969 +H 8.44345908 8.57403901 6.69211732 -0.02370892 0.01483616 -0.00376694 -0.07842590 -0.00216381 -0.17754709 -0.00226274 0.00198048 -0.03275158 +H 9.26510921 7.08872873 6.93715104 -0.03288572 0.01066668 0.00898800 -0.11764242 0.00592908 0.04719029 0.00876240 -0.00920068 0.01196120 +H 9.46865686 7.91386825 5.31380659 0.00834816 0.01057177 -0.01387564 -0.08139942 -0.01932803 0.05666871 0.00041080 -0.00985320 -0.00040782 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00541690 5.65110508 5.86116890 -0.00659148 0.00161151 -0.00355221 -0.02702109 0.01237036 -0.01649421 -0.00111639 0.00233714 -0.00191646 +C 2.33844123 5.98551698 5.94339525 0.00499204 -0.00137919 0.00263651 0.00605660 -0.00315774 -0.01169220 -0.00455396 -0.00000679 -0.00495741 +H 0.51629998 6.03416759 5.12694863 -0.01416873 -0.00739003 0.02351039 -0.11402252 0.02422650 0.03197000 -0.00551692 0.00894263 -0.00308289 +C 3.01620735 5.67251387 7.09741622 -0.00418226 -0.00285298 -0.00667949 -0.02816986 -0.03879382 -0.00663533 -0.00165009 -0.00622578 0.00223320 +H 2.46617011 6.82859562 3.95576404 -0.00771402 -0.03469183 0.01289700 0.08017650 -0.20009446 0.04365214 0.01904914 -0.00939530 -0.02003566 +C 4.39550704 5.83328233 7.21934990 -0.00346939 -0.00111609 0.00087323 -0.03435378 0.00394984 0.00249122 -0.00555355 0.00362488 -0.00325900 +H 2.42289938 5.21131201 7.92324394 -0.00818894 0.00396871 0.00693153 0.02656689 0.00967769 -0.04462719 -0.00659572 -0.01852240 0.00845079 +C 5.05027976 6.60289429 6.24952639 0.00346556 0.00066517 -0.00103690 0.05217994 -0.01781032 -0.00563569 0.00699197 -0.00629629 0.00052972 +H 4.86164861 5.36180289 8.14051159 -0.01330193 -0.01178346 -0.01321576 -0.01851355 0.02663407 -0.08283769 0.01958447 0.00444874 0.02089892 +C 4.41002922 6.93400501 5.02242802 0.00872992 -0.00163102 0.00481220 0.04018654 -0.01748222 0.02404029 0.00409809 -0.00169956 0.00048698 +N 6.45373613 6.69119308 6.42433986 -0.00326091 0.00890971 0.00123729 -0.02346320 0.06536115 -0.00173090 0.00008667 0.00791362 0.00121978 +C 3.05018398 6.57432344 4.86960481 0.00946102 0.00084807 0.00542106 0.04298093 0.00521328 0.04334364 0.00339076 -0.00058120 0.00721192 +H 4.87156251 7.27585565 4.14390582 0.00410550 0.00729733 -0.00413944 0.08737805 0.10914752 0.06202522 0.00544148 0.00989316 0.03365233 +C 7.38227314 7.29686693 5.66599155 -0.00053440 0.00130548 0.00468659 -0.01617939 0.03237189 0.00340359 -0.00263679 0.00729923 -0.00366549 +H 6.83875472 6.15001124 7.14895051 0.00940895 0.01604205 -0.02369536 0.05088430 0.06289808 0.02798515 -0.01376443 0.02103231 0.00562304 +O 7.21302782 7.88338697 4.59564902 -0.00509312 -0.00167814 0.00010398 -0.04415080 -0.01420396 0.00498320 -0.00713554 -0.00187021 0.00078829 +C 8.75576846 7.32157105 6.15962704 0.00205719 -0.00272804 -0.00526862 0.05415741 -0.04852023 -0.03483607 0.00992855 -0.00818428 -0.00392985 +H 8.94593793 6.37366661 6.67474485 -0.01806905 -0.02622231 0.00741193 -0.07161445 0.01088361 0.02322088 0.00650211 0.01407971 0.00556389 +H 9.43551021 7.28527357 5.30263606 0.03703149 0.01003766 -0.01733513 0.08213094 0.06139289 0.04586686 -0.00280666 0.00019417 0.01403032 +H 9.03268930 8.16893424 6.78736401 -0.00283815 0.00207378 -0.01970405 -0.05975332 0.01973936 -0.07303402 -0.01145871 -0.00423047 -0.00039609 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99940753 5.98336457 5.77575713 0.00277812 0.00220064 -0.00202694 0.01744907 0.01098592 -0.00965239 0.00324877 0.00081417 0.00029245 +C 2.35530075 6.02265814 5.96659119 0.00662345 -0.00162967 -0.00124165 0.02507646 -0.01351758 -0.03495865 -0.00134144 -0.00267511 -0.00668448 +H 0.62367100 6.13278658 4.93196706 0.00946450 -0.00252609 -0.03115823 0.18458193 -0.03009124 -0.04773707 0.02908218 -0.00376619 -0.00272817 +C 3.01493145 5.65723825 7.14375368 0.00092581 -0.00021884 -0.00391387 -0.00302300 0.01071096 -0.01479598 -0.00039049 0.00257780 0.00059585 +H 2.62764905 6.64739866 3.90660964 -0.05351193 0.01918848 0.01281333 -0.18269879 0.16469657 0.17035227 0.00073568 0.02777800 0.01211612 +C 4.39322126 5.80598222 7.25357378 0.00040475 -0.00227351 0.00938361 0.00533520 -0.01519335 0.05156818 0.00282442 -0.00125500 0.00637353 +H 2.40291644 5.45439555 8.02157222 0.01854070 0.01635170 -0.00280727 0.06065589 -0.01260031 0.01822570 -0.00769551 -0.01764533 0.00553432 +C 5.18298923 6.29312732 6.20433876 0.00318179 -0.00332295 0.00203985 0.00944643 -0.01918692 0.02888521 -0.00460234 -0.00202039 0.00374643 +H 4.74777822 5.56249508 8.23052046 -0.00796639 0.02442350 -0.01397079 0.11751050 0.11832635 0.10123325 0.02137314 0.00886055 0.01443671 +C 4.53354848 6.64432451 5.04564179 0.00068995 -0.00219583 -0.00005845 -0.04606478 -0.01354696 -0.03416129 -0.01049729 -0.00222425 -0.00817845 +N 6.53572650 6.56919275 6.42647128 -0.00564446 0.00185758 -0.00110313 -0.04185112 0.01067550 0.00312628 -0.00285325 0.00172123 0.00173578 +C 3.12204973 6.45054647 4.87073806 -0.01071947 0.00218607 -0.00112573 -0.04542074 0.02068445 -0.00808908 -0.00128300 0.00415735 -0.00041547 +H 4.96501363 7.17157587 4.23529100 0.00346059 -0.00617757 -0.00411024 0.05748063 -0.12550588 -0.07449765 0.00076874 -0.03016789 -0.00621996 +C 7.28368447 7.38802391 5.68801649 -0.00056990 -0.00804359 0.00117002 0.01811429 -0.03832299 -0.02006164 0.00515310 -0.00319678 -0.00535132 +H 6.88267298 6.20736576 7.27999481 0.01751617 0.00514065 0.01051891 0.09566429 0.05370345 -0.05253759 0.00095815 0.00585432 -0.02087780 +O 6.97940278 8.04011368 4.66918713 -0.00063977 -0.00033763 0.00376775 -0.00545172 -0.00798888 0.03876418 -0.00100350 -0.00161660 0.00642405 +C 8.71974873 7.39887460 6.06186597 0.00594045 0.00296401 -0.00422085 0.04694013 0.01813576 -0.00154897 0.00552619 0.00092694 -0.00050986 +H 9.04530540 6.36976134 6.19648508 -0.00379123 0.00748064 -0.00671349 0.06985163 0.00596517 -0.08645697 0.02601831 0.00105808 -0.01347570 +H 9.41026787 7.90306501 5.37178692 -0.01073466 0.01905994 0.01359921 -0.06498513 0.14175289 -0.01509488 -0.00592062 0.01572096 -0.01518516 +H 8.88663365 7.84998404 7.10322982 -0.00565919 0.01103133 -0.01469666 -0.07090073 0.08644279 -0.12384329 -0.00636765 0.02532624 0.01988116 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02502026 5.81910550 5.68306114 0.01235941 -0.00156189 -0.00160451 0.07287708 -0.01361370 -0.01005749 0.00533578 -0.00385181 -0.00100004 +C 2.34809184 6.15132073 5.82949587 -0.00092671 0.00341867 0.00222580 -0.01789565 -0.00600209 0.01455482 -0.00098736 -0.00266781 0.00180573 +H 0.81409454 5.07008668 6.16066482 -0.01537269 0.00452191 -0.00083346 -0.06987333 0.00997020 -0.01920497 0.00686618 0.01613875 -0.01441877 +C 2.67579515 7.47176356 5.63878018 -0.00186417 -0.00125384 -0.00349557 -0.01119005 0.00481154 -0.02965826 -0.00098787 0.00007070 -0.00371886 +H 3.14092109 4.05011251 6.20593045 -0.01440673 -0.00406537 0.00700032 -0.17122459 0.13471544 0.07536466 -0.02986867 0.01359438 0.01389913 +C 4.00112210 7.83248990 5.63671721 -0.00424696 -0.00683210 0.00642525 -0.01091868 -0.02792590 0.04750502 -0.00068771 0.00006766 0.00525070 +H 1.95858443 8.28623771 5.40237911 0.01347806 -0.00134562 0.00031802 -0.02391401 -0.05067149 -0.01118569 -0.02916086 0.00244338 -0.01075308 +C 5.00480412 6.87290312 5.97445256 -0.01079670 0.00277555 -0.00104537 -0.04012772 0.03242462 0.00733658 0.00273831 0.00361342 0.00482289 +H 4.25615352 8.88917716 5.52999473 0.00932972 -0.00245564 -0.02264045 0.02159725 -0.11836969 -0.16129106 -0.00024104 -0.01256487 -0.01831493 +C 4.66666652 5.54553030 6.29389558 -0.00116032 0.00161891 0.00198585 -0.03315949 0.00539350 0.00394094 -0.00592102 -0.00034975 -0.00094890 +N 6.26019848 7.43818341 6.08237324 0.00702639 0.00219404 0.00576590 0.01310747 0.01904454 0.03422942 -0.00372805 0.00137061 0.00308677 +C 3.31032077 5.14245453 6.13129749 -0.00473314 0.00461341 -0.00186832 -0.01393002 0.03213682 -0.00823236 -0.00040117 0.00552057 0.00008795 +H 5.36374442 4.83814855 6.64843508 -0.00999027 -0.01382410 -0.00535685 0.00416492 -0.05926973 -0.08014888 -0.00461039 0.01436100 -0.01986644 +C 7.43617788 6.89310058 5.89197163 0.00332698 0.00193891 0.00113110 0.02997665 -0.03798848 0.02389149 0.00302287 -0.00947439 0.00569468 +H 6.23327901 8.43200038 6.26566641 -0.01757243 0.00955305 -0.01224864 0.00318377 0.02462251 -0.10707259 0.02096208 0.00457399 -0.01436239 +O 7.63795696 5.66062682 5.79736617 0.00391909 -0.00257404 -0.00265742 0.02080163 -0.00169752 -0.02184839 0.00218023 0.00082442 -0.00348825 +C 8.63307215 7.76976882 5.96066487 -0.01160583 -0.00000080 -0.00436038 -0.01071795 0.00133405 -0.03400076 0.00645049 0.00160359 -0.00352710 +H 9.39160900 7.51834533 6.69386146 0.02316096 0.00858670 0.00041270 -0.07915640 -0.03080351 -0.02143594 -0.03268348 -0.01939720 -0.00059706 +H 9.24262094 7.62826861 5.04428830 0.01170049 -0.01130243 -0.00432632 -0.07441405 -0.00394217 -0.00419804 -0.01569195 0.00881019 -0.01817936 +H 8.45702307 8.83449015 6.12032987 0.02504535 -0.02932587 0.01330196 0.00707401 0.02227316 0.05802283 -0.02150860 0.02030130 -0.00186886 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95342928 5.68895515 5.70452629 0.00981341 0.00184179 -0.00384931 0.07389234 0.01237891 -0.01837674 0.00996752 0.00300357 -0.00277059 +C 2.28832747 6.12069416 5.89640721 0.00308247 0.00433637 0.00301902 -0.00919169 0.01408374 0.00116311 -0.00346363 -0.00072006 -0.00162025 +H 0.61839327 4.91964277 6.13665101 -0.02054036 -0.01236513 -0.00228629 0.05316641 0.04264953 -0.05567204 0.02420231 -0.00360183 0.00261312 +C 2.65789508 7.34506208 5.33268781 -0.00028719 -0.00250378 0.00162085 -0.01957071 0.00330476 0.01330174 -0.00417760 0.00302186 0.00234606 +H 3.05899479 4.35226538 6.75722834 0.00761177 0.00194855 -0.00143995 0.00359714 -0.07128598 0.05310576 -0.00392888 0.00396099 0.00457131 +C 3.96973859 7.81459020 5.40886553 -0.00222568 -0.00623968 0.00267871 0.00377315 -0.04260734 -0.00616996 0.00347448 -0.00308063 -0.00614849 +H 1.90920784 7.96206305 4.86619076 -0.01202621 0.00289230 -0.00346766 -0.01858960 -0.02604689 0.00841269 0.00252073 -0.00416456 0.00207374 +C 4.99980317 6.96983749 5.85792167 0.00159173 -0.00358084 -0.00147228 0.01898233 -0.01583736 -0.00290484 0.00431417 0.00052347 0.00084018 +H 4.22803235 8.71166050 4.97069858 0.00923851 -0.01267868 -0.02373926 0.00802630 -0.02522960 -0.10655806 -0.01384999 -0.02095438 0.01054096 +C 4.62349746 5.71800978 6.41190920 0.00090947 0.00116025 0.00010543 0.03007079 0.01606255 0.00711185 0.00362251 0.00005940 0.00208597 +N 6.33151155 7.43627881 5.77960212 0.00217466 0.00715962 0.00678662 -0.00609463 0.06119090 0.03948835 -0.00556681 0.00783195 0.00422713 +C 3.30148347 5.30913692 6.40333644 -0.00554527 -0.00013908 0.00134089 -0.03030824 -0.01303054 0.01900439 -0.00073215 -0.00395605 0.00463189 +H 5.46455917 5.24066513 6.89013236 0.01151517 -0.01203157 -0.00433944 -0.10242292 -0.21000390 -0.07383364 -0.02733746 -0.03522065 -0.01428816 +C 7.52122853 6.87110029 5.98796380 -0.00788617 0.00424246 -0.00366092 -0.05138104 -0.01720126 -0.01985908 -0.00393430 -0.00495527 -0.00177045 +H 6.48864156 8.38752741 5.43549474 -0.00968495 -0.00127869 -0.02124341 -0.12149061 0.00676788 -0.06251543 -0.01460611 0.01688422 0.00115276 +O 7.63542208 5.63290944 6.06491889 -0.00167915 0.00145152 0.00119282 -0.01019819 0.02191633 0.00996991 -0.00199030 0.00335339 0.00160740 +C 8.71359504 7.74800641 6.08975932 -0.00229962 -0.00170790 -0.00244871 0.01730729 -0.01801234 -0.03087734 0.00062895 -0.00016674 -0.00435033 +H 8.65860285 8.39521883 6.90735224 0.00920828 -0.03011141 0.00764125 0.03791406 -0.07555648 0.12509987 0.00842849 -0.01711472 -0.00688752 +H 9.76943825 7.25845915 6.18943275 -0.01114989 -0.03997718 -0.01521447 -0.30395463 -0.27385443 -0.08693774 -0.01724553 -0.05525753 -0.00801889 +H 8.85295451 8.26461267 5.16185774 0.00735690 0.00465405 -0.00214906 -0.00209675 0.11060436 0.01274738 -0.00425476 0.01624537 0.01545431 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98407468 5.73812375 5.79966922 -0.00327481 0.00488985 -0.00391761 -0.01917957 0.03964509 -0.01976327 -0.00241766 0.00553408 -0.00236015 +C 2.34095514 5.97704703 5.81389520 -0.00055487 -0.00440738 0.00007438 -0.01159673 -0.03802586 0.00898029 -0.00198132 -0.00343291 0.00278662 +H 0.57952196 6.25690085 6.44874100 -0.03292592 -0.00814038 0.01284596 -0.15778605 -0.10111266 -0.03279716 -0.00973103 -0.01450895 -0.01453266 +C 3.22193197 4.88280204 5.60347559 -0.00342732 0.00022698 0.00466087 -0.02198275 -0.00054474 -0.00649493 -0.00161294 -0.00173013 -0.00555510 +H 2.25588674 8.10831077 6.33683476 -0.00393986 -0.00128336 0.01679090 0.00641665 -0.11633782 0.05066055 0.00156178 -0.01782855 -0.00016340 +C 4.62474320 5.08932910 5.52596190 0.00604202 -0.00306726 0.00360255 0.01401999 -0.03943872 0.03890872 -0.00349192 -0.00766821 0.00683527 +H 2.77954863 4.00590117 5.16981157 -0.03933285 -0.00009275 -0.00196623 -0.10975504 -0.01290715 0.17602931 0.01136928 -0.00747069 0.04393087 +C 5.16648390 6.32810467 5.83820229 -0.00199132 -0.00167016 -0.00317006 -0.01293995 -0.01287143 -0.02272520 0.00047511 -0.00145059 -0.00330809 +H 5.30346343 4.26852380 5.33913519 0.01953160 0.00466215 0.01274081 0.04293981 -0.01113724 0.02010655 -0.00895009 -0.01001935 -0.00450118 +C 4.25914906 7.38595520 6.10930331 0.01358824 0.00138800 -0.00273818 0.07214353 0.01615255 -0.01338120 0.00355592 0.00117824 -0.00105826 +N 6.53720048 6.38474870 5.84371775 -0.00157718 0.00277723 -0.00334796 -0.01005849 0.02872855 -0.02853155 -0.00113958 0.00316730 -0.00430689 +C 2.86079287 7.23434073 6.10902273 0.00489781 -0.00665782 -0.00186053 0.04830989 -0.03233685 -0.00658259 0.00945870 -0.00375283 -0.00013383 +H 4.63267859 8.40396162 6.32915399 0.01033881 -0.01186875 0.01330561 0.07182809 -0.04668426 0.09463808 0.01444488 0.01378237 0.01355392 +C 7.30601810 7.45419888 5.96692354 -0.00667063 0.00073567 0.00401022 -0.00124184 0.02387831 0.04073359 0.00615293 0.00521090 0.00689555 +H 7.09812689 5.59611618 5.59401998 -0.01014129 0.00492469 0.02623273 -0.08796463 -0.09553612 0.16131329 -0.01935972 -0.00670207 0.01939673 +O 6.93648667 8.58361888 6.26167271 0.00112954 0.00335114 0.00101346 0.00194432 0.02672647 0.00311816 -0.00045705 0.00454659 0.00006789 +C 8.83379068 7.22680983 5.95566556 -0.00171126 0.00415608 -0.00106821 -0.01696719 0.00383801 0.00469247 -0.00559992 -0.00399196 0.00227714 +H 9.04252656 6.14521994 6.04693601 -0.00209312 -0.01066126 -0.04095653 -0.02699517 0.06243111 -0.34986163 -0.00543111 0.01416430 -0.05257656 +H 9.47697454 7.72329771 5.14695794 -0.01101464 0.00149838 -0.00250283 -0.18735752 0.02884216 0.01626264 -0.01862775 0.02927220 -0.01368579 +H 9.21152398 7.60078219 6.93555577 0.00432842 -0.03766494 0.01429038 0.03094201 -0.21472218 -0.00154407 0.01329413 -0.01837072 0.00067362 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00940786 5.78149246 5.63183783 -0.00421919 -0.00373253 0.00000057 -0.02441140 -0.02037262 0.00877370 -0.00152536 -0.00364970 0.00317440 +C 2.27780039 6.17361464 5.84991206 0.00104194 0.00433900 -0.00110642 0.02115687 0.02679872 -0.01607687 0.00173494 0.00335601 -0.00282097 +H 0.94554914 4.92459535 5.93129760 0.01116430 -0.00141799 -0.00378995 -0.01498395 -0.07693092 -0.05356324 -0.01223667 0.01472391 -0.02190239 +C 2.61145823 7.51892952 6.09043283 0.00124378 0.00313313 0.00644276 0.00442387 0.02328463 0.06536164 0.00167733 0.00220546 0.00968550 +H 3.04008023 4.18347981 5.71316520 -0.00884373 0.00096911 -0.00372782 -0.02703853 0.01393235 -0.05819076 0.00445050 0.01571746 -0.01047638 +C 3.98101883 7.86132387 6.25050509 0.00304281 -0.00454775 -0.00293302 0.00601943 -0.03536543 -0.04081712 -0.00032485 -0.00312337 -0.00679399 +H 1.80290000 8.18155534 6.41561441 -0.00230417 0.04199891 -0.00163239 0.13963169 0.16760710 -0.17753963 0.02168218 0.01190067 -0.03447682 +C 4.98872358 6.90475403 5.94176506 -0.00251449 0.00036667 -0.00210531 0.00091727 -0.02848324 -0.00096077 0.00314136 -0.00796224 0.00159569 +H 4.22886163 8.88025446 6.44837985 0.01065422 -0.01980431 0.00257650 0.07967513 -0.03786832 0.04732659 0.00456598 -0.00701928 0.00110837 +C 4.67003598 5.49960213 5.82419107 0.00424570 -0.01260490 -0.00131944 0.02451245 -0.01601091 0.00001171 0.00263244 0.00501525 0.00117560 +N 6.29129822 7.40554913 5.97432724 0.00055088 -0.00047690 -0.00128540 -0.02530476 0.01405888 -0.00373999 -0.00401301 0.00462113 -0.00001024 +C 3.31751175 5.19518729 5.78249933 0.00381333 0.00762718 -0.00047713 -0.00349151 0.02880490 -0.00625735 -0.00368226 -0.00105998 -0.00168759 +H 5.44871840 4.76710801 5.83965511 -0.01677873 -0.00436587 0.00771688 -0.03370463 -0.15357763 -0.03254058 -0.00688656 -0.01124910 -0.01586174 +C 7.44752620 6.88283516 5.94008054 -0.00269422 -0.00411787 -0.00456507 0.04001528 -0.04783641 -0.04340009 0.00898315 -0.00165802 -0.00593859 +H 6.33536046 8.38727401 6.01285639 0.00809544 -0.01387219 -0.00061415 0.03045940 0.05838584 0.03284267 -0.00565858 -0.00137184 0.00769727 +O 7.65002418 5.67721253 5.69320923 -0.00173166 0.00764304 0.00411360 -0.01464421 0.03833381 0.03151849 -0.00149923 -0.00051132 0.00402817 +C 8.73468231 7.73170749 5.98928003 -0.00235599 -0.00043635 0.00346754 -0.01344481 0.01651831 0.01946719 -0.00358229 0.00347432 -0.00141554 +H 9.24876163 7.66478772 5.04451094 0.00736182 0.00273988 -0.01212796 -0.01614039 0.00493275 0.02209190 -0.00999806 -0.00050891 0.01892095 +H 8.51371129 8.79892421 6.14194658 -0.00187684 0.01296553 -0.00648384 -0.03411235 -0.01637921 -0.04006602 -0.00958040 -0.00247803 0.00080963 +H 9.51157884 7.48647768 6.79428593 0.00994119 -0.00028946 0.00157805 -0.10681824 -0.05579169 -0.05776207 -0.00863407 -0.02083373 0.01387983 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00777776 5.78082632 5.62444897 -0.00116253 -0.00177485 -0.00337196 -0.01038199 -0.01720873 -0.02078293 -0.00130582 -0.00325283 -0.00278612 +C 2.29793169 6.07419523 5.91615686 -0.00390741 0.00666055 -0.00076278 -0.02237545 0.04285436 -0.03324493 -0.00195225 0.00319844 -0.00854189 +H 0.35797632 6.43489418 5.94307003 0.00545544 -0.01235805 0.00022077 -0.00164388 -0.04524385 0.01729831 -0.01458366 0.00631089 0.00786271 +C 2.60988963 7.40662710 6.34580908 -0.01083473 -0.00365747 0.00234617 -0.02277104 -0.01729665 0.04059463 0.00419940 -0.00068580 0.00869343 +H 3.05194217 4.28296615 5.01099859 0.01069264 -0.00596421 0.00008520 0.06503932 -0.07486793 0.01499499 0.00905146 0.01565967 0.01998608 +C 4.00936967 7.77936358 6.53137032 0.00004618 -0.00756838 0.00575441 -0.03729984 -0.03808795 0.03509571 -0.01074031 -0.00638994 0.00275450 +H 1.83834209 8.11823634 6.62918104 -0.00210317 0.01079148 0.00663299 -0.00227863 0.00893639 -0.02534793 -0.00312193 -0.00562940 -0.00978267 +C 5.02242427 6.87392932 6.23675535 0.00423564 0.00970112 -0.00225189 0.00922057 0.01879930 -0.04408330 -0.00250399 -0.00435539 -0.00958619 +H 4.37689102 8.79562676 6.85546005 0.01410373 0.00466589 -0.00976278 -0.12555961 -0.08213282 -0.05631630 -0.03330219 0.01225128 0.00867698 +C 4.64296051 5.58663595 5.73300968 0.00311559 -0.00368183 -0.00219510 0.02823029 -0.01237908 -0.01917659 0.00521246 0.00007867 -0.00329073 +N 6.32485232 7.35821568 6.20863422 -0.00454328 0.00833434 -0.00172886 0.00108598 0.05068260 -0.00986815 0.00765455 0.00806427 -0.00033861 +C 3.30918693 5.18843065 5.46620136 -0.00047433 -0.00429203 0.00165392 -0.00173567 0.00385146 0.04122763 0.00008221 0.00302823 0.00827765 +H 5.38758504 4.90028210 5.43077243 0.00237446 -0.00329906 -0.00454729 0.04094928 -0.04861703 -0.03486157 -0.00479380 0.00143108 0.00003999 +C 7.49625125 6.87481756 5.77015289 0.00934921 -0.00090108 0.00123476 0.03594451 0.00571534 0.01714405 -0.00207528 0.00253358 0.00377408 +H 6.38072341 8.26415186 6.60953915 0.02432244 -0.02160676 -0.00553096 0.14992781 0.06720891 0.04888271 0.00288334 0.00704062 0.00349465 +O 7.58685015 5.78226252 5.22764321 -0.00949764 0.00012879 0.00309867 -0.05188465 -0.00201782 0.01836735 -0.00470269 -0.00057834 0.00218467 +C 8.74404841 7.78249063 6.00386009 0.01043383 -0.00074803 -0.00293667 0.04317980 -0.02991460 -0.01617889 0.00445057 -0.00613681 -0.00172162 +H 9.48311382 7.19654829 6.55778278 0.01156895 0.01154597 -0.01858472 0.12648724 0.05903401 -0.02625257 0.01770518 0.00045807 0.00646659 +H 9.18357033 8.03738037 5.03042816 0.00156600 -0.01779357 0.02572765 0.07522744 -0.00904147 -0.02560418 0.01247635 0.00931884 -0.02411349 +H 8.34869774 8.64566747 6.53861850 0.02179128 -0.00220047 0.00024636 0.25906833 0.04087401 0.00793411 0.04233145 0.00591986 -0.00266008 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00984426 5.68717347 5.91387803 0.00001086 -0.00174447 0.00052726 0.01355523 -0.00007451 0.00501817 0.00197346 -0.00183143 0.00071516 +C 2.32844898 6.13835341 5.87789919 -0.00488108 -0.00293529 0.00114234 -0.05081988 -0.02286183 0.01057764 -0.00529738 -0.00245214 0.00132802 +H 1.08451166 4.78541848 5.77916702 0.01337108 0.01259380 0.01096744 -0.03003271 -0.05363811 0.05437786 -0.02286454 0.01928656 0.00973992 +C 2.65588471 7.45809582 6.24093337 0.00507676 0.00048303 -0.00007044 -0.00827446 0.00430441 0.00771855 -0.00409097 -0.00197520 0.00119462 +H 3.02651473 4.18421306 5.24748182 0.02760182 0.01361274 -0.00058215 0.14939781 -0.05786823 -0.07392083 0.00624015 -0.02257254 -0.01687413 +C 3.96028305 7.86127588 6.30497633 0.00149052 0.00800759 -0.00031192 0.02261959 0.06267110 0.00150259 0.00450541 0.00367807 -0.00051458 +H 1.87492716 8.19848432 6.55138765 -0.00858646 0.00437194 0.01730483 0.02955208 -0.10127300 0.01968004 -0.01462766 -0.00125789 0.00190189 +C 4.97806378 6.97661014 6.03003207 -0.00315344 -0.00560491 0.00031970 0.02124832 -0.03407735 -0.00247079 0.00719248 0.00072085 0.00030885 +H 4.14336781 8.93539178 6.57360473 0.00372369 0.00397896 0.00715698 0.06408776 -0.03116535 0.07540520 0.01810247 0.01878279 0.02027669 +C 4.65028450 5.67619449 5.55250031 -0.00234805 0.00943060 0.00044919 -0.04322041 0.01623226 -0.00886807 -0.00717045 -0.00840127 -0.00391791 +N 6.31900828 7.35002564 6.22231827 0.00742429 0.00085339 0.00018069 0.02384154 0.00875552 0.00027316 -0.00068656 0.00189531 -0.00003468 +C 3.30890360 5.21716399 5.52976832 -0.00791565 -0.00970130 -0.00683929 -0.02520397 -0.02103250 -0.03829006 0.00046519 0.00429069 -0.00381047 +H 5.31706825 4.98638467 5.18989122 -0.01667190 -0.02545290 -0.00176229 0.01129965 -0.06015303 0.07558284 -0.00314755 0.03211016 0.02913618 +C 7.50761744 6.82540522 5.86709108 0.00202457 -0.00737358 -0.00550391 -0.01201634 -0.01628778 -0.01967222 -0.00400049 0.00391110 0.00074822 +H 6.32038055 8.19425412 6.73508836 0.00509044 0.00689450 -0.01157218 0.14866940 0.08086905 -0.08134694 0.02771154 -0.00276750 -0.01933845 +O 7.61895950 5.80064638 5.26800725 -0.00114399 0.00133733 0.00320623 -0.00122149 -0.02394679 0.00515140 0.00079380 -0.00833078 -0.00183985 +C 8.69361654 7.65889372 6.14004456 -0.00184177 0.00180174 0.00522688 -0.00822137 0.03365064 0.03641408 0.00304217 0.00570578 0.00333108 +H 8.62050006 8.05031235 7.16253816 -0.00408756 0.02748935 -0.00290811 0.05003961 0.11578528 -0.00868476 0.01204158 0.00873617 0.00513712 +H 9.59828985 7.17350445 5.91355485 0.00977240 0.03526746 -0.00928642 0.11262969 0.15549661 -0.00140865 -0.00976246 0.01180149 0.01974122 +H 8.53310225 8.55244324 5.50517686 0.02220858 -0.01394354 -0.00450899 0.17519607 -0.05773340 -0.06893825 0.01572144 0.00556621 -0.01551401 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03552890 5.77057023 5.74407438 0.00477156 -0.00610665 -0.00264981 0.01466982 -0.05240967 -0.01622285 -0.00078259 -0.00562532 -0.00159055 +C 2.32147909 6.12172843 5.86619864 -0.00636882 0.00098128 -0.00129768 -0.01239925 0.03321226 0.00528800 0.00222388 0.00529655 0.00217460 +H 0.96617365 4.80252479 5.65629081 -0.00119933 -0.01503247 -0.01230331 -0.02350582 -0.00073465 -0.09294077 -0.00484473 -0.02533696 -0.01897271 +C 2.65390022 7.46437668 6.31504150 0.00228558 -0.00051712 0.00719703 -0.01292311 -0.03350242 0.03126357 -0.00302539 -0.00719310 0.00049685 +H 3.08791045 4.24563523 5.13658079 -0.01998099 -0.00625241 -0.00702721 -0.06974985 0.00231935 0.01311447 0.00276086 0.01450959 0.01143311 +C 3.97663562 7.89551535 6.23635025 0.00025420 0.00512972 -0.00044998 -0.00842788 0.01129152 0.00583080 -0.00179265 -0.00293782 0.00233779 +H 1.81816777 8.09937453 6.71654027 -0.00949714 0.00233323 -0.01790411 0.04417948 0.02652841 -0.20060878 -0.00432313 0.02025951 -0.02208000 +C 4.97878042 6.93493902 5.98240591 -0.00040354 -0.00271668 0.00126806 0.02046153 0.01121110 0.01880198 0.00468017 0.00674626 0.00426619 +H 4.10566112 8.95622858 6.46764853 -0.00762013 -0.00835600 -0.00922004 0.08909100 0.00727377 -0.01529397 0.02467491 0.00842652 0.00338795 +C 4.66838578 5.61534493 5.61809574 -0.00293240 0.00683868 0.00452588 -0.03080026 0.01054029 0.01413129 -0.00496420 -0.00310975 -0.00066572 +N 6.28811236 7.38919855 6.07864272 0.00424165 0.00593125 0.00229761 0.01561372 0.06658433 0.00585134 0.00071015 0.01114457 -0.00105884 +C 3.33405300 5.20259571 5.52745313 -0.00516322 0.00138859 -0.00119029 -0.04281509 0.02170263 -0.01073821 -0.00627279 0.00437982 -0.00161287 +H 5.34764883 4.85119531 5.31607171 -0.00476762 -0.01130265 -0.02052137 0.01615759 0.08279659 -0.02834827 0.00606856 0.02832045 0.01268783 +C 7.48666736 6.84792815 5.98327468 0.00223195 0.00102971 -0.00135560 0.01307079 -0.01528383 -0.02303268 0.00183513 -0.00539062 -0.00515313 +H 6.32208180 8.38540694 6.05064662 -0.00738839 0.01135737 -0.01594962 -0.00330230 0.06816210 -0.03702241 0.00819983 0.00707120 0.00609235 +O 7.59010321 5.66071455 5.87922749 -0.00208769 -0.00822910 0.00243782 -0.00332499 -0.06604152 0.02004779 0.00092072 -0.00897289 0.00328808 +C 8.69232929 7.73556011 5.77853444 0.00594858 0.00099669 -0.00223045 0.05274668 0.01062107 -0.01355171 0.00288543 0.00346418 -0.00471004 +H 8.32785956 8.63623918 5.38285339 -0.01426843 -0.02560982 -0.01137732 -0.09285300 0.01682311 -0.06214704 0.00628765 0.00172131 0.01194224 +H 9.26660621 7.98640285 6.72746091 -0.00647802 0.00507288 0.02479486 -0.12606497 -0.02244854 -0.02323983 -0.00320403 0.00167978 0.00305801 +H 9.39392062 7.38079717 4.99828519 0.01908238 0.03644469 -0.03611321 0.02027448 0.18078283 -0.02908919 0.00511049 0.00522846 0.01437540 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03930970 5.65368392 6.00278589 0.00229555 -0.00115602 -0.00513953 0.01561829 -0.00178041 -0.04794857 0.00247420 0.00062431 -0.01103277 +C 2.32172784 6.03761140 5.67240688 -0.00047233 0.00503799 -0.00226597 0.00797917 0.02911594 0.04420667 0.00130630 0.00246295 0.01297788 +H 0.88390120 5.64545568 6.96629533 -0.00735475 0.01067909 0.00865539 -0.03624824 0.05308962 -0.10609697 -0.01254140 0.00491754 0.00833985 +C 2.85320011 6.47998736 4.44028925 -0.00023545 -0.00831329 0.00775240 -0.00704419 -0.04768278 0.01801688 0.00103512 -0.00412793 -0.00097612 +H 2.77587421 5.88683055 7.78698537 0.00135880 0.02402611 -0.00021329 -0.06061581 0.07744479 0.09337684 -0.01124483 -0.00378991 0.00551585 +C 4.19672356 6.92522811 4.35526753 0.00308471 0.00244557 -0.00532310 0.01841696 0.01141126 0.00275062 -0.00025498 0.00018730 0.00495868 +H 2.21779288 6.51054885 3.57294762 -0.02778983 -0.00695059 -0.00699414 -0.05070901 -0.05523867 0.09338539 0.00585174 -0.00988449 0.01728776 +C 5.03750910 6.84755991 5.52758945 -0.00201045 0.00956357 0.00028882 -0.00883900 0.05421425 0.00277336 0.00065019 0.00548837 0.00027273 +H 4.61920066 7.39765440 3.47277762 0.00255380 0.00395022 0.00818920 -0.01880806 -0.04244082 -0.05664900 -0.00732206 -0.01659367 -0.01607132 +C 4.49166734 6.41032824 6.76931546 -0.00115150 -0.00618343 -0.00144847 0.00391478 -0.01388248 -0.02456094 -0.00207693 0.00118820 -0.00644951 +N 6.38110699 7.24589283 5.46685212 0.00396831 0.00023283 -0.00395097 0.01193400 0.00401680 -0.01277430 0.00091781 0.00360822 -0.00176237 +C 3.16513391 6.10617405 6.81861398 -0.00397868 -0.00361169 0.00699655 -0.04247050 -0.03007193 0.03404998 -0.00538155 -0.00360692 0.00460564 +H 5.09605822 6.53092493 7.70526487 -0.00766115 0.00081354 0.00476332 -0.11961451 -0.09835125 -0.02108778 0.00169490 -0.02249712 0.01323067 +C 7.40217060 7.01848994 6.31940671 -0.00170518 0.00846071 0.00525464 0.00069935 0.03620149 0.01676742 0.00099856 0.00014283 0.00076296 +H 6.53976220 7.78937949 4.65222268 0.00433388 -0.00241982 0.03720816 0.16289872 0.10862728 0.01218039 0.02111021 0.00191563 0.00103142 +O 7.31465765 6.34905365 7.32935292 0.00191249 -0.00230529 0.00255206 0.01266581 -0.01249040 0.02206420 0.00155148 -0.00041650 0.00292621 +C 8.81639896 7.46655528 5.90370867 -0.00173190 -0.00633186 -0.00341715 -0.02001647 -0.02554558 -0.02367036 -0.00367387 -0.00138719 -0.00202937 +H 8.98294280 7.65249628 4.79519388 0.00680912 0.01821926 -0.00044424 -0.04962933 0.05394145 0.07687771 -0.02010439 0.00098520 -0.01643681 +H 8.93646851 8.40826193 6.47267987 0.00725734 0.00682400 -0.02016799 0.13531392 -0.03191247 -0.14515610 0.03062677 -0.00647986 -0.00637103 +H 9.53398390 6.71380584 6.28194417 -0.00372287 -0.01616003 -0.02841779 -0.01302458 -0.05843162 -0.19655765 0.00342106 -0.00615290 -0.02165316 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03886435 5.60543422 5.78363646 -0.00569162 0.00274530 0.00535827 -0.03276597 0.01574675 0.05113983 -0.00355355 0.00164186 0.00745310 +C 2.35027320 5.90407701 6.01482005 -0.00021482 -0.00438465 -0.00162780 -0.01698885 -0.02330228 -0.06091290 -0.00492396 -0.00239087 -0.01170266 +H 0.80675618 5.62912882 4.84954166 0.01857830 -0.00757824 0.02047041 0.05311090 -0.06390715 0.02152162 -0.00657135 -0.01066113 0.00219467 +C 2.87862181 5.92730111 7.30067781 -0.00005931 0.00183651 -0.00889951 0.03621652 0.02300150 -0.07945287 0.01014056 0.00402591 -0.01241320 +H 2.55302851 6.45496424 3.90081807 -0.00143224 -0.00857248 0.00592813 0.02208916 -0.09970225 -0.03673049 0.01214273 -0.01784245 -0.00268422 +C 4.20915239 6.41692524 7.36629930 0.00638857 -0.00137392 -0.00981128 0.04378741 -0.02060022 -0.03416788 0.00364713 -0.00450697 -0.00294482 +H 2.28140033 5.59916917 8.16010985 0.02659163 -0.00109723 -0.01715518 0.11423849 0.02493666 -0.02331989 0.00279638 0.00937012 0.00495254 +C 5.04756802 6.72257385 6.22539386 0.00070051 -0.00051951 0.00059850 -0.00208649 -0.00168981 0.01573838 -0.00036986 0.00045479 0.00187864 +H 4.58606978 6.47479782 8.42437065 0.00155674 0.01115889 0.00871353 0.04835334 0.04300467 -0.14717164 0.02650508 0.00108942 -0.00182924 +C 4.41657895 6.72955129 4.95695413 -0.00638635 -0.00157528 0.00716971 -0.02956018 0.00800674 0.03536005 -0.00370409 0.00118716 0.00798514 +N 6.40755737 7.02118168 6.48012476 -0.00021593 0.00211793 -0.00258356 -0.00098957 0.01905281 -0.02298242 0.00008948 0.00327967 -0.00439238 +C 3.08351049 6.30952971 4.82187373 -0.00164865 -0.00169697 -0.00180619 -0.02534546 -0.01204205 0.02644182 -0.00496351 -0.00123241 0.00480046 +H 4.87553229 7.24014574 4.02608781 0.01146689 0.01697543 0.01490187 0.05398611 -0.07934556 0.21362991 0.02682592 -0.00956145 -0.01391606 +C 7.42557447 7.24336533 5.60958964 0.00343127 0.00116683 0.00204541 0.02713741 -0.00863581 0.01741004 0.00212203 -0.00317799 0.00182696 +H 6.67442522 7.01486473 7.47646954 0.00777430 0.02119709 -0.00878940 0.03586536 0.10779051 -0.06602762 0.00339120 0.00824577 0.00846987 +O 7.28087463 7.38558716 4.39471603 0.00290857 -0.00122218 0.00301185 0.02179429 -0.00799824 0.02293715 0.00354464 -0.00111885 0.00338174 +C 8.89499041 7.18874761 6.18995606 -0.00560063 0.00043816 0.00460148 -0.04104110 0.01447603 0.01500771 -0.00511614 0.00616364 0.00063543 +H 9.36845559 8.01546886 5.73931710 0.01265895 0.00868878 -0.02305674 0.04406925 -0.02218981 -0.02270689 -0.01039130 -0.02016145 0.02806813 +H 8.87744593 7.39796704 7.25007598 -0.00529553 -0.02116306 0.01634281 0.00233945 -0.16607431 0.05164864 0.00541034 -0.02180022 -0.00985344 +H 9.50049425 6.26947717 5.94364635 0.01566076 -0.00042373 -0.02220139 -0.09225720 0.11542603 -0.07777433 -0.02346448 0.00121170 -0.00796638 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02270146 5.77110244 5.78858221 0.00051905 0.00083628 -0.00713230 -0.00012678 -0.00055450 -0.05243384 0.00117482 -0.00133465 -0.00543570 +C 2.35591991 5.92938282 5.89410798 0.00378960 0.00568066 0.00262573 0.02044071 0.04665112 0.04521964 0.00041717 0.00640034 0.00984720 +H 0.67058415 5.95028786 4.89297731 -0.00945280 0.02067421 -0.00470760 -0.01828844 0.15394294 0.03712715 -0.00685847 0.03173509 -0.01589061 +C 3.02460131 5.52691456 7.09535692 0.00701288 0.00367865 0.00268152 0.00775150 -0.00319344 0.01731391 -0.00426606 -0.00215812 0.00051373 +H 2.58996549 7.14336511 4.01655948 0.00380174 -0.02293308 -0.00539697 -0.00930285 -0.19681177 0.06882269 -0.01155625 -0.01946724 0.00332206 +C 4.38304665 5.79867976 7.31348935 -0.00356515 -0.00317108 0.00181111 -0.01286383 -0.01784692 0.00195370 0.00233628 -0.00190446 -0.00088909 +H 2.50776789 4.86806885 7.80495002 -0.01510073 -0.01176333 0.02243212 -0.00510694 0.14388826 0.01857777 -0.00351876 0.02844175 0.00672557 +C 5.06318766 6.47383138 6.31427350 -0.00052795 -0.00862569 -0.00949964 0.01541861 -0.03932891 -0.08629659 0.00534751 -0.00429281 -0.00910679 +H 4.89579284 5.45990473 8.15590668 -0.01686375 -0.00563017 0.01199944 -0.10053975 -0.02955819 0.11599389 -0.01801653 0.00875585 -0.00777789 +C 4.41707444 6.84394642 5.09388887 0.00443012 0.00337855 0.00204461 0.01194237 0.03542483 0.01204147 0.00031070 0.00832055 -0.00349171 +N 6.40325712 6.81160800 6.42161330 -0.00214849 -0.00301233 0.00004232 0.00354860 -0.02954761 0.01727153 0.00305052 -0.00516844 0.00562113 +C 3.02438925 6.70689269 4.93639195 0.00469958 -0.00311168 0.00919426 0.04933101 -0.02821175 0.04472706 0.00856979 -0.00527568 0.00445894 +H 4.91939619 7.35871967 4.37211715 -0.00258315 0.00960615 -0.01693618 -0.03013080 0.04274140 -0.10945708 -0.01976484 -0.01530750 0.01697359 +C 7.38300631 7.36682268 5.65330392 -0.00575155 0.00169241 0.00630281 -0.05335392 0.01507438 0.00259768 -0.00699820 0.00174788 -0.00386747 +H 6.77345165 6.43136583 7.26333446 -0.01195695 0.02804172 -0.00426131 -0.00312057 0.14248130 0.12713525 -0.00103488 0.01624801 0.01397848 +O 7.14651021 7.84338898 4.52778827 -0.00224877 -0.00081175 -0.00102671 -0.01059527 -0.00749527 0.00720539 -0.00145255 -0.00107364 0.00240801 +C 8.83197406 7.29700613 6.11514917 -0.00160026 0.00074408 -0.00485234 -0.01940250 0.01392059 -0.01552834 -0.00552227 0.00065223 0.00236832 +H 8.85982272 7.82603722 7.06481617 0.02729219 0.00520011 0.00119387 0.19428913 -0.00240657 -0.04330976 0.02077382 0.00095771 -0.01356606 +H 9.03672114 6.25386760 6.22573378 0.00054131 0.00632567 0.01589059 0.08081013 0.01306967 0.09903923 0.01491961 0.01435063 0.00140876 +H 9.61737027 7.76112677 5.42871234 -0.01950073 0.00877989 -0.01412964 -0.21728590 0.00302581 -0.09855058 -0.01524822 0.00274504 -0.03324049 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00035979 5.62979905 5.84150896 -0.00193332 0.00214922 -0.00527042 -0.00958333 0.00973927 -0.03873734 -0.00079082 0.00000630 -0.00589860 +C 2.33413738 5.94947106 5.79173427 0.00358274 -0.00800085 0.00857042 -0.01292485 -0.03993656 0.06297852 -0.00597847 -0.00264336 0.00778600 +H 0.42396421 6.11088719 6.46738182 -0.01378879 0.00491457 -0.03442773 -0.05461430 0.09312030 -0.18555798 -0.00770334 0.02744735 -0.01089121 +C 3.06359005 5.45945489 4.74160755 -0.00064369 0.00738316 0.00027453 0.00580102 0.03141025 0.00729818 0.00306619 0.00160667 0.00305375 +H 2.22294098 7.22840423 7.47865548 0.00811657 -0.01101505 0.00877155 0.10260515 -0.03653339 0.15065956 0.01715513 0.00221110 0.02305540 +C 4.41570610 5.74855526 4.66594965 -0.00401142 0.00130926 0.00014882 0.00467693 0.01659238 -0.03161849 0.00591022 0.00444750 -0.00574663 +H 2.57568308 4.77219194 4.00709343 0.04451713 -0.01555878 0.02696681 0.19908808 -0.09731151 0.08564015 -0.00328988 -0.01807967 -0.01192927 +C 5.10793746 6.57204023 5.54941336 0.00468259 -0.00247299 0.00151891 0.02293870 -0.01272553 0.03461818 0.00063066 -0.00215635 0.00615461 +H 4.90229249 5.41106652 3.75386626 0.01432527 -0.01113859 0.00441494 0.08657783 -0.11656866 0.11308834 0.01161555 -0.02271673 0.01300189 +C 4.30369692 7.06972197 6.64725775 0.00094079 -0.00065546 0.00324187 0.00928341 -0.00994069 0.01758046 0.00099161 -0.00183931 0.00003096 +N 6.51555928 6.76751529 5.36062239 0.00717997 -0.00051136 -0.00154941 0.01531428 -0.00160839 0.00089022 -0.00032343 -0.00047196 0.00041284 +C 2.90063213 6.80762752 6.73755872 -0.00617370 0.00438554 0.00393839 -0.01319980 0.02282166 0.01899125 0.00328067 0.00141775 0.00271341 +H 4.75169673 7.56402767 7.53602631 0.00888839 0.00859069 -0.01736575 0.05133184 0.14414872 -0.16166347 0.00686909 0.03423413 -0.00964688 +C 7.37680818 7.34009989 6.21481382 0.00368309 -0.00303078 -0.00547559 0.04788431 -0.01877501 -0.01825492 0.00528424 -0.00211784 0.00239409 +H 6.85538361 6.38981590 4.50841732 0.01740218 0.00467320 0.01298851 0.15918925 0.01729813 0.01455114 0.00659665 0.00663262 0.00995781 +O 7.17777625 7.71673148 7.36256456 -0.00563013 -0.00118057 -0.00128359 -0.04854411 -0.00798405 -0.01810104 -0.00710363 -0.00130186 -0.00458940 +C 8.87520035 7.36557286 5.80863673 -0.00608494 0.00187416 -0.00463787 -0.04839333 -0.00050887 -0.01539496 -0.00582799 -0.00073591 -0.00158360 +H 9.36619989 8.29530469 6.17744011 -0.00549007 -0.02436911 0.02113854 -0.03597823 -0.10731241 0.12037139 -0.00244962 0.00642374 0.01326678 +H 9.25841845 6.49111273 6.38272279 0.00793675 -0.00080919 0.00836883 0.08077334 0.07441171 -0.12400660 0.01875728 -0.00272066 -0.03369623 +H 9.05102981 7.26023859 4.73267646 -0.01367720 0.02700594 0.00438507 -0.07062270 0.15505421 -0.03126714 -0.00542113 0.01776941 -0.00877244 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01540134 5.79682816 5.89814540 0.00013069 0.00323002 -0.00031753 -0.01086894 0.01889869 0.00015053 -0.00197706 0.00186128 0.00121704 +C 2.31730775 5.99307059 6.01427202 0.00203202 -0.00243821 -0.00333114 0.02634509 -0.02392807 -0.00785875 0.00378478 -0.00433916 0.00118116 +H 0.75882201 6.16414583 5.02998443 0.02019032 0.00373554 0.00170877 0.02308969 0.00666913 0.00454754 -0.01894255 0.00505479 -0.01652011 +C 3.03405484 5.65522343 7.20689387 -0.00310200 -0.00009945 0.00540501 -0.01903185 0.01624971 0.00386110 -0.00130635 0.00472273 -0.00411297 +H 2.34438335 6.63078466 3.92535572 0.01168487 -0.01569623 -0.01697730 0.19514433 -0.05222967 0.02672132 0.02046690 0.00376398 -0.00104537 +C 4.42145840 5.96918985 7.21542825 0.00004300 0.00183192 -0.00509561 -0.01467999 -0.02908680 0.00894689 -0.00539615 -0.00716570 0.00200856 +H 2.51008438 5.15934872 8.03233910 -0.01253157 0.00695182 0.00605860 -0.01799588 0.11335004 0.03189376 0.00115617 0.02035389 0.00879201 +C 5.06608046 6.45015478 6.09601530 0.00206364 -0.00327418 -0.00697299 0.02078075 -0.01144582 -0.03655878 0.00314488 -0.00086297 -0.00075470 +H 4.98243450 5.61405159 8.10694918 0.00371151 -0.00530788 0.03969516 -0.09230787 0.15749979 -0.01155483 -0.00381311 0.03092717 -0.00060254 +C 4.33674974 6.68397312 4.92005503 0.00068756 0.00682703 0.00406160 0.01157517 0.06719202 -0.01163833 0.00186396 0.01016964 -0.00558516 +N 6.41282782 6.70736268 6.27179271 -0.00249007 -0.00956692 0.00318898 0.01793537 -0.05884937 0.02005567 0.00617821 -0.00603606 0.00056821 +C 2.93968191 6.48149683 4.85057647 0.00883637 -0.00093869 0.00461866 0.06165977 -0.01328725 0.03070145 0.00921033 -0.00293183 0.00533514 +H 4.85880753 7.13812921 4.07145204 -0.02584279 0.00140010 -0.04421517 -0.18135019 -0.08935083 -0.10505590 -0.00391235 -0.01058736 -0.00188664 +C 7.42038745 7.38415881 5.66226618 -0.00421599 0.00889010 0.00007720 -0.05559241 0.03144054 0.01966350 -0.00899171 -0.00090039 0.00613774 +H 6.81412002 6.24992514 7.09549585 0.00927638 -0.02033685 -0.00491324 -0.02201804 -0.11972113 -0.03002609 -0.00567632 -0.02068285 0.01015450 +O 7.30725806 7.97260294 4.59993728 -0.00310871 -0.00392113 0.00220154 -0.02734125 -0.01701799 0.00438004 -0.00523360 -0.00062985 -0.00125044 +C 8.76093056 7.27150380 6.34207650 -0.00049227 0.00418666 -0.00408130 -0.00347373 0.03205736 -0.02325869 0.00006807 0.00379218 -0.00639421 +H 9.16575083 6.41747233 5.84776803 -0.00250870 0.00128671 0.00305925 0.09927613 -0.00089652 0.03795284 0.01584224 0.01380367 0.01275966 +H 9.31812527 8.18448816 6.12830348 0.01042576 -0.00296209 0.00639655 0.10279951 -0.02882735 0.01309005 0.01272084 -0.00287772 -0.00105931 +H 8.77088499 7.13583558 7.47581825 -0.00227197 -0.00371989 -0.00165490 -0.07806228 -0.02304850 -0.12583163 -0.01757906 -0.00502914 0.00807122 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01722973 5.84051028 5.60738816 -0.00421382 0.00781490 -0.00049528 -0.03697469 0.04517960 0.00843659 -0.00591563 0.00610305 0.00226934 +C 2.29574080 6.18373732 5.89349646 -0.00390239 0.00287118 0.00189042 -0.02325653 -0.02810759 0.00350445 -0.00114128 -0.01013299 -0.00108075 +H 0.77400090 5.06380115 6.06828816 -0.00195873 -0.01749273 0.00544003 -0.00612611 0.01536372 -0.08933348 -0.00763356 -0.00143279 -0.01963660 +C 2.66942413 7.47599875 5.99204336 -0.00471716 -0.00189366 0.00068182 -0.03028113 0.02198863 -0.00504742 -0.00399406 0.00590966 -0.00154286 +H 2.93084116 4.15017581 5.68791897 0.00039039 -0.03714323 -0.00563562 0.10467464 -0.03319938 0.08199075 0.01475350 -0.00884597 0.01846918 +C 4.00697973 7.83001000 6.09841642 -0.00439874 0.00034173 -0.00415404 -0.02787033 -0.00628487 -0.01922222 -0.00259266 0.00108209 -0.00110330 +H 1.93323921 8.24887624 5.78131454 0.01152596 -0.00210240 0.01009005 -0.02599013 0.05853696 0.15123082 -0.01868339 0.01576064 0.02812904 +C 4.97863997 6.80463488 6.10029550 -0.00099279 0.00730955 -0.00063233 0.02080119 0.06970041 -0.01206125 0.00419139 0.00672670 -0.00318899 +H 4.26202949 8.86043892 6.16580924 -0.00134241 -0.00959887 0.00611815 -0.00064235 0.02128538 0.00271952 -0.00616950 -0.00192248 -0.00675032 +C 4.63100649 5.47952851 5.97453415 0.00587540 -0.00222773 0.00017410 0.02378786 -0.01777509 0.01381337 0.00160087 0.00062935 0.00309247 +N 6.28213378 7.34439463 6.11730062 0.00162726 0.00226214 -0.00172215 -0.00128215 0.01337698 -0.00299284 0.00110593 0.00591697 0.00228412 +C 3.26302806 5.18100700 5.90941603 0.00381195 -0.00766941 0.00038403 0.01287516 -0.07215661 -0.01166887 0.00063347 -0.00779274 -0.00248594 +H 5.31417919 4.62640552 6.03414235 0.00391035 0.01181992 -0.00434088 0.14031689 0.08225570 -0.09584011 0.02868702 0.00731878 -0.01788683 +C 7.47653051 6.89259243 5.86608338 0.00134748 0.00113537 0.00495084 0.03958966 -0.04333135 0.01641206 0.00719786 -0.01148225 -0.00004945 +H 6.32957073 8.30046799 6.26460681 0.01458120 -0.03400944 0.02480949 0.04368003 0.05219183 0.21971414 -0.00670882 -0.01251550 0.01702974 +O 7.70831388 5.71457856 5.54808203 0.00675560 -0.00572899 -0.00228666 0.03988803 -0.02532772 -0.00965264 0.00486568 -0.00188165 -0.00052459 +C 8.67892225 7.84702786 5.92543947 -0.00149593 -0.00069352 -0.00211706 -0.02671348 0.01474792 0.01020134 -0.00573826 0.00063607 0.00115393 +H 8.64217066 8.50713090 5.03260668 -0.01996606 -0.00160282 -0.01549249 -0.02559433 -0.08410262 0.00160268 0.00984911 -0.00912118 -0.00079793 +H 8.70782779 8.48042306 6.89998276 -0.00932997 0.01737555 0.01380399 -0.14390026 -0.00168136 -0.17151164 -0.03078092 0.02206929 -0.00433403 +H 9.59750839 7.23173543 6.02611354 -0.00747758 0.01806042 0.01925870 0.01703242 0.11783717 0.00879450 0.01610861 0.01133885 -0.01163511 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99765543 5.77616627 5.75386865 -0.00672146 -0.01067682 0.00277544 -0.04926253 -0.05796513 0.02008978 -0.00556262 -0.00829182 0.00233723 +C 2.26666266 6.18628184 5.84652587 -0.00565660 0.00686944 -0.00251524 0.00910212 -0.00173954 -0.01497336 0.00430473 -0.00637667 -0.00137322 +H 0.97296398 4.86318343 5.59377493 -0.00451445 0.01195114 -0.00206282 -0.07173838 -0.08962447 -0.04929725 -0.01321353 0.00950555 -0.00181729 +C 2.64302454 7.49132204 6.21534093 -0.01182846 0.00432500 0.00081261 -0.06815714 0.02352301 -0.00197355 -0.00393592 0.00284463 -0.00165051 +H 3.19332855 4.15157486 5.38431595 0.00047323 0.00193660 0.01485772 -0.09273199 0.03945793 0.12865691 -0.02081218 0.01147131 0.01679129 +C 4.00096953 7.80850358 6.32494088 0.00043031 0.00528923 0.00344541 0.00332294 0.03917193 0.01740169 -0.00458938 0.00666937 0.00130853 +H 1.84813901 8.20941988 6.39195184 -0.00748973 -0.00074042 -0.01887086 -0.05919991 0.06775766 -0.09619588 -0.00820673 0.01331819 -0.00667086 +C 5.06054934 6.87543166 6.09614629 0.00200245 0.00155969 0.00336480 -0.04690882 0.00382232 0.02896922 -0.01024677 -0.00067971 0.00463551 +H 4.33710599 8.79419972 6.56281355 -0.01770795 0.01274906 -0.01526896 -0.15199118 0.12252590 -0.05542927 -0.01679392 0.00535389 -0.00147512 +C 4.66358370 5.56097964 5.82422424 -0.00370947 -0.00195485 -0.00281288 0.01972384 -0.02183458 -0.01743109 0.00629202 -0.00101675 -0.00164644 +N 6.32549246 7.25968942 6.29149759 -0.00206931 -0.00153251 -0.00237725 0.02321574 0.02463399 -0.00425237 0.00533925 0.00740580 0.00078968 +C 3.32120649 5.18469880 5.68258982 0.00889471 0.00395283 -0.00162143 0.01569270 0.05277551 -0.01357234 -0.00469907 0.00890685 -0.00194479 +H 5.46014779 4.82248371 5.74694276 0.01988259 -0.02697186 -0.00139902 -0.08884674 -0.04351360 -0.03488908 -0.01775622 -0.00315073 -0.00954819 +C 7.47734606 6.87892263 5.79595627 0.00209422 -0.00095093 -0.00353261 0.00485389 -0.01940990 -0.02480176 0.00157895 -0.00239689 -0.00212897 +H 6.58523812 8.10140917 6.75408541 0.02019539 0.00184834 0.00560970 -0.10783659 0.00790163 0.07213397 -0.03940456 0.00133011 0.01303387 +O 7.56678879 5.89077248 5.10625377 0.00520200 0.00092927 0.00069530 0.04322139 -0.00856121 -0.00818312 0.00666896 -0.00391699 -0.00335247 +C 8.66258549 7.71767734 6.09181552 0.00923774 -0.00513470 0.00298969 0.06850866 -0.02199992 0.02017313 0.01038039 -0.00399406 0.00128344 +H 8.42213428 8.66340723 6.63770065 0.00554691 0.00810028 -0.00537131 0.07726463 -0.08794452 0.02093010 0.01191924 -0.01189832 0.02645395 +H 9.37934710 7.10613789 6.60241099 0.02534530 -0.01370255 -0.01557754 0.17014761 -0.01594451 -0.07563933 0.01155104 0.01463867 -0.00952408 +H 9.07097234 8.05328707 5.13412796 -0.00631535 0.01454663 0.01447609 0.02507162 0.06585575 0.03380911 0.01186671 0.00315227 -0.00403354 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96224118 5.91362546 5.75320869 0.00604048 -0.00055170 -0.00068833 0.01900396 -0.00673785 -0.00311966 0.00138612 0.00019031 0.00192152 +C 2.27708025 6.05295020 5.95479067 0.00301462 0.00266073 -0.00262116 0.04934635 0.01282104 -0.02126119 0.00687549 0.00115690 -0.00266857 +H 0.59533838 5.41718088 4.99389055 -0.01810083 -0.01221872 0.00614993 0.03831766 -0.05681221 0.07720319 0.01244007 -0.02702735 -0.01642798 +C 2.75872751 6.73263311 7.07985598 0.00159830 -0.00041617 0.00070385 -0.02012147 0.01703908 0.01394677 -0.00547603 0.00659949 0.00455584 +H 2.85728603 4.94992466 4.26255533 -0.02481749 -0.01879354 -0.00410034 -0.00360007 -0.04966969 -0.01599442 0.01982076 0.00379016 -0.00315073 +C 4.09391001 7.04526013 7.19295787 0.00130696 -0.00016086 0.00416483 0.03536102 0.02831098 0.02936872 0.00677666 0.00576028 0.00224283 +H 2.08763107 7.15182670 7.70978482 -0.02278809 0.02008215 0.02448742 -0.03872004 0.01023266 0.08828084 0.02761801 -0.02927964 -0.02001066 +C 5.01568025 6.72823739 6.21048163 0.00546135 -0.00504016 -0.00448552 0.05285618 -0.03404011 0.00186008 0.00543686 -0.00381203 0.00607344 +H 4.46542531 7.76135229 7.91872713 0.01264039 0.01116252 0.01389249 -0.04302111 -0.07325206 0.11238361 -0.01399549 -0.01992513 0.02431206 +C 4.63253955 5.85843368 5.18760562 -0.01094183 0.00075751 -0.00007700 -0.07892424 0.01317982 0.00384889 -0.00618908 0.00086556 -0.00189255 +N 6.37724847 7.10813797 6.46572229 0.00015275 -0.00264526 -0.00512850 0.00788964 -0.01715309 -0.04028708 0.00219695 -0.00218571 -0.00485054 +C 3.25051970 5.55694649 5.04752290 -0.00206609 -0.00014831 -0.00433097 -0.03973445 -0.01291119 -0.03708995 -0.00828930 -0.00301267 -0.00551316 +H 5.39395878 5.51266188 4.55010400 -0.02478209 0.00829570 0.03668233 -0.05032050 -0.10263866 -0.03563709 -0.02000847 -0.01736502 -0.01992015 +C 7.44449721 7.12150534 5.60714817 -0.00193645 0.00420491 0.00709403 -0.01236431 0.01840895 0.02817543 -0.00051264 0.00016727 -0.00223648 +H 6.64153904 7.45293018 7.35664928 0.03081182 0.00536657 0.00287887 0.02373600 -0.03921018 -0.04646717 -0.02459724 -0.01469696 -0.01142572 +O 7.39956911 6.88526986 4.40601923 0.00478551 -0.00018756 0.00084680 0.02827629 -0.00034035 0.01388049 0.00305791 0.00023760 0.00376411 +C 8.80749195 7.44168391 6.23036930 -0.00706432 -0.00105375 0.00220113 -0.03482353 0.01104817 0.00793557 -0.00339308 0.00491089 0.00112228 +H 8.79427920 8.39902641 6.69560505 -0.00691622 0.02646972 -0.02142360 -0.05077282 0.08154473 -0.09825814 -0.00315643 -0.01373950 -0.01050603 +H 9.09605603 6.65243692 6.93587575 0.00005274 0.01279346 -0.01105426 -0.02371348 0.05356321 0.06517736 -0.00802249 0.00680072 0.02683913 +H 9.66242475 7.49972924 5.55505207 0.00657974 -0.01424503 -0.01033020 -0.13520362 -0.11479483 -0.07681647 -0.03431230 -0.01553949 -0.01261206 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.88324297 5.67217337 5.84306012 0.00519890 -0.00461430 0.00364877 0.07342867 -0.00157223 0.03101753 0.01280118 0.00205392 0.00458473 +C 2.25740769 6.16760317 5.87033718 -0.00117318 0.00461192 0.00233003 -0.01179868 -0.03034557 -0.00115255 0.00123009 -0.00865899 -0.00188244 +H 0.76986958 4.79933016 5.46382402 -0.00840061 0.02279080 0.00016848 -0.02385557 0.03518365 -0.05416759 0.00868092 0.00731053 -0.00541042 +C 2.59332926 7.44731768 6.29014010 0.00177473 -0.00163620 -0.00416626 0.03753928 0.01756281 -0.01248518 0.00583891 0.00357784 0.00042399 +H 3.22130503 4.24412934 5.17735929 0.01211358 0.00808209 0.00353325 -0.04703204 0.03273209 0.03687254 -0.02314438 -0.00573798 0.00438411 +C 3.98857235 7.88829820 6.40038011 0.00449307 -0.00389461 0.00091797 0.01275167 -0.07115220 -0.01104816 -0.00018670 -0.00995575 -0.00250731 +H 1.79889471 8.10174496 6.56829101 0.00762272 0.00203471 0.00915847 0.05727213 0.03683833 0.06526173 0.01619461 0.00331441 0.00347990 +C 5.02280014 6.95391967 5.98909053 0.00169449 -0.00333068 -0.00399875 0.00308806 -0.00790406 -0.01843625 -0.00052335 0.00065169 -0.00136781 +H 4.31493484 8.78478049 6.82014015 -0.00643924 -0.00179120 -0.00477196 -0.10887175 0.06179018 -0.04782878 -0.02452556 -0.02055920 -0.02069648 +C 4.69669451 5.64377868 5.53581862 -0.00044252 0.00392629 -0.00555715 -0.00970891 0.04362219 -0.02555750 -0.00177307 0.00559929 -0.00175683 +N 6.33508550 7.41430715 6.06742017 0.00025472 -0.00356227 -0.00016950 -0.02103595 -0.02000326 -0.00818569 -0.00607992 -0.00080515 -0.00203808 +C 3.35479092 5.27546787 5.51833685 0.00234825 0.00342532 -0.00206368 -0.01741196 0.02867694 -0.01601614 -0.00643376 0.00404837 -0.00267429 +H 5.42872551 4.92661535 5.21462793 -0.00447520 0.00257179 0.02994261 0.02479388 -0.01657008 0.14689210 -0.00143468 0.00359653 0.00824378 +C 7.49552319 6.81036477 5.80869691 -0.00552830 0.00257022 0.00232336 -0.00864119 0.02999645 0.03898354 0.00300648 0.00424188 0.00773571 +H 6.39866902 8.39559682 6.33326812 -0.02508811 -0.00542334 -0.02420572 -0.08415204 0.00445675 -0.14811564 0.00350678 0.00819592 -0.01469010 +O 7.69988091 5.61943254 5.64299823 -0.00750007 0.00272070 0.00144461 -0.05441332 0.01563143 0.00410391 -0.00764043 0.00227079 -0.00003812 +C 8.67908693 7.77216122 5.98895495 0.00116881 -0.00115546 0.00456407 0.01507698 0.00382470 0.00385486 0.00019918 0.00249504 0.00294672 +H 8.64439590 8.42611473 6.77824501 0.00082189 0.00783912 -0.01790316 -0.08203626 0.05720559 0.11497330 -0.01086246 -0.02502360 0.00315358 +H 9.68134396 7.29246729 6.13391768 -0.00824917 -0.02447854 0.00171119 -0.12657422 -0.15658594 -0.05653622 -0.00640323 -0.02348846 -0.00876676 +H 8.68572069 8.56196583 5.17195243 0.01341979 0.01410976 -0.00879160 0.13197158 -0.17040668 -0.00229517 0.02438288 -0.02888575 -0.02447621 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.06148115 5.71635806 5.83420624 0.00540062 0.00325180 0.00313001 0.01164362 0.02105452 0.00760175 -0.00156215 0.00368640 -0.00214807 +C 2.32719293 6.07623685 5.69581491 -0.00260408 -0.00098795 -0.00146463 0.02247853 0.02131051 -0.02580972 0.00644815 0.00516181 -0.00345481 +H 0.93670128 5.17396791 6.64057787 0.01194592 -0.00389986 -0.00951581 0.04143323 -0.03641189 -0.05219244 -0.00201856 -0.01691160 0.01007854 +C 2.91982981 6.73822972 4.51734334 -0.00247190 0.00021353 -0.00545855 -0.02398370 -0.02172073 0.00722326 -0.00595119 -0.00434232 0.00293877 +H 2.62912046 5.39321837 7.69569860 -0.01593394 -0.00447819 -0.00143196 0.00474720 0.02876383 0.02126176 0.01222605 0.01146008 0.00694757 +C 4.31813375 7.02590629 4.51942116 -0.00410751 -0.00938965 0.00129120 -0.04558130 -0.07419064 -0.00145000 -0.00729255 -0.00949225 -0.00322917 +H 2.35702422 6.92495614 3.65471149 0.00733136 0.01693174 0.01097449 -0.06523864 0.14047443 -0.01663004 -0.00444334 0.00821939 0.01803032 +C 5.08218862 6.58203868 5.61807558 0.00004811 0.00049262 -0.00122935 -0.01096649 0.02550616 -0.02515430 -0.00215546 0.00479510 -0.00253365 +H 4.75826239 7.41733189 3.62901212 -0.00751668 0.01752670 0.00982043 -0.03779023 0.09921346 0.07605224 -0.00945308 0.00043970 0.01609992 +C 4.46038314 6.14229864 6.74670125 0.00230173 0.00108647 -0.00312288 0.01724580 -0.01779336 0.03341850 0.00155051 -0.00476035 0.00976219 +N 6.41338180 6.68489195 5.49412487 0.00142335 0.00289222 -0.00034819 0.02828558 0.01616802 -0.00793262 0.00768669 0.00046678 -0.00656811 +C 3.10174181 5.85581173 6.83763385 -0.00370296 -0.00003175 0.00251501 -0.02068757 -0.00004199 -0.00255838 0.00017037 0.00023046 -0.00297951 +H 5.05264464 5.87582514 7.59375928 0.01505707 0.00989922 0.01775064 0.04329985 0.09195388 0.02969077 -0.00150133 0.01097012 -0.00365107 +C 7.36838492 7.07600493 6.30431654 0.00438850 0.00361346 -0.00075716 0.02382502 0.03798991 0.01757083 0.00160112 0.00596675 0.00345316 +H 6.77707039 6.50109289 4.65317260 0.00752690 -0.02522014 0.01943381 0.04422777 -0.16874737 -0.06742522 -0.01908661 0.00032886 0.02647093 +O 7.24773024 7.45540137 7.48805237 -0.00486241 -0.00361981 0.00097564 -0.03783538 -0.03091951 -0.00268364 -0.00551454 -0.00457108 -0.00068066 +C 8.71400413 7.18704547 5.65263505 -0.00044766 0.00025407 -0.00119919 0.02817035 0.00810005 0.00017834 0.00765520 0.00181096 0.00075653 +H 8.79278901 7.93180448 4.85527628 0.02043269 0.01438539 0.01375943 0.05130945 0.11323858 0.12369473 -0.00517401 0.01641738 0.01717230 +H 9.33308841 7.53537349 6.50023763 0.00431777 -0.00507096 0.01321890 0.07778689 -0.10368434 -0.05579123 0.02561130 -0.02049912 -0.01153485 +H 9.12363012 6.27168964 5.24468194 0.00711034 0.00216738 -0.02202501 -0.02392278 0.01543278 -0.06722634 -0.01479538 0.00463545 0.00038853 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.05498497 5.78899694 5.72557219 0.00153125 0.00129378 -0.00231380 -0.00663408 0.01473447 -0.01205507 -0.00327108 0.00337337 -0.00048022 +C 2.36115273 6.03970765 5.72818018 0.00210187 0.00221122 -0.00014182 0.01316601 -0.01963450 -0.00674377 0.00021595 -0.00580593 -0.00016800 +H 0.58236898 6.30101092 6.31729811 0.01522150 -0.00837159 0.02792253 0.09762822 -0.08054066 0.14004662 0.01741069 -0.02360999 0.00012251 +C 3.14613293 5.09107787 4.99184657 0.00533934 0.00129707 0.00128903 0.03448415 0.04166931 0.03090046 0.00383098 0.00616337 0.00418341 +H 2.30034898 7.65457366 7.14435829 0.01014879 0.02388159 0.00147937 0.02581337 0.13000861 -0.01796388 0.00600188 -0.00995185 -0.01774468 +C 4.52900421 5.27830830 5.08718194 -0.00063219 -0.00637527 0.00687069 0.01625061 -0.03394873 0.02411109 0.00632467 -0.00091951 0.00045986 +H 2.69122875 4.35671347 4.37977622 0.03245218 0.01238779 -0.00329121 0.13519605 -0.01270666 -0.06663384 0.00993590 0.00889522 0.00560178 +C 5.10668945 6.32350339 5.78774068 0.00018282 0.00412522 0.00537134 0.02678662 0.01632053 0.03235680 0.00553871 -0.00132904 0.00252948 +H 5.21115467 4.72510769 4.47083296 -0.01069920 0.02308990 -0.02953947 -0.11087420 0.01557754 -0.14522517 -0.01730368 -0.01661228 -0.00137401 +C 4.29401053 7.16176975 6.57787990 -0.00854597 0.00552867 -0.00523520 -0.04135337 0.04897800 -0.04019248 -0.00041332 0.00838174 -0.00405252 +N 6.51253048 6.50069693 5.61491977 0.00485693 -0.00507604 0.00127376 0.01546065 -0.03249841 0.00849285 -0.00276745 -0.00309841 0.00190710 +C 2.89926632 7.03599135 6.55403759 -0.00241791 -0.00117856 0.00211939 -0.01413273 -0.00740826 0.01230037 -0.00308725 0.00087542 0.00153004 +H 4.69723718 8.04302464 7.01370587 0.00120803 -0.01277509 0.01336725 -0.00828048 -0.06961875 0.17886693 -0.01263473 -0.01355090 0.02016040 +C 7.32778092 7.42252538 6.14825932 -0.00887428 -0.00050044 -0.00643565 -0.02687000 -0.01217036 -0.05792156 0.00260330 -0.00123323 -0.00768656 +H 7.09078176 5.89131777 5.00378146 0.01058472 0.00723250 -0.02266172 -0.13921047 0.04273815 -0.09474540 -0.02697926 -0.01365912 -0.02234704 +O 7.05898332 8.24765640 6.96824941 -0.00061734 -0.00703776 -0.00226471 -0.02046568 -0.03446629 -0.00104232 -0.00520094 -0.00336537 0.00122455 +C 8.75785741 7.39237826 5.66005363 0.00053069 0.00251069 0.00303685 -0.00282995 0.01332510 0.01225430 -0.00103992 0.00171467 0.00092592 +H 9.02409643 8.32552358 5.12109223 0.01718347 0.00528320 0.02416697 0.10639047 0.03551578 0.20354047 0.01000546 0.01608769 0.02636439 +H 9.32024336 7.24222119 6.60169797 -0.01215190 -0.00854075 -0.02467249 0.07755911 -0.03657741 -0.04284386 0.02669045 -0.00922128 0.01211268 +H 9.02380434 6.49716768 5.05001696 0.00080420 0.02873635 -0.01371716 -0.03448771 0.17878128 -0.14936345 -0.00670217 0.01104247 -0.03406278 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99835063 5.84484872 5.94201571 -0.00753004 -0.00350152 0.00298618 -0.05217772 -0.02643382 0.01638943 -0.00796706 -0.00344231 0.00049574 +C 2.35416356 5.94484039 5.97865291 -0.00644227 0.00075842 -0.00418004 -0.04730612 0.00400514 -0.02452924 -0.00491347 0.00073384 -0.00308616 +H 0.67828424 6.24250094 5.18798608 -0.01989816 -0.00367868 0.00302606 -0.16153364 -0.03731655 0.03850608 -0.01465541 -0.01607439 0.02575500 +C 3.04639018 5.46266725 7.08194593 -0.00021900 -0.00495415 -0.00020172 0.00962122 -0.01244766 -0.02532470 0.00358798 0.00115229 -0.00557709 +H 2.48626290 6.86747604 4.05048567 -0.00935139 -0.00669865 -0.01119950 -0.02437883 -0.01483342 -0.05504687 0.00937024 0.00223966 -0.00120972 +C 4.40058596 5.76716470 7.12221016 0.00909931 0.00710089 -0.00179706 0.07275111 0.03106189 0.01640221 0.00611789 0.00102549 0.00536041 +H 2.52028615 4.93375203 7.84052526 -0.00156217 -0.00158950 -0.02137528 -0.01332306 -0.05664805 0.00717820 0.01192287 0.00021289 0.00341300 +C 5.12092502 6.44081675 6.10715597 0.00749356 -0.00093422 0.00711581 0.02542323 0.00029317 0.02413043 -0.00140066 0.00131921 -0.00063584 +H 5.02338834 5.44913880 7.98617770 0.01072600 0.01624300 -0.00642808 -0.00027586 0.06602052 0.01775843 0.00569395 -0.00435773 0.02994372 +C 4.40986041 6.80643499 4.95721137 -0.00318392 -0.00408288 0.01104003 -0.00274898 -0.01729162 0.04433040 0.00282610 -0.00155058 0.00190790 +N 6.48270808 6.63126901 6.25753656 0.00021604 0.00310068 -0.00177884 -0.02074376 0.00337974 0.01239283 -0.00372551 0.00067287 0.00236881 +C 3.01635895 6.57007052 4.92564586 0.00128957 0.00306680 -0.00521716 -0.00064307 0.02051377 -0.04269645 -0.00334687 0.00176125 -0.00533669 +H 4.87013531 7.26264004 4.10860331 0.04106092 -0.01549155 -0.02612171 0.09835579 -0.17564944 0.08818057 -0.00917707 -0.02214022 0.03264181 +C 7.36396247 7.36638586 5.66662761 -0.00281748 0.00524593 -0.00761901 0.00004187 0.04832305 -0.05180863 0.00205781 0.00358662 -0.00242446 +H 6.75051423 6.14213853 7.11422418 -0.03201807 0.00106127 0.01339262 -0.01035573 0.06099135 0.00581188 0.03404863 0.00599332 0.00525583 +O 7.15906330 8.17671612 4.73298415 0.00697166 0.00313720 0.00277583 0.04200624 0.01973142 0.01467328 0.00451708 0.00431556 -0.00069250 +C 8.73059230 7.28944711 6.26782596 -0.00298560 -0.00670459 -0.00172709 -0.02180990 -0.04947422 -0.01551730 -0.00094129 -0.00698488 -0.00091241 +H 9.40122718 7.36911408 5.41323775 0.00975480 -0.01983871 0.02076251 0.17230226 -0.05347868 0.14490348 0.02382953 0.00039671 0.01956771 +H 8.80424427 8.00617657 7.05616239 -0.00963065 -0.00639563 -0.01006953 0.02453782 0.06439508 -0.06794932 0.01053427 0.00404904 -0.01938343 +H 8.89522479 6.34820808 6.73134154 -0.00984278 0.00508761 0.00209315 -0.05661158 -0.09175951 0.04925346 -0.01255380 -0.00596030 0.00177181 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98851090 5.66713793 5.66088407 0.00431667 -0.00068996 0.00005443 0.03599164 -0.00030437 0.01259185 0.00577333 0.00087594 0.00246490 +C 2.27426983 6.05758381 5.92936717 0.00240276 0.00580613 -0.00498328 0.04456323 0.01704449 -0.02179803 0.00711029 -0.00174830 -0.00065817 +H 0.69401286 5.91129524 4.77892776 0.00487528 -0.01319686 0.01873210 -0.01311856 -0.05420419 -0.00039767 -0.00175990 -0.00529338 -0.00337873 +C 2.98287848 5.61495400 7.10917813 -0.00444064 -0.00035341 -0.00631925 -0.02562755 0.01884681 -0.02420682 -0.00208626 0.00422102 0.00135589 +H 2.69409797 6.88107722 4.00564676 -0.02889154 -0.01143218 0.01579571 -0.17490862 -0.00104078 -0.03716859 0.00438898 0.00406429 0.00858652 +C 4.37739819 5.86539082 7.35664100 -0.00074482 0.00170829 0.00681733 -0.04254898 0.00151498 0.03355640 -0.00855321 -0.00099554 0.00347129 +H 2.39872158 5.26169921 7.93421816 0.01581816 -0.00692026 -0.00230581 0.02993884 -0.15494216 -0.04686663 -0.00617144 -0.02635985 -0.02172593 +C 5.09084184 6.42058584 6.31681263 -0.00165634 -0.00258855 0.00722045 0.03396940 0.01223298 0.03741346 0.00695491 0.00553843 0.00170699 +H 4.85546976 5.62250508 8.26499616 -0.00164283 -0.00576647 0.00624795 -0.05199353 -0.06199714 0.07222457 -0.02371126 -0.00612484 -0.00569728 +C 4.49041023 6.81855682 5.14096481 -0.00601786 -0.00052334 0.00627676 -0.07004517 -0.01402780 0.01116926 -0.01030201 -0.00309404 -0.00124746 +N 6.47690623 6.68480086 6.46700966 0.00145753 -0.00715169 -0.00373366 0.02689799 -0.04689654 -0.02471447 0.00465399 -0.00585978 -0.00257842 +C 3.09438414 6.65737543 4.93589093 -0.00291747 0.00147792 -0.00440868 -0.02921135 0.00094246 -0.01467122 -0.00774921 -0.00017246 -0.00338207 +H 5.02797554 7.09982003 4.23653142 -0.02671153 -0.01029262 -0.00902008 -0.10492641 0.02612624 0.02688594 0.00347911 0.01935229 0.00904814 +C 7.37603968 7.31936777 5.63112651 -0.00049749 0.00741998 0.00338760 -0.01741874 0.03614708 0.04164012 -0.00209434 0.00247910 0.00638202 +H 6.97227024 6.40986859 7.30981075 -0.00352850 -0.00048836 0.00838264 -0.11253153 -0.07539816 0.01195348 -0.01303282 -0.02227528 0.00163758 +O 7.04956360 8.02833930 4.70042161 0.00687316 -0.00125882 -0.00181379 0.04183753 -0.00499729 -0.02157495 0.00441884 -0.00034096 -0.00374933 +C 8.85124796 7.24306677 5.94169529 0.00214579 0.00087627 -0.00628831 0.01055769 0.00711104 -0.01283728 -0.00121928 0.00120637 0.00084763 +H 9.17725931 8.27280765 6.21689349 -0.02957730 0.02044876 -0.00075453 -0.11839884 -0.00216409 -0.07669355 0.00692083 -0.00008944 -0.01009514 +H 9.14234232 6.57638040 6.77444516 0.01675459 -0.01289339 0.00992152 0.00205642 0.03034268 -0.07146541 -0.00755751 0.00785389 -0.00768026 +H 9.31866428 6.85778627 5.00584746 -0.00523163 0.00613749 0.01251944 0.07586515 0.07807840 0.00858225 0.02475875 0.01321968 -0.01547809 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01381101 5.73627789 5.97848060 -0.00304574 0.00142598 -0.00313625 -0.01011222 0.00973383 -0.02688598 -0.00296253 0.00241252 -0.00592904 +C 2.37734857 5.98823985 5.92778598 -0.00304766 -0.00009558 -0.00227864 -0.06646454 0.00337830 -0.00071615 -0.01139024 0.00138769 0.00241049 +H 0.49198280 6.27141016 5.41083690 0.00764622 -0.01365736 0.01153554 -0.03129512 0.01426318 -0.06365265 0.00594305 -0.00428493 -0.00544959 +C 2.97916557 5.55344629 7.09652744 0.00026198 0.00053685 -0.00213852 0.01742259 0.00344150 -0.03605751 0.00294076 -0.00001392 -0.00790676 +H 2.57341156 7.19608866 4.06800274 0.02017189 -0.00126284 -0.02150589 0.01599506 -0.06666955 -0.03104083 -0.00984963 -0.02035543 0.02647852 +C 4.34319639 5.70933053 7.10893945 -0.00278156 -0.00246702 -0.00364522 0.02107304 -0.00672713 -0.01640144 0.00823913 0.00086780 -0.00059805 +H 2.51651743 5.05467137 7.95462511 0.01227951 0.00636302 -0.01044108 -0.04178119 0.00245726 -0.07311920 -0.01888643 -0.00583090 -0.00733995 +C 5.10746255 6.38694632 6.09869608 0.00268859 0.00292674 0.00882953 0.00651575 0.02591411 0.06329525 -0.00084939 0.00537869 0.00565409 +H 4.82510068 5.30108087 8.02578393 0.00185838 0.02397754 -0.02462158 0.09928931 0.09747883 -0.05604675 0.02635435 -0.00623468 0.02200400 +C 4.41138633 6.97425353 5.04288374 0.00449577 -0.00098209 0.00220167 -0.00115490 -0.01820796 0.01296344 -0.00343421 -0.00402426 0.00357639 +N 6.44833827 6.62221836 6.36883320 0.00285379 0.00370318 -0.00513629 0.02817539 0.01748295 -0.02856179 0.00423740 0.00043587 -0.00098733 +C 3.02160677 6.77417146 4.92156059 -0.00325489 -0.00233930 0.00552878 -0.00463388 -0.02212231 0.03183275 0.00074089 -0.00324155 0.00100296 +H 4.81769943 7.52792659 4.18175539 -0.00898036 -0.00158859 0.02506344 0.11436468 0.06900114 0.13727694 0.02940448 0.01586157 0.00858373 +C 7.38530108 7.29985189 5.61392673 0.00188567 -0.01009366 0.00534699 0.02900026 -0.05624032 0.04577222 0.00565744 -0.00279399 0.00100396 +H 6.73321686 6.19957163 7.24697808 0.01719894 0.00506863 -0.00002841 0.13218517 0.12091383 -0.05708091 0.01822687 0.01850083 -0.00037989 +O 7.27002274 7.66292060 4.46713730 -0.00626683 0.00000528 0.00146171 -0.04561212 -0.00234795 0.01273416 -0.00592313 -0.00146466 0.00423254 +C 8.71259970 7.64127332 6.38208767 0.00367570 0.00223437 -0.00154632 0.00535342 0.00032765 -0.02614132 0.00180671 -0.00099498 -0.00417439 +H 8.79571212 7.09593711 7.29464172 0.00182467 0.00559395 -0.01688471 -0.02970390 0.06885138 0.08338266 -0.00617840 0.02368297 0.01331828 +H 9.54514301 7.19872880 5.89359590 -0.00445434 0.02142204 0.00899728 0.08700547 0.10631077 -0.12188869 0.00081217 0.01155488 -0.02300689 +H 8.85064854 8.68075096 6.49248149 0.01385559 0.00239750 -0.02070538 0.06213362 0.06413574 -0.08460495 -0.00789576 -0.01307092 -0.00510423 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02175534 5.70575843 5.79852706 0.00281915 -0.00497954 -0.00117322 0.02291735 -0.02279207 -0.00422459 0.00115655 -0.00205713 0.00011348 +C 2.34318199 6.12469774 5.87938243 -0.00511195 0.00371141 0.00282639 -0.05332010 -0.00009289 0.01135928 -0.00424579 -0.00387178 -0.00028555 +H 1.01190208 4.82687049 5.38435743 -0.01265654 -0.00294272 0.03435487 -0.12039926 -0.09058033 0.22081207 -0.01290455 -0.01710102 0.02778504 +C 2.62497304 7.39927451 6.40894914 0.00749862 -0.00282478 -0.00629570 0.02960277 -0.01088670 -0.03974066 0.00017311 -0.00358284 -0.00588564 +H 3.01222566 4.17923593 5.11566271 -0.00106919 0.00365672 0.01617984 0.06788647 0.07813621 0.06237085 0.01541830 -0.00027405 -0.00551474 +C 3.95872859 7.82281117 6.43194311 -0.00403968 -0.00241925 0.00643121 -0.01698975 -0.01544760 0.04361188 0.00030951 -0.00087693 0.00539828 +H 1.86241038 8.15058056 6.78122411 -0.00531188 -0.00410482 -0.00925645 0.00232433 -0.15554519 -0.13661778 -0.02349389 -0.00155917 -0.01282727 +C 5.00275073 6.96160378 6.04607362 -0.00363255 0.00317626 0.00716400 -0.00306320 0.02014273 0.03884405 0.00405962 0.00220818 0.00303564 +H 4.17251802 8.83657695 6.78822133 -0.02103132 -0.00984708 -0.01615014 -0.09856677 0.02505646 -0.06494442 -0.00357101 0.01709902 0.00241549 +C 4.64216007 5.60835591 5.65929226 0.00452889 0.00695068 -0.00315728 0.02622464 0.05378467 -0.04325679 0.00288015 0.00894083 -0.00748034 +N 6.30280875 7.55082901 6.02869286 0.00486456 0.00378246 -0.00312778 0.02055255 -0.00397374 -0.02388630 -0.00120518 -0.00428857 -0.00310625 +C 3.29844193 5.19572323 5.46316338 0.00318525 0.00531615 -0.00267895 0.03020518 0.05968404 0.00971493 0.00416165 0.01235406 0.00567290 +H 5.32071914 4.87224653 5.22430093 -0.00060183 0.00469907 0.00243081 0.09948951 0.07030419 0.10454460 0.02421767 0.00914249 0.01835064 +C 7.47376477 6.86260831 5.78107166 -0.00077893 -0.00459359 -0.00251820 -0.00305267 0.04408628 0.00727804 -0.00021030 0.00979428 0.00231931 +H 6.37043640 8.55185498 6.24476017 -0.01056786 0.00895610 -0.01572938 -0.01288231 -0.01577228 -0.09395187 0.00975600 0.00218642 -0.00719317 +O 7.50839695 5.74934384 5.43845325 -0.00168050 -0.00315065 0.00070195 -0.00329070 -0.05255139 -0.00503128 0.00089282 -0.00830101 -0.00107200 +C 8.82687975 7.65941176 6.07324667 -0.00634932 -0.00458074 0.00126090 -0.05004261 -0.03279736 0.00410205 -0.00468589 -0.00400650 -0.00099006 +H 8.72811767 8.25469006 7.00199044 0.01153985 0.00496319 0.00214235 0.03457561 -0.02742584 -0.03444427 -0.00623513 -0.00893853 0.00352095 +H 9.60941307 6.95439533 6.26749973 -0.00913093 -0.01383769 -0.00337741 -0.06411111 -0.10077592 -0.02669737 -0.01807329 -0.00376240 -0.00683017 +H 9.18337828 8.27711304 5.28758399 0.01915938 0.02850527 0.00421566 -0.02360955 0.05598685 0.06749399 -0.02999411 -0.02253900 0.01740664 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96809921 5.91215742 5.82928826 -0.00150131 -0.00072499 0.00264042 -0.00669731 -0.00964698 0.00432716 0.00178078 -0.00154173 0.00139769 +C 2.31986297 5.99024808 5.88325509 0.00484837 -0.00390323 0.00402323 0.03323296 -0.01275232 0.03474902 0.00128212 0.00089850 0.00409493 +H 0.64795567 5.80115201 4.92712782 0.00175330 -0.01212424 -0.01832178 0.04054326 -0.03839943 0.03833962 -0.00474470 -0.00490358 -0.01381398 +C 2.98762399 5.70345517 7.10827548 -0.00341792 0.00558700 0.00315455 -0.03589941 0.02860311 0.02980104 -0.00161409 0.00383243 0.00298233 +H 2.59602236 6.73140111 3.91860383 0.02656133 0.01225447 0.00760632 0.12341341 0.05130870 -0.08587758 0.01607238 -0.01094014 0.00430679 +C 4.39343528 5.85458210 7.28262438 -0.00179204 -0.00729651 -0.00703868 -0.01788344 -0.02954638 -0.02829093 -0.00422885 -0.00110751 -0.00105998 +H 2.27407461 5.35735903 7.92155890 -0.02342781 0.02511319 0.01944631 0.08769306 0.18852915 0.03497251 0.00987543 0.01030009 0.02901044 +C 5.19520697 6.47261436 6.29674191 -0.00086727 0.00321870 0.00209654 -0.05246384 -0.00530526 -0.04437204 -0.01134308 -0.00506157 -0.01231947 +H 4.82800191 5.66903220 8.24595721 0.00545464 -0.00764548 -0.00277949 0.00098339 -0.08731730 -0.04915405 -0.00413751 -0.01416959 -0.01121521 +C 4.48615912 6.58494009 4.98637911 -0.00405054 0.00100817 -0.00650004 0.01660361 0.01657032 -0.01566286 0.00749358 0.00244864 0.00238763 +N 6.57037192 6.65408299 6.50293960 -0.00175046 -0.00342785 -0.00164930 -0.03286390 -0.02722996 -0.02766238 -0.00542502 -0.00370835 -0.00639332 +C 3.08088140 6.46024981 4.80566933 0.00441789 0.00290133 0.00127932 0.03610090 0.01033196 0.02770313 0.00449371 0.00094637 0.00309237 +H 5.02145421 6.86904619 4.07887176 0.01625063 -0.03853922 -0.01929282 0.05387537 -0.19778558 -0.00257507 0.00510489 -0.00774851 0.00684377 +C 7.34820312 7.35460225 5.70093792 0.00178132 0.00463537 0.00398442 0.00207260 0.04329403 0.00463690 -0.00179827 0.00502599 -0.00097722 +H 6.94726799 6.02840164 7.19754045 0.00868760 0.00596073 -0.02351152 0.13272844 0.03587338 -0.03861960 0.00837308 0.00979531 0.00203453 +O 6.94630946 8.06159143 4.74560154 -0.00046380 0.00037495 -0.00058989 0.00534133 -0.00299470 0.00907053 0.00174610 -0.00041674 0.00236053 +C 8.81109148 7.28059119 5.98256766 0.00085209 0.00056412 -0.00136014 0.02456109 0.00314416 0.00382980 0.00594538 -0.00037119 0.00148540 +H 9.01526180 7.10476755 7.03442131 0.00209550 0.00920422 0.01517176 0.00492209 0.02997258 -0.00090585 -0.00133591 0.00051562 -0.00928414 +H 9.31474911 6.62552380 5.33147970 0.01906439 -0.01607168 0.00769071 0.06258144 -0.12544336 0.09351217 -0.01226651 0.00261054 0.02655444 +H 9.28902093 8.23871609 5.73933880 -0.02203901 -0.00497647 0.00866203 -0.10391047 0.07480108 0.03436607 -0.00028188 0.01837356 -0.00150532 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92048972 5.74563374 5.94425022 0.01021011 -0.00465497 -0.00149228 0.05582787 -0.03472132 -0.00954162 0.00443788 -0.00514804 -0.00083244 +C 2.22841676 6.13257202 5.85444639 -0.00575641 0.00031250 -0.00560666 -0.00108464 0.03878361 -0.01857141 0.00661129 0.00925851 -0.00001213 +H 0.41900636 6.21139080 6.55183354 -0.01581766 -0.00546410 -0.00715449 -0.04188521 -0.03666645 -0.09095062 0.01015677 -0.00821368 -0.02403983 +C 2.70846247 7.36092239 6.42767955 0.00287116 0.00231718 0.00384460 -0.01574975 -0.00804065 0.02389501 -0.00690045 -0.00216736 0.00396097 +H 2.87704998 4.28676266 4.95308493 0.01654878 0.01477651 0.01834810 0.08188216 0.01030435 0.08708328 0.00020315 -0.02231620 0.00212440 +C 4.06268873 7.73430311 6.41504852 0.00176689 0.00452988 0.00589711 0.00267101 0.03861282 0.03736843 -0.00146806 0.00687660 0.00434182 +H 1.97390558 7.92764117 6.94889870 -0.01356643 -0.02249744 0.00410224 -0.04195443 -0.00539505 0.03151790 0.00982000 0.01388983 -0.00082430 +C 5.02137212 6.90891806 5.84684265 -0.00440782 0.00462278 -0.00818152 -0.03124979 0.01041279 -0.03627476 -0.00265373 -0.00040865 -0.00094690 +H 4.38215500 8.59285060 6.91048910 0.01086762 0.01935923 -0.00013997 -0.00139726 0.12594230 -0.01278467 -0.01703018 -0.00706477 -0.01152714 +C 4.57231921 5.62927985 5.41742181 -0.00192596 -0.00298240 0.00015248 -0.01926942 -0.00197659 -0.00849571 0.00098593 -0.00074533 -0.00389335 +N 6.31043642 7.34152415 6.03031572 0.00517155 -0.00252446 -0.00153739 0.01092775 0.00669781 -0.01146940 -0.00290121 0.00239797 -0.00319759 +C 3.18847974 5.27790985 5.34420170 0.00048192 0.00369882 0.00495893 0.01798532 0.02044308 0.03282384 0.00344307 0.00283642 0.00453913 +H 5.24972230 4.93043254 5.08585585 -0.02981348 0.00536849 0.00964250 0.03113544 -0.12435025 -0.01841379 -0.00016111 0.00425131 0.00424712 +C 7.50606914 6.87428907 5.85946018 -0.00009649 0.00644703 0.00135119 0.03786825 -0.01326146 -0.00827869 0.00728595 -0.00960664 -0.00321645 +H 6.40189648 8.28251180 6.44671955 -0.00712686 0.00354520 -0.02450846 -0.08044045 0.03664421 -0.17200623 -0.00829215 0.02383443 -0.01479645 +O 7.83970150 5.75527693 5.47363854 -0.00003502 -0.00392739 -0.00035801 -0.01634378 -0.02162940 -0.00251223 -0.00405874 -0.00242667 -0.00040988 +C 8.66019524 7.77860750 6.19592109 -0.00950307 -0.00478007 0.00092126 -0.04772434 -0.00491114 0.02248524 -0.00330897 0.00230083 0.00238744 +H 9.61566791 7.22187495 6.39254363 -0.00483964 -0.00170707 -0.01203835 -0.11586585 -0.01873135 -0.04444564 -0.00469406 -0.01594667 0.00393667 +H 8.87816879 8.46915621 5.37528741 0.00630182 -0.00698443 0.01029777 -0.00806808 -0.02866238 0.02540825 -0.00966844 0.00320249 -0.00372149 +H 8.37688609 8.41922326 7.09201972 0.00152331 -0.00389159 0.01241445 0.07191913 -0.11175510 0.00965306 0.00635927 -0.00416154 0.02342954 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02536930 5.64664295 5.95565986 0.00009194 -0.00720729 -0.00042475 -0.00961537 -0.04991032 -0.01284185 -0.00205465 -0.00664970 -0.00355475 +C 2.30202780 5.97090404 5.93237649 0.00270701 -0.00096309 -0.00094989 0.03174641 0.01123144 -0.01221905 0.00302887 0.00344503 -0.00362920 +H 0.74768677 5.71698500 5.03652915 -0.00794581 -0.01460469 0.02046378 -0.18521541 -0.10540533 0.04034661 -0.03228203 -0.01382668 0.00112406 +C 2.98177060 5.70091275 7.08983873 -0.00374592 0.00926874 -0.00575131 -0.00492405 0.03759120 0.00017496 0.00327002 0.00158366 0.00714185 +H 2.36773101 6.76696010 3.96031389 -0.00745427 0.01836352 0.01377779 0.05685873 0.17120333 0.04390331 0.00826398 0.02896707 -0.02127154 +C 4.36942709 5.90767103 7.20924239 -0.00144864 -0.00343476 0.01109057 -0.00270445 0.00129415 0.04043343 -0.00181703 0.00399268 -0.00004070 +H 2.40115080 5.16392358 7.81293364 -0.00639001 0.02030030 0.00629232 0.01884647 0.17059274 0.10716310 0.00885423 0.02683258 0.01589742 +C 5.08802559 6.56815620 6.16359705 -0.00313213 -0.00348084 -0.00097320 -0.04888756 -0.03618702 -0.00375335 -0.00663984 -0.00645144 0.00125633 +H 5.00603935 5.57083443 8.05357090 -0.01587859 0.01450533 0.00623735 -0.18934892 0.06073155 0.16290296 -0.02410741 0.00277672 0.03748701 +C 4.36533421 6.91409198 4.97276326 -0.00477780 0.00412554 -0.00175454 -0.02356472 0.01229678 0.01530384 0.00088554 0.00036409 0.00246630 +N 6.43476003 6.70098320 6.33977515 -0.00090923 -0.00523915 0.00022195 0.01338979 -0.03085598 -0.00345403 0.00259650 -0.00449352 -0.00110511 +C 2.97986449 6.59493526 4.87412809 0.00333535 0.00523288 -0.00199783 0.00431195 0.03293141 -0.01698509 -0.00147343 0.00405291 -0.00070017 +H 4.87593334 7.34682010 4.16624964 0.00746982 -0.02843159 0.02149070 0.08179457 -0.05155751 -0.05396291 -0.00996156 0.00215004 -0.00243666 +C 7.42443513 7.36358769 5.69311125 0.00169356 -0.00359739 -0.00588143 -0.00490523 -0.03946734 -0.03463832 -0.00097416 -0.00762615 -0.00157895 +H 6.78888487 6.06374093 7.03389550 -0.00886839 -0.00510332 -0.01419521 0.00192057 -0.01511265 0.04640644 0.00655328 0.00922072 0.01697288 +O 7.23095464 7.84363148 4.56749376 0.00397151 0.00274519 0.00303720 0.03110242 0.02736265 0.02230462 0.00425650 0.00522695 0.00230604 +C 8.82539457 7.28367797 6.29351997 0.00555574 0.00562894 0.00384563 0.03075340 0.01606649 -0.01028258 0.00163381 -0.00008989 -0.00617401 +H 9.05858899 6.22942426 6.35603063 0.00000869 -0.01083326 -0.02614311 0.03951910 0.02012081 -0.11353920 0.01439451 0.01545813 -0.00207903 +H 9.56808687 7.70345188 5.62669240 -0.01816005 0.00519843 -0.03261922 -0.12135889 0.06739151 -0.13295718 -0.01173268 0.01421247 0.00464405 +H 8.98476218 7.70454730 7.26586415 0.00312721 -0.00805217 -0.01158958 -0.01356668 0.04261239 0.05928049 -0.00615225 0.00792014 -0.00016598 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98055671 5.69381756 5.88674643 -0.00226303 -0.00301745 0.00346994 -0.01276191 -0.01607735 0.01964658 -0.00062800 -0.00164318 0.00174940 +C 2.28478732 6.12569788 5.89090037 0.00253624 -0.00403975 -0.00684900 0.01234226 -0.02432467 -0.02162874 -0.00002022 -0.00226023 0.00113967 +H 0.62154926 5.32942962 5.12560158 -0.01673427 0.00520496 -0.01141648 -0.00236513 0.04977060 -0.01528734 0.01455354 0.00990670 0.00984690 +C 2.69333650 7.19013411 6.74765718 0.00376962 -0.00538079 -0.00362205 0.01786662 -0.02657989 -0.02050308 -0.00038886 -0.00140700 -0.00031120 +H 3.04981043 4.62823259 4.49709248 -0.01286198 0.03323838 0.01733665 -0.13535257 -0.03157445 -0.00104488 -0.01005719 -0.02735347 -0.00703180 +C 4.06846471 7.64554148 6.74653700 0.00415416 0.00700790 0.00243827 -0.02894707 0.03333369 0.03393822 -0.00876731 0.00137939 0.00488893 +H 1.94547524 7.62537304 7.31224143 -0.02861721 -0.00433301 0.03462738 0.05144332 -0.07663955 0.07862342 0.04596723 -0.02077807 -0.02153766 +C 5.00564850 6.97215468 6.00580741 -0.00189157 0.00075394 0.00010040 -0.01578714 -0.01839689 -0.00658960 -0.00129518 -0.00103849 0.00111912 +H 4.23540573 8.43305280 7.46064336 0.00191200 0.00268001 0.00404507 0.12124904 0.07341357 -0.03249548 0.01997309 0.00936004 -0.01433513 +C 4.59076913 5.82070260 5.27939617 -0.00008330 0.00520106 0.00563212 0.00664949 0.03745668 0.01883370 0.00151357 0.00158318 -0.00224471 +N 6.27200708 7.38715671 6.02368064 0.00305317 -0.00214361 -0.00308623 0.03655797 0.01535009 -0.00703031 0.00486559 0.00744148 0.00144600 +C 3.27473531 5.41255737 5.21341910 0.00221437 -0.00122260 -0.00640292 0.00335651 0.01182394 -0.04291603 -0.00198416 0.00348807 -0.00650022 +H 5.26153039 5.35558843 4.56122232 -0.01984327 0.00149781 0.02451907 0.05609352 -0.08950457 0.14687176 0.02903249 -0.01794242 0.01876457 +C 7.49377214 6.87047807 5.73830412 -0.00405281 0.00243757 0.00152944 -0.01793475 0.00590403 0.01857311 0.00161286 -0.00245459 0.00283676 +H 6.27702742 8.22605154 6.53227528 0.01370510 0.01285064 -0.01489567 0.16396726 0.10370748 -0.15206420 0.02296183 0.00167453 -0.03180678 +O 7.69462185 5.71206146 5.38144897 -0.00492230 -0.00248572 0.00014143 -0.03668691 -0.00834749 -0.00131990 -0.00563205 0.00068712 -0.00019554 +C 8.67412909 7.79923334 6.08713628 0.00091161 0.00136674 0.00386186 0.02043376 -0.00854089 0.00415525 0.00180317 -0.00309715 -0.00188145 +H 9.60281275 7.23724732 5.80024270 0.02454108 -0.01189293 0.00985196 -0.01973097 0.06599677 0.08067926 0.00123529 0.00586375 0.00568818 +H 8.63086684 8.78174598 5.60131946 0.01769846 0.00530275 -0.02575354 0.10431815 -0.10156158 -0.10136699 0.00910398 -0.02164428 -0.00581165 +H 8.78048190 7.93632900 7.18039753 0.00175659 -0.00038722 -0.01328537 -0.03870275 0.05354962 -0.00482138 -0.01134376 0.01804309 0.01282378 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00518099 6.02653886 5.93794699 -0.00223268 0.00013081 -0.00648635 -0.01165307 -0.00243982 -0.05330906 -0.00110933 -0.00098904 -0.00590621 +C 2.34535159 6.06837338 5.77352918 0.00183924 0.00159416 0.00336904 0.02043109 0.02446653 -0.00445320 0.00203134 0.00463928 -0.00369410 +H 0.77712269 5.96554314 6.84188226 0.00148994 -0.00853454 -0.03114018 -0.07041185 -0.08126655 -0.03336131 -0.00895212 -0.00951912 -0.02194827 +C 2.87872617 6.42547452 4.47542316 0.00080246 -0.00146616 0.00140440 0.00312429 -0.01193685 0.03312582 -0.00319870 -0.00079627 0.00489836 +H 2.89767951 5.59647890 7.87263924 -0.01970664 0.01267596 -0.00456240 -0.14007800 0.08736164 -0.05268587 -0.01596415 0.00973336 -0.00258661 +C 4.30250502 6.65899411 4.31376599 -0.00370764 -0.00470260 -0.00135297 -0.05411984 -0.04048822 0.00563687 -0.00670276 -0.00560400 0.00443652 +H 2.19074913 6.48022645 3.68822803 -0.02676968 0.02680884 0.02045969 -0.07029853 0.17313187 0.06940143 0.02630893 0.01354261 0.01556430 +C 5.09341437 6.59237559 5.45704670 -0.00229370 -0.00429498 0.00905708 -0.00503368 -0.03212047 0.04184360 0.00071669 -0.00510609 0.00109277 +H 4.66000073 6.81818799 3.30752664 0.00391373 0.01021401 0.01100227 0.05073625 0.13174772 0.07109692 -0.00188628 0.01944060 0.01373593 +C 4.54509171 6.16924401 6.67599356 0.00316737 -0.00193263 0.00308409 0.03660762 -0.02043508 0.04185634 0.00300478 -0.00383330 0.00740796 +N 6.44083432 6.86420468 5.35998098 0.00068142 -0.00501855 0.00142231 0.00757533 -0.03228992 0.03823503 0.00209220 -0.00278474 0.00218741 +C 3.21103485 5.89340579 6.87334361 0.00144819 0.00462821 0.00012671 -0.00596766 0.03291673 -0.00110334 -0.00226032 0.00483320 -0.00048128 +H 5.26156177 5.99554330 7.50527332 0.01417579 0.00648765 0.00110058 -0.07465526 0.02121125 0.05617364 -0.00880943 -0.00402897 0.03738333 +C 7.35393364 7.09286930 6.35809837 -0.00129729 0.00536706 -0.00298232 -0.01138247 0.05160882 -0.02853892 0.00076909 0.00907723 -0.00386487 +H 6.83460544 6.91223011 4.49723552 -0.01261154 0.02043336 0.02558013 -0.04013392 0.13753645 -0.08445458 -0.02457044 0.00479145 0.02434057 +O 7.18866118 7.16068253 7.59210272 -0.00158402 -0.00480351 -0.00330433 -0.01269302 -0.03543091 -0.03543095 -0.00196644 -0.00502286 -0.00653191 +C 8.67816591 7.45200027 5.80718492 0.00956747 0.01003361 -0.00509439 0.07341191 0.04283176 -0.01246068 0.00858860 0.00214151 0.00022433 +H 9.18070200 8.13281451 6.50043856 0.00217561 -0.02484165 0.01840005 0.06838397 -0.03478904 0.07264416 0.01933471 0.01174606 -0.00145422 +H 9.27462113 6.55359832 5.90858437 -0.02580485 -0.01647733 0.00052973 -0.12501697 -0.07678568 -0.08622770 -0.00480392 0.00146474 -0.02616194 +H 8.74634937 7.77565735 4.78866245 0.00073724 0.00719398 0.00356558 0.00258460 0.13346448 -0.03988901 0.00395192 0.02317905 0.00875765 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.06107985 5.64223756 5.87816609 0.00013797 -0.00126210 -0.00174735 -0.00111040 0.00345325 -0.01242077 -0.00073840 0.00082889 -0.00192412 +C 2.31682777 6.16419405 5.82395406 0.00111071 0.00551603 -0.00372183 -0.00707604 0.01813592 -0.00722051 -0.00135127 -0.00127452 0.00094337 +H 1.08475878 4.75952328 5.66220170 -0.00152600 -0.00302371 -0.00518370 -0.04993387 -0.01818788 -0.03524348 -0.01063505 0.02471997 0.00127608 +C 2.63613668 7.42971082 6.36248252 0.01064036 -0.00078339 0.00043281 0.05389471 0.02428516 0.00242359 -0.00192259 0.00660729 0.00121517 +H 3.00354260 4.25714321 5.05547701 0.01522470 -0.00653407 0.04256197 0.11830504 -0.09747651 0.28107204 0.00679285 -0.03613389 0.02022878 +C 3.98612590 7.94181467 6.38235917 -0.00328429 0.00211574 0.00572306 -0.02572844 -0.01833557 0.04129603 0.00107789 -0.00639170 0.00537791 +H 1.92915171 8.09086739 6.70430669 -0.00632252 0.00087576 0.01895990 -0.04692003 -0.06095364 0.08766330 0.01867873 -0.02799762 -0.00551159 +C 4.94501716 6.99557352 6.01894440 -0.00223504 -0.00089662 -0.00326195 0.00776077 -0.00061208 -0.01785989 0.00240926 0.00106496 -0.00110556 +H 4.21610477 8.90785219 6.79042467 0.01757061 0.00317714 0.01192752 0.04852236 -0.03004448 0.03200896 -0.01039072 -0.01395119 -0.00141314 +C 4.62508209 5.69222878 5.56639133 -0.00146191 0.00256335 0.00370902 -0.00761233 -0.00015275 0.01072998 -0.00245610 -0.00161028 -0.00157876 +N 6.27566814 7.36889393 6.18044601 -0.00527825 0.00082684 0.00143233 -0.01601574 0.00930977 0.01057506 0.00068464 0.00354523 0.00203397 +C 3.29507355 5.26271372 5.49334303 -0.00552405 -0.00663320 -0.00342580 -0.00948483 -0.02696042 -0.02887629 0.00370320 0.00172708 -0.00215574 +H 5.42991079 4.99206531 5.30337947 0.00938447 0.00901172 -0.03155231 -0.06264812 0.09384465 -0.14126209 -0.00672536 -0.00009131 -0.00843353 +C 7.46915211 6.80053233 5.86067980 -0.00242744 0.00646967 -0.00651348 -0.01298595 0.02632862 -0.05612496 -0.00077466 0.00014817 -0.00850870 +H 6.47414169 8.19631307 6.63262019 -0.01834751 0.00679082 0.02237739 -0.19002727 0.03608950 0.08966515 -0.02693371 -0.02136863 -0.01243626 +O 7.69009989 5.70913158 5.32507937 0.00404946 -0.00720565 0.00375554 0.01317920 -0.03697662 0.03303304 -0.00061904 -0.00236018 0.00568310 +C 8.66703406 7.69485635 6.07158219 0.00109675 -0.00008378 -0.00335110 -0.00118296 0.01389219 -0.01290680 0.00045091 0.00470203 0.00104508 +H 8.60313376 8.11243526 7.01991227 0.00346874 0.00319078 0.02096175 0.05478338 0.00390610 0.05974620 0.00789193 -0.00966070 -0.03118898 +H 9.57785070 7.13404902 5.94641048 0.00440642 0.00864562 0.00800320 0.05989320 0.04600946 0.03106216 -0.00369361 0.00649741 0.00107476 +H 8.56327561 8.49201394 5.35268753 0.00786661 0.00226043 -0.01580010 0.12779521 -0.00635827 -0.06213495 0.02350259 -0.00623030 0.00528181 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04614650 5.61565407 5.82636354 0.00958167 -0.00159587 0.00112658 0.05801050 -0.00076661 0.01426953 0.00567865 0.00036103 0.00220190 +C 2.34463903 6.02201542 5.72660796 0.00152678 0.00233329 -0.00032109 -0.00088676 0.00867294 -0.01154980 0.00021089 0.00098956 -0.00160652 +H 0.70123204 6.08945351 6.54155998 -0.00312612 0.01648083 0.00741100 -0.04063467 -0.01822262 -0.04439844 -0.00978562 -0.01422351 -0.01111691 +C 2.98416994 6.03177903 4.48481559 0.00104361 0.00458735 0.00256539 0.00223595 0.00206568 -0.00099708 0.00113127 -0.00362287 -0.00173359 +H 2.53090993 6.41398042 7.82187659 0.00314307 0.02912018 0.00963033 0.05214177 0.08140078 0.00681566 0.00379293 -0.00793243 -0.00164246 +C 4.34718231 6.33525726 4.44237171 -0.00603313 -0.00358636 -0.00580980 -0.00643993 -0.03155955 -0.05580135 0.00337199 -0.00353735 -0.00765016 +H 2.48982192 5.58974803 3.60333550 0.02668421 -0.03370857 -0.01337847 0.14062944 -0.03810600 0.03358255 -0.00747638 0.01027021 -0.00155579 +C 5.11168400 6.58112615 5.58597987 -0.00386125 0.01221311 -0.00387196 -0.06367286 0.08033401 -0.02548553 -0.01166517 0.00932789 -0.00253623 +H 4.89328252 6.12477504 3.53717732 0.00927859 0.00039004 -0.01916802 -0.05616969 0.08684706 -0.07981992 -0.01725746 0.01734801 -0.01090529 +C 4.40208997 6.62455852 6.78528038 -0.00098743 -0.00552358 0.00148225 0.00981381 -0.02959266 0.04526757 0.00219243 -0.00203357 0.00844079 +N 6.43649860 6.79358333 5.46304023 -0.00452395 -0.00379235 0.00114269 -0.00892344 -0.01546185 0.01928832 0.00218058 -0.00025826 0.00300574 +C 3.03932604 6.33354173 6.87281057 0.00071510 -0.00251932 -0.00119062 0.00441670 0.00255727 0.01089314 0.00097158 0.00314391 0.00333651 +H 4.91714043 6.78539041 7.71116708 -0.00411445 0.01621301 0.03285160 -0.07034376 0.09617690 0.02829756 -0.00456509 0.00865159 -0.01458222 +C 7.35233963 7.19861587 6.34759208 0.00332733 -0.00537830 -0.00125887 0.02539449 -0.01548642 0.00687345 0.00145938 0.00076631 0.00376647 +H 6.81778211 6.78122772 4.55142319 0.01862816 0.00653907 0.01145117 0.04050760 -0.05479857 0.01555907 -0.01592034 -0.02205187 0.00727613 +O 7.28526061 7.63956990 7.51329491 -0.00187916 0.00324544 0.00304937 -0.02637361 0.00622791 0.00233084 -0.00512555 -0.00149381 -0.00265965 +C 8.68521042 7.26247059 5.67019894 -0.00417025 -0.00230636 0.00021843 -0.00939448 -0.01974987 -0.00107721 0.00115525 -0.00318445 -0.00259276 +H 9.21753974 6.31865991 5.84977775 -0.00044711 -0.01501867 -0.01326733 -0.02455815 -0.01271087 -0.13984780 -0.00155915 0.00036214 -0.02309595 +H 8.55574953 7.47541747 4.61944637 0.00004644 0.02488871 0.00604868 0.03757777 0.11867031 0.01162475 0.00701882 0.00544652 0.00647748 +H 9.27390250 8.11595600 6.10893822 -0.00892442 -0.01624195 -0.00619339 0.00185143 -0.09821259 0.01651018 0.02064164 0.00166062 0.02150022 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00072498 5.71821391 5.82963124 -0.00168059 0.00233686 -0.00072171 -0.00262614 0.02953377 -0.00669946 0.00063416 0.00447687 -0.00096930 +C 2.31116670 6.12314668 5.84633491 0.00278122 0.00623871 0.00051403 -0.00949744 0.01147343 -0.00520031 -0.00486028 -0.00323574 -0.00208657 +H 0.87929417 4.77788328 5.96346888 0.01099198 0.02438335 0.00310280 0.05682346 0.00446375 0.01715035 0.00449487 0.00096889 -0.00217867 +C 2.61709311 7.37519904 6.32240974 -0.00159251 -0.00290574 -0.00348819 0.01353109 0.02010146 0.00353978 0.00332828 0.00753431 0.00347834 +H 3.08301683 4.36421834 4.85468351 0.02199730 0.01392066 -0.01032343 0.09155878 -0.04283887 -0.00907633 -0.00681353 -0.03617755 0.00396442 +C 3.94324823 7.87066477 6.49068106 0.00558594 -0.00348359 0.00297315 0.02429666 -0.05079610 0.01221932 0.00167097 -0.00766897 0.00280273 +H 1.85476261 8.00832103 6.75044307 0.00175352 -0.01588458 -0.02520825 -0.12031025 -0.01683339 -0.16079371 -0.01735279 0.00948253 -0.01694375 +C 4.99028559 7.01291369 6.05473481 0.00508801 0.00114141 0.00631559 0.00932553 -0.03263409 0.03104815 -0.00159104 -0.01147967 0.00133561 +H 4.10186844 8.82401890 6.93127082 0.00939734 -0.02384188 0.01823629 0.09021064 -0.06754279 0.12114198 0.00946076 -0.01459092 0.00113674 +C 4.66340835 5.74763503 5.50456587 -0.00576216 -0.00247220 -0.00317515 -0.03149523 -0.01240417 -0.01891221 -0.00323484 -0.00108152 -0.00108186 +N 6.29199450 7.38752341 6.13545607 0.00099632 -0.00721652 -0.00568933 0.03080217 -0.01131142 -0.03022792 0.00458908 0.00320696 -0.00282629 +C 3.33475565 5.29724150 5.41027332 -0.00905779 -0.01043267 0.00257836 -0.03796360 -0.05310671 0.00686102 -0.00009976 -0.00249559 -0.00010807 +H 5.44290010 5.14370179 5.06540849 0.01624889 0.00602418 0.01189346 0.00633265 -0.01257364 0.08140350 -0.01518463 -0.01255692 0.00489562 +C 7.48411913 6.78364114 5.88622080 -0.00136929 0.01062096 0.00074894 -0.00714631 0.06022492 -0.00665942 0.00281734 0.00198374 -0.00375223 +H 6.47399974 8.36233952 6.39149489 0.02002837 0.00540589 -0.01501750 -0.00069787 -0.03982569 -0.11513435 -0.01460690 0.01502754 -0.00989757 +O 7.73379394 5.64155613 5.65625563 -0.00412131 0.00016584 0.00190672 -0.03824408 -0.00983254 0.01363367 -0.00682327 -0.00071380 0.00238653 +C 8.61934318 7.70847183 5.82984279 0.00696794 0.00767415 -0.00290385 0.05349374 0.05458162 -0.00686918 0.00799203 0.00695613 0.00388583 +H 9.13923611 7.60864418 6.72378131 -0.01717154 0.00066139 0.00478828 -0.02083330 0.04601153 0.13185098 -0.00178812 0.01409157 -0.00718225 +H 9.33850442 7.45197947 5.06454863 -0.00376960 -0.00601442 0.00825994 0.02490663 -0.03864427 -0.04851123 0.00419703 0.00607677 -0.01022812 +H 8.33602374 8.75571090 5.65937914 -0.01270698 -0.02013220 0.02206347 -0.08062933 0.04276679 0.10097508 0.00029289 0.02643518 -0.00009527 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95972950 5.67207754 5.80751525 -0.00242649 0.00375740 0.00168806 -0.01299171 0.02584035 0.00901121 -0.00057470 0.00593008 0.00190546 +C 2.26825528 6.09274746 5.88924103 -0.00052876 -0.00204142 -0.00788886 0.00437044 0.00338073 -0.05097248 0.00010150 0.00410216 -0.00554565 +H 0.79946579 4.82118407 5.35673890 -0.01955442 -0.00169594 -0.00302701 -0.06719892 0.06861630 0.03537728 -0.00628593 -0.01449882 -0.00583411 +C 2.58942144 7.44141767 6.18750136 0.00689646 -0.00314700 -0.00054375 0.04301223 -0.02134658 0.00289796 0.00206880 -0.00357603 0.00062537 +H 3.05345557 4.15849687 5.45732393 0.00937387 0.00995692 -0.00064761 0.13789045 0.03922347 -0.04649072 0.01451552 -0.01358344 -0.01214347 +C 3.96056369 7.89957284 6.27549531 -0.00244426 -0.00744373 0.00258453 -0.02117210 -0.04814216 0.01502566 -0.00248861 -0.00489660 0.00232010 +H 1.82545872 8.14520320 6.42435446 0.00074155 0.00644966 -0.00059651 0.02366604 -0.01250687 -0.06113192 0.01076053 -0.01216592 -0.01468147 +C 5.04808445 7.00077223 6.05028462 0.00195324 0.00152076 0.00695807 -0.03268847 -0.01682851 0.04123488 -0.00964988 -0.00784216 0.00373815 +H 4.13042319 8.95186968 6.46408968 -0.02382937 0.00031566 0.00080987 -0.10372204 -0.05409128 0.02929285 -0.00040658 -0.01030476 0.00782200 +C 4.68184027 5.65185856 5.79354406 0.00116162 -0.00421503 -0.00159294 0.00789827 -0.02034635 -0.02290893 -0.00015050 -0.00226352 -0.00411710 +N 6.35236063 7.44918179 6.09531455 -0.01002613 -0.00526587 -0.00349800 -0.04428321 -0.00456955 -0.01327210 -0.00142246 0.00458171 -0.00010262 +C 3.35394821 5.20743385 5.64998034 -0.00382523 0.00442145 0.00176039 -0.03292074 0.02434559 0.01940166 -0.00157214 0.00194318 0.00267801 +H 5.44883807 4.96039237 5.54158754 -0.00769523 -0.00878312 -0.00353254 -0.04160524 -0.13583596 0.02883343 -0.00785235 -0.01214024 0.01187108 +C 7.48308847 6.87842237 5.72418387 -0.00294476 0.00994316 -0.00253002 0.00774114 0.04614739 0.00940310 0.00434755 0.00045446 0.00383144 +H 6.55698616 8.28091221 6.59362508 0.02236749 0.00097775 -0.00277778 -0.03742909 0.02135246 -0.07350846 -0.03498620 0.00763340 -0.01601461 +O 7.54634746 5.72940327 5.33738870 0.00183261 -0.00158309 0.00544993 0.02258382 -0.00216373 0.02924759 0.00437957 0.00238649 0.00338076 +C 8.77739149 7.65887146 6.17548179 0.00839329 0.00476858 -0.00463626 0.03478739 0.02140515 -0.04362778 0.00055619 -0.00036184 -0.00271085 +H 8.82480553 7.83396702 7.20902509 0.02233987 -0.02184886 0.01800791 0.08722415 -0.11036446 0.01547406 0.00065462 -0.00688723 -0.03751019 +H 9.66165263 6.99378964 5.91896575 0.00347361 0.00385621 0.00415857 0.00607071 0.10164156 -0.03068173 0.01829185 -0.00077678 -0.01965927 +H 8.73788815 8.68154344 5.62404695 0.03832098 0.00407471 -0.00691252 0.32679878 -0.09467596 0.03207563 0.04555621 0.01529130 -0.00609162 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97344205 5.75443383 5.79542179 -0.00068881 -0.00286413 -0.00223649 0.00760393 -0.03280410 -0.01396491 0.00306488 -0.00378958 -0.00268441 +C 2.34438934 6.03702640 5.84387398 -0.00263638 0.00270585 0.00207503 -0.03855535 0.04850236 0.02890953 -0.00379250 0.00587630 0.00505167 +H 0.64848825 4.88036603 6.09271498 -0.00614124 -0.00220975 0.03468389 0.08655735 0.08734395 0.18791701 0.01507662 -0.01064336 0.03665433 +C 2.59193153 7.44601819 6.06957127 0.00310396 -0.00171775 0.00418178 0.01458470 -0.02628813 0.01042694 -0.00134443 -0.00315311 -0.00041113 +H 3.28876603 4.07861631 5.57148688 -0.01280868 0.02180513 0.00832504 -0.14104192 -0.01621890 0.08194521 -0.01381832 -0.01075670 0.01111638 +C 3.91666596 7.95064814 6.06826405 -0.00457782 0.00304653 0.00318455 -0.02557432 0.01372958 0.03137118 -0.00035045 -0.00050856 0.00419029 +H 1.78604486 8.14655831 6.12839373 -0.01548107 -0.01015355 -0.00767941 -0.04745234 -0.09722209 0.00078200 0.00853411 -0.01459568 0.00725818 +C 5.00759976 7.05261509 5.93937328 0.00121562 0.00547894 -0.00483489 0.02176309 0.02554908 -0.02730994 0.00215098 0.00087347 -0.00224191 +H 4.01666687 9.00392955 6.32416036 -0.01806686 0.01847786 -0.01216805 -0.04559427 0.02442899 -0.16207264 0.00471343 -0.00234481 -0.02490758 +C 4.74804920 5.63526528 5.79309193 0.00610467 0.00107134 0.00046633 0.00116466 0.00515814 0.00718889 -0.00360541 0.00093857 0.00045927 +N 6.33474543 7.57160539 6.04599604 0.00469313 0.00545965 -0.00309457 0.00268748 -0.00458773 -0.02566014 -0.00392043 -0.00099242 -0.00275163 +C 3.39717764 5.13909471 5.78702194 0.00071887 -0.00352163 -0.00341786 0.02425376 0.00627527 -0.03253322 0.00135631 0.00595314 -0.00460539 +H 5.43734948 4.82763435 5.77745708 0.00328840 -0.02157163 -0.01640298 0.03677097 0.03430036 -0.12211120 -0.00167349 0.03316757 -0.01259593 +C 7.46440066 6.81786925 5.90221131 -0.00411765 -0.00457781 -0.00230653 -0.02092585 0.00773580 -0.00699342 0.00032797 0.00540221 0.00030707 +H 6.42677862 8.46990094 6.34993199 -0.01656891 -0.00931069 0.00148113 -0.02143983 0.09312586 -0.00449336 0.00821304 -0.02633319 -0.02320346 +O 7.53960843 5.63175299 5.64512446 0.00059965 -0.00047176 0.00139857 0.00705744 -0.01167109 0.00707774 0.00123311 -0.00217913 0.00074238 +C 8.72421703 7.61863048 6.03789019 -0.00137909 -0.00396374 0.00578075 0.01612129 -0.01126147 0.01603218 0.00573271 -0.00412546 -0.00008945 +H 9.16020492 7.71749334 5.04590435 0.00435551 -0.00705541 -0.02746385 -0.06988553 -0.05577403 0.01960098 -0.01081062 -0.00691100 0.01943135 +H 8.53862629 8.69739328 6.38178703 0.00102319 0.01100987 -0.00265003 0.04943607 -0.11400485 -0.00650845 0.00424078 0.00391075 0.01338819 +H 9.51647688 7.13975420 6.54930176 0.01528084 -0.00629599 0.01705773 -0.03199210 -0.01327258 0.14800019 -0.03387820 0.00890299 0.01021783 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01802775 5.85984511 5.66117671 0.00178212 0.00340107 0.00445925 -0.00618571 0.02163180 0.03616872 -0.00479967 0.00277345 0.00605196 +C 2.30980146 6.16470011 5.91965902 -0.00160419 -0.00451739 0.00109407 -0.01894161 -0.03918617 -0.00447119 -0.00159606 -0.00457145 -0.00146530 +H 0.38573118 6.29554009 6.15375004 0.00154919 0.00496616 0.02146822 0.06103572 0.04026688 0.11506577 0.02250013 -0.00009297 0.00407320 +C 2.67689214 7.37668237 6.42506520 -0.00658097 0.00292776 -0.00653498 -0.00715769 0.02577752 -0.02394722 0.00285911 0.00279281 -0.00044169 +H 2.80738868 4.35050608 5.04032519 0.00186822 0.01439598 -0.02893463 0.10336091 0.00452540 -0.17448113 0.02197229 -0.01240963 -0.01397424 +C 4.05469651 7.67134583 6.55162850 0.00248762 0.00456337 0.00169952 -0.02724148 0.03514890 0.01397178 -0.00665397 0.00202617 0.00024008 +H 1.94788531 8.09818179 6.81853504 0.01814288 -0.01691567 -0.00336766 -0.03969087 0.00937881 -0.02863226 -0.02496797 0.01822578 -0.00727269 +C 4.99091056 6.80097309 6.06659689 -0.00063730 0.00048580 0.00604168 0.02231313 -0.02569822 0.02110914 0.00330339 -0.00658758 0.00022867 +H 4.26813721 8.64995314 7.04708101 0.00980957 -0.00704876 -0.01061722 0.12980748 -0.00547507 -0.08197836 0.01996572 0.02271072 -0.00163723 +C 4.61418932 5.52773791 5.52178966 -0.01212710 -0.00552491 -0.00738216 -0.04508846 0.00030181 -0.03748115 0.00009492 0.00779526 -0.00131128 +N 6.28883568 7.33692320 6.07956932 0.00263380 -0.00157406 -0.00123486 0.01007765 -0.00976362 -0.01290889 -0.00194663 -0.00057842 -0.00183874 +C 3.23637222 5.23548994 5.48921451 0.00098737 -0.00467528 -0.00047660 -0.00315133 -0.03988355 -0.01912819 -0.00312158 -0.00631042 -0.00564736 +H 5.36421739 4.85434077 5.04895297 0.01047849 0.01077720 -0.00731176 -0.04713877 0.07155865 0.00355187 -0.00559461 -0.00972723 -0.00765937 +C 7.53025701 6.85950494 5.77114884 -0.00098026 0.00570733 -0.00206862 -0.03612778 0.04326795 0.00449707 -0.00343831 0.00105862 0.00159894 +H 6.30373541 8.31292385 6.32074234 -0.01134540 0.00212383 -0.00103527 -0.03354619 -0.02132669 0.00411431 0.00377638 -0.00437528 0.00228445 +O 7.75123450 5.72364240 5.48838912 0.00654041 -0.00416829 0.00265445 0.04961164 -0.03112439 0.01295407 0.00635179 -0.00168093 0.00173667 +C 8.58120068 7.90719845 6.01033129 0.00282361 0.00111524 0.00021050 0.03539367 0.01741915 0.00210698 0.00646437 0.00138943 -0.00028612 +H 9.16040050 7.95094071 5.11005377 0.01528559 0.00607853 -0.00536547 0.07813410 0.09249491 0.01252964 -0.00110877 0.02158880 0.01496624 +H 8.33637822 8.94659622 6.31829199 -0.03394984 0.02304905 0.02433862 -0.18062019 -0.15256293 0.05002979 -0.01435396 -0.03381068 -0.00306707 +H 9.20403393 7.46135099 6.77335562 0.00572331 -0.00435229 0.00344945 0.05263233 0.04315819 0.01595880 0.00510658 0.01727058 -0.00137286 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01197549 5.67179788 5.90653550 -0.00413766 -0.00221938 -0.00557456 -0.04043496 -0.01952638 -0.02074305 -0.00733933 -0.00304485 -0.00199713 +C 2.27000367 6.10156158 5.98150008 -0.00027402 -0.00883172 0.00822042 0.02474747 -0.06493295 0.03997030 0.00404261 -0.00804002 -0.00068669 +H 0.53041920 5.76142831 5.10683490 -0.00276781 -0.02614906 0.01816208 -0.02155970 -0.11032052 -0.08356221 0.01898317 -0.00635578 -0.00602029 +C 3.03909676 5.69073113 7.10720995 -0.00191635 -0.00046100 -0.00035106 -0.00542931 -0.00514132 0.00960397 0.00100565 -0.00209894 0.00649635 +H 2.45497774 6.80306181 3.97973718 -0.00002786 0.01825373 0.01393535 -0.03213374 0.13105136 0.01109599 -0.00288399 0.01480851 0.00619994 +C 4.43182472 5.84841644 7.24113209 0.00065714 0.00579722 0.00030424 -0.01773787 0.04986514 -0.03639843 -0.00284361 0.00643834 -0.00723122 +H 2.53369468 5.10108619 7.85266140 0.03015630 0.02595094 0.00034926 0.05531143 0.09346927 0.16450033 -0.00863316 0.00648381 0.02431797 +C 5.10257262 6.45466179 6.14973444 0.00100285 0.00929995 -0.00163010 0.00535960 0.05968826 -0.00389876 0.00198903 0.00665881 0.00020222 +H 4.87478602 5.44281358 8.10230220 -0.00364792 -0.00630271 -0.03094554 0.11407575 -0.03642532 -0.04985040 0.00974746 0.01692290 -0.01400275 +C 4.34733290 6.86965627 5.00552281 0.00278657 -0.00363588 -0.00281695 0.03493167 -0.03878827 -0.03798818 0.00436342 -0.00674284 -0.00502667 +N 6.46735502 6.58046436 6.27923939 0.00840303 -0.00557086 0.00156358 0.04895071 -0.02545114 0.00353457 0.00345816 -0.00242032 0.00066736 +C 2.97254891 6.59906391 4.89089715 -0.00315827 0.00864226 0.00247609 -0.01851342 0.06824963 0.03056053 -0.00141998 0.00976142 0.00561531 +H 4.86862864 7.11407140 4.05792402 0.01935053 -0.00936676 -0.01371388 0.05528558 0.03670108 0.07585039 0.00860285 0.02397359 0.00379879 +C 7.39692433 7.32613706 5.64753394 -0.00280245 0.00201974 0.00614406 -0.01608390 0.01201584 0.00556610 -0.00060904 0.00144880 -0.00500609 +H 6.87782111 6.11921413 7.07575810 -0.00487869 0.00520042 -0.01292470 -0.00129882 -0.04753574 0.05740291 0.00083525 -0.00718517 0.00947462 +O 7.29502190 7.92122242 4.57667552 0.00042335 0.00128467 -0.00539702 -0.01103797 0.00307203 -0.02525861 -0.00354504 -0.00068121 -0.00105338 +C 8.72482756 7.38796528 6.30367566 -0.00306754 -0.00612691 0.00009398 -0.02517678 -0.02863330 0.02702421 -0.00092418 -0.00225149 0.00765449 +H 8.90358599 6.48337506 6.84034980 0.01465076 0.01660385 0.00877166 0.13083636 -0.00795840 0.09782102 0.00853444 -0.00153986 0.00357467 +H 9.51360906 7.60051831 5.60832975 -0.02125947 -0.01584235 0.00677987 -0.01045122 -0.05933139 -0.05147041 -0.00093585 -0.00377599 -0.00347556 +H 8.59235070 8.19194397 6.98758222 -0.00869578 0.00402092 0.01376053 0.06002080 -0.00828567 0.04886165 0.02367813 -0.01221206 -0.00876567 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01658332 5.70448140 6.01966596 -0.00352805 -0.00373550 -0.00529882 -0.00759177 -0.01535739 -0.03555726 0.00055634 -0.00294582 -0.00567171 +C 2.34000790 6.09808495 5.95377381 0.00269771 0.00161184 0.00623683 -0.01972264 -0.02430377 0.03311292 -0.00702178 -0.00785460 0.00292583 +H 0.85591867 4.84698084 5.66594820 0.00820720 0.01630461 0.00489450 0.02799721 -0.06030892 -0.03896074 0.00472224 0.00288463 -0.00130659 +C 2.63609245 7.30633107 6.48336653 -0.00217466 -0.00285877 0.00092830 0.00768019 0.02406438 0.01407295 0.00163646 0.00964396 0.00287059 +H 3.03924836 4.41938947 4.79167116 0.03964288 0.02556678 -0.02023013 0.18491610 0.03158840 -0.12101828 -0.00199996 -0.02922802 -0.01448262 +C 3.97961970 7.71988598 6.42197615 -0.00323209 -0.00144725 -0.00266713 0.00257480 0.00789690 0.00536214 0.00403164 0.00467759 0.00455265 +H 1.94788558 7.93777084 6.92416606 -0.00281804 0.03581285 -0.01938686 -0.05019764 0.11968616 -0.11370536 0.00890050 -0.02105883 -0.01827352 +C 5.02963265 6.93088525 5.90600454 0.00236739 -0.00008780 0.00295371 0.00198755 0.02721780 0.01060768 -0.00148838 0.00708758 -0.00020025 +H 4.29244833 8.62805645 6.85544148 0.02267578 0.01153266 0.00556624 -0.02468854 0.02866486 -0.00298411 -0.02897157 -0.00676090 -0.00913036 +C 4.69291452 5.77888060 5.20133792 -0.00011226 0.00478604 0.00088080 -0.02496872 0.01223333 0.01844923 -0.00886988 -0.00079068 0.00602664 +N 6.28452469 7.51345952 5.94365032 0.00069999 0.00154751 0.00256106 0.02120792 0.01210652 0.01960236 0.00472305 -0.00007473 0.00216771 +C 3.35305163 5.35157056 5.32515980 -0.00504209 -0.00519334 0.00382110 -0.01945002 -0.03360639 0.00559861 0.00105516 -0.00192833 -0.00151920 +H 5.45309625 5.21477382 4.60645000 -0.01593252 -0.02114310 0.01468099 -0.12874400 -0.10813578 0.11954587 0.00223964 -0.01558253 0.00491511 +C 7.46857240 6.90264821 5.84929202 0.00097545 0.00146191 -0.00298459 -0.00849251 -0.02640728 -0.01501915 -0.00171342 -0.00669940 -0.00095515 +H 6.34489177 8.49411011 6.29870068 0.01723352 -0.00841927 -0.00929877 0.07017939 0.00857228 -0.08855921 0.00264578 0.03033248 -0.00735872 +O 7.48416312 5.66949834 5.72073575 -0.00462701 -0.00525640 -0.00288457 -0.01470039 -0.02303858 -0.02222182 0.00036882 -0.00148953 -0.00349714 +C 8.74753592 7.66879232 6.07573915 0.00469451 0.00517848 -0.00350367 0.03152344 0.05070347 -0.00650945 0.00569459 0.00708893 0.00201599 +H 8.77798076 8.05766203 7.05423349 0.01556761 0.00785399 0.02458756 0.08361088 -0.05926085 0.06089573 0.00394752 -0.02433334 -0.02218468 +H 9.61096673 7.08490104 5.88043313 0.00179074 -0.00389767 0.01187506 0.04238286 -0.04425995 0.04794673 -0.01032784 0.00657737 0.00310115 +H 8.75324431 8.56651053 5.48144605 0.03126970 0.01648271 0.01410368 0.19764117 0.07425156 -0.00104340 0.01807282 -0.00514823 -0.00715363 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.09217911 5.56962267 5.79498200 -0.00499177 -0.00465413 0.00061902 -0.04900493 -0.02283834 -0.01194973 -0.00681832 -0.00214901 -0.00271547 +C 2.36010165 5.98456770 5.90457728 -0.00137104 0.00152369 -0.00537926 -0.01794743 0.00350366 -0.02472636 -0.00355772 -0.00117770 -0.00036968 +H 0.59745101 5.95719240 5.09194713 -0.01284952 0.01179234 -0.01672439 0.00745295 0.00313587 0.00979294 -0.00493817 0.00301605 -0.00630185 +C 3.04814949 5.49908849 7.01982911 -0.00574144 -0.00008595 0.00287296 -0.03909685 -0.00402918 0.01356020 -0.00281840 0.00083600 -0.00145259 +H 2.50080429 7.19187001 4.06746091 -0.01226095 -0.00433451 -0.01275853 -0.04023852 -0.01474398 0.02439620 0.01554237 -0.00157373 0.02653345 +C 4.40647852 5.67885894 7.15625807 -0.00012080 -0.00026798 -0.00769097 0.00046589 -0.00393773 -0.02798715 -0.00017783 -0.00075462 -0.00030928 +H 2.51384065 4.88578728 7.79773904 0.00913897 0.01217092 0.00613673 0.01876217 0.03151445 0.00201283 -0.01891945 -0.01904092 0.01279086 +C 5.04649352 6.56214691 6.28269120 -0.00098629 0.00159396 0.00511767 0.01296293 0.01576786 0.02164164 0.00428520 0.00282467 0.00097677 +H 4.85691684 5.18103724 7.99343276 0.03039186 -0.00346707 -0.00391525 0.16787415 0.04497144 -0.12688751 0.00933788 0.00937226 -0.02312216 +C 4.30216299 7.17588881 5.24257410 0.00214777 -0.00030069 0.00484754 0.02279431 -0.00022379 0.02045141 0.00759289 0.00245080 -0.00147054 +N 6.42879231 6.72432551 6.45428148 0.00132000 0.00334488 0.00689879 0.00948650 0.01709473 0.05195875 0.00047539 0.00230580 0.00651027 +C 2.94658422 6.83612245 4.95288147 0.00935411 0.00228518 -0.00164404 0.06682678 0.00630319 0.00077111 0.00554639 -0.00124041 0.00117030 +H 4.78202737 7.85889688 4.62709114 0.01138511 -0.02067453 0.00043169 0.09436488 -0.06018622 -0.09358042 -0.00601604 -0.01479230 -0.00117424 +C 7.39073607 7.28448513 5.66195913 0.00097952 -0.00642107 0.01276957 -0.01335321 -0.01392727 0.00691535 -0.00328957 0.00292925 -0.01069203 +H 6.79671971 6.20454657 7.25220548 -0.00992830 0.00346840 0.02214099 -0.04943261 0.12955142 0.10434307 0.00538844 0.02340026 0.02174488 +O 7.24360786 7.75901366 4.48998847 -0.00423506 0.00264347 -0.00574269 -0.03885975 -0.00374017 0.00839717 -0.00671132 -0.00392455 0.00832845 +C 8.77462990 7.35775718 6.16571630 0.00692687 0.00035241 -0.00826085 0.04551894 0.00503169 -0.04308509 0.00681688 0.00232773 -0.00560274 +H 9.26835039 7.97760031 5.48121787 -0.01217786 0.00828791 -0.00317152 0.09253925 0.04267242 -0.11089641 0.01601906 -0.01524381 0.00011700 +H 8.79856482 7.97294551 7.04498635 -0.01038437 0.00301580 -0.01112101 -0.01319718 -0.07579027 0.04486551 0.01109350 -0.02957360 0.01027377 +H 9.22866309 6.38496602 6.26221211 0.00146970 -0.00909186 -0.02692971 0.05317476 -0.01796091 -0.13290177 0.00906891 0.01113698 -0.00891647 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01199401 5.83731559 5.79431447 -0.00059129 -0.00121603 0.00336085 -0.00902908 -0.01655143 0.01661237 -0.00132307 -0.00193926 0.00336259 +C 2.31733060 6.10961331 5.96830941 0.00021120 0.00381103 0.00222032 0.01041056 0.01328889 0.00812707 0.00191399 -0.00021368 0.00042664 +H 0.93055055 5.31149787 5.01849051 -0.00674335 -0.02713051 -0.00862426 -0.08731337 -0.07088027 0.10885599 -0.01891604 -0.01292317 0.01306628 +C 2.78917358 6.78837538 7.08291604 0.00397636 0.00411778 0.00389371 0.01803120 0.02411222 0.03056421 0.00310916 0.00228055 0.00235192 +H 2.85917199 5.19397221 4.05931969 -0.02768551 0.02237254 -0.02101874 -0.09125841 0.13415715 0.02769860 -0.00461907 -0.00032025 0.00190776 +C 4.13028217 7.16854062 7.20540139 0.00575806 0.00417394 -0.00984260 0.05261146 0.02378313 -0.08627585 0.00540834 0.00004591 -0.01475316 +H 2.04415565 6.97873374 7.85773768 0.00270603 -0.01638086 0.00611663 0.07281082 0.02181518 0.06247511 0.01219424 0.02306213 0.01710276 +C 5.07561480 6.78315458 6.19393430 0.01168121 -0.00099925 -0.00798766 0.02807531 -0.01783163 -0.03745343 -0.00567670 -0.00409423 -0.00302512 +H 4.48107160 7.88768516 8.03839932 -0.00784346 -0.02032155 -0.01846190 -0.02957368 -0.17116925 -0.02100088 0.01837811 0.00080904 0.03788217 +C 4.59589700 6.01113547 5.09931085 0.00174532 -0.00236181 -0.00308328 -0.01392990 -0.00996028 -0.02151471 -0.00411629 -0.00007738 -0.00240202 +N 6.39915465 7.13517369 6.38557170 -0.00580816 -0.00057640 0.00080001 -0.03877069 0.00050456 0.00964086 -0.00251050 0.00044051 0.00101633 +C 3.21648091 5.67233723 4.99281683 -0.00363389 -0.00401352 0.00003707 -0.01112453 -0.00944004 -0.01471493 0.00068855 0.00311476 -0.00176356 +H 5.15257154 5.74868094 4.16743828 -0.00664277 0.02224357 0.02135404 0.13028361 0.06573024 0.08260617 0.03440726 -0.01009462 -0.01062555 +C 7.43479808 6.97777838 5.61939105 -0.00390359 0.00034603 -0.00094977 -0.01778742 0.00677929 0.00339669 -0.00159150 0.00205313 0.00289450 +H 6.60035851 7.61832122 7.24354713 0.01420828 -0.01353454 0.00502995 0.02087788 -0.07607658 0.03236989 -0.01365221 -0.00654052 0.00545959 +O 7.45657958 6.33346390 4.58941500 0.00093684 0.00171880 0.00486037 0.01407300 0.00701882 0.01837161 0.00308487 0.00008868 0.00001071 +C 8.61803871 7.69471294 6.19531265 -0.00230157 -0.00504113 0.00469229 -0.01417332 -0.00958875 0.01350560 -0.00215569 0.00090959 0.00287338 +H 9.35102441 8.06682918 5.45742096 -0.00969468 0.03460903 0.00813665 -0.12596458 0.12974632 0.04181306 -0.01249699 0.00555854 -0.00458108 +H 8.22048122 8.58016355 6.65302185 -0.02672550 -0.00415359 0.00948486 -0.03742174 -0.07472591 0.14232852 0.01818369 -0.02321884 0.02403723 +H 9.15591078 7.04837438 6.84959494 -0.01761058 0.00193158 -0.01231170 -0.01471604 -0.06623707 0.07720150 0.00228051 -0.00096593 0.00772620 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97950486 5.81737531 5.60354609 -0.00317894 -0.00337010 0.00138140 -0.01090972 -0.02267815 0.01079784 -0.00103500 -0.00546834 0.00359267 +C 2.32566852 6.08500416 5.71945981 -0.00453594 -0.00150156 -0.00155438 -0.02577078 -0.01374413 -0.00747336 -0.00136030 -0.00160829 -0.00195814 +H 0.68291179 5.11326423 6.13159555 0.01823909 0.00918251 -0.00948319 0.05331690 -0.06312985 0.06353808 0.00725047 0.00877307 -0.00081049 +C 2.92489038 6.64037543 4.61323929 -0.00210004 -0.00183150 -0.00414933 -0.01424800 -0.00619484 -0.03664756 -0.00238587 -0.00063809 -0.00308830 +H 2.76656823 5.21192638 7.71758291 -0.00497217 0.00852004 0.00733927 -0.03905331 0.17069285 -0.02000617 -0.01368211 0.02084761 0.01061965 +C 4.24789724 7.09975607 4.68359027 -0.00903863 -0.00098825 0.00064156 -0.04430212 -0.00241342 0.01498884 -0.00173311 0.00176940 0.00208657 +H 2.37943241 6.72280814 3.64293739 0.01129172 0.01148464 -0.00217552 0.01500884 0.11317215 0.01932679 -0.01940426 0.01954956 -0.01376862 +C 5.04184989 6.94760845 5.83968877 -0.00086066 -0.00160067 0.00504780 -0.03192848 -0.00692526 0.00921024 -0.00457526 0.00128239 -0.00364047 +H 4.65488783 7.57423122 3.81776998 -0.00938774 0.00511803 0.02367640 -0.02199222 0.08157617 0.02877664 -0.00532018 0.00754383 -0.00069585 +C 4.47445404 6.25489674 6.93351288 0.01015569 0.00411036 -0.00423727 0.05074607 0.01930961 -0.01968562 0.00209167 -0.00241324 0.00461782 +N 6.28827034 7.46085377 5.79281061 -0.00091100 -0.00075668 0.00487911 0.02345296 -0.01529045 0.02892840 0.00536449 -0.00274139 0.00156689 +C 3.14132403 5.81339418 6.86233488 0.00175052 0.00508715 -0.00353541 0.00143437 0.02637459 -0.01502452 0.00061860 0.00452760 -0.00268347 +H 5.10280874 6.17770258 7.72947481 -0.00436106 -0.01643046 0.00783419 -0.03541453 -0.16198145 0.13192310 -0.02385360 -0.01049549 -0.02069820 +C 7.44027864 6.89494997 6.23330867 0.00308330 0.00020352 0.00284667 0.01335091 0.03227578 -0.00920582 0.00116325 0.00738244 -0.00373271 +H 6.45150022 8.16731593 5.08906869 0.01453894 -0.02579382 -0.00351361 0.05212528 -0.10638892 -0.05299311 -0.00181160 -0.00543129 -0.00607054 +O 7.50557923 6.03613586 7.11960399 -0.00230652 0.00385164 -0.00400616 -0.00623812 0.02349871 -0.02961960 0.00060813 0.00272713 -0.00420431 +C 8.67322268 7.54335076 5.47256409 0.00640140 -0.00429206 0.00128314 0.03156356 -0.03766182 0.04167987 0.00361445 -0.00418192 0.01044948 +H 8.59054589 8.58146797 5.71095761 0.01612037 0.00973345 0.00454401 0.15559756 0.00542930 -0.03968408 0.02466500 -0.02193027 -0.00848862 +H 9.52078915 7.18462307 6.03569586 -0.00122977 -0.01370037 0.01213494 0.06227432 -0.09495016 -0.01188386 0.01226675 -0.01174235 -0.01987348 +H 8.82409075 7.33354016 4.40112978 0.00162663 0.02444526 -0.02291753 -0.06735538 0.12371326 0.04178319 -0.01729712 0.00156023 0.02328422 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.90975030 5.78564983 5.84412297 -0.00921211 0.00056399 -0.00327882 -0.06120818 0.00665819 -0.01976678 -0.00454132 0.00359512 -0.00403990 +C 2.20115772 6.15978377 5.80066306 0.00411874 0.00441533 -0.00310741 0.03682851 0.00096896 0.00783727 0.00012759 -0.00399336 0.00412887 +H 0.63054204 5.11324524 6.49506190 -0.01322848 -0.00014993 0.01368854 0.00329140 0.07319906 0.00881424 -0.00096153 -0.00868224 0.01854004 +C 2.60969117 7.36669873 5.20902310 -0.00646181 -0.00023823 -0.00000762 -0.02390173 -0.00175641 -0.02020220 0.00076684 0.00009561 -0.00567257 +H 2.85653265 4.53793475 7.04804065 -0.00981222 -0.01071193 0.00848947 0.05602844 -0.05821680 -0.05270877 0.01861291 -0.00342600 -0.02323699 +C 3.97738266 7.73402090 5.11198752 0.00009053 -0.00006543 -0.00044280 0.00223569 -0.01260345 0.01091743 0.00011036 -0.00312464 0.00355119 +H 1.86723740 7.95533777 4.70294836 -0.00509846 -0.01501952 -0.00389605 -0.07250540 -0.01306754 -0.00820988 -0.00651756 0.00667121 0.00601991 +C 4.99216552 6.86761279 5.70866625 -0.00149256 -0.00384463 0.00048048 0.02047735 0.01080664 -0.01259969 0.00621936 0.00407551 -0.00215704 +H 4.15040356 8.65369920 4.57887554 0.00054220 0.02387340 0.00342215 0.08393483 0.00627873 0.11350994 0.01885265 -0.01728585 0.02209754 +C 4.55802475 5.68568927 6.30333736 -0.00283944 -0.00185482 0.00232529 0.01131636 -0.02579752 0.03896594 0.00469009 -0.00465658 0.00761889 +N 6.39739267 7.29688441 5.72837544 0.00675759 0.00323158 0.00224338 -0.00943991 0.01880405 0.00738174 -0.00874961 0.00244759 -0.00020093 +C 3.21034358 5.34822589 6.44530834 0.00335986 -0.00164064 0.00085931 -0.01912594 0.00146121 -0.00643504 -0.00573573 0.00114319 -0.00193031 +H 5.33551967 5.14043720 6.77046580 -0.00690256 -0.03697524 0.01707141 -0.14569191 -0.20304346 0.05786670 -0.02706486 -0.00862871 -0.00470497 +C 7.60165420 6.82312960 6.07396215 -0.00181852 -0.00038753 0.00143463 -0.01897595 -0.00626698 0.02337744 -0.00137501 -0.00019724 0.00505950 +H 6.51199925 8.27074656 5.47461505 0.00210928 -0.00859265 0.00717994 -0.00731810 0.02384026 -0.02270052 -0.00421084 0.00732261 -0.01061516 +O 7.84660757 5.73691576 6.55121225 0.00684037 -0.00043540 0.00128039 0.03629744 -0.01616544 0.00830317 0.00310793 -0.00372787 0.00096062 +C 8.68932693 7.79132133 5.99483663 0.00348446 0.00703143 -0.00449376 0.02891225 0.04045221 -0.03476315 0.00544200 0.00185072 -0.00478612 +H 8.88971515 8.06108972 4.95308909 -0.00994657 -0.02344018 0.00849108 -0.08479914 -0.00646635 -0.08293211 -0.01499835 0.02771195 -0.02173362 +H 8.47897822 8.68469460 6.58639976 0.00991064 -0.01429004 0.01865814 0.12342985 -0.04358831 0.11753068 0.02417400 0.00247743 0.00496633 +H 9.55352755 7.25699030 6.30909849 -0.00525895 -0.00233801 -0.03738572 0.12017218 0.02410299 -0.13637387 0.01436507 0.01921151 -0.00892545 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.06116201 5.61965181 5.82433705 0.00254661 0.00027999 -0.00366140 0.00046934 -0.00784285 -0.01540496 -0.00061271 -0.00210983 -0.00010894 +C 2.33674580 5.92836449 5.99816727 0.00740887 0.00168239 -0.00413264 0.03144610 0.03577673 -0.05062222 -0.00126685 0.00596755 -0.00683276 +H 0.65059429 5.70127296 4.94090559 0.00039988 0.00585284 0.00373202 0.05801459 0.07757125 -0.00928042 0.00441470 0.01647943 -0.02148215 +C 2.97544596 5.71612742 7.20089068 0.00203011 0.00147737 -0.00460767 0.01526723 -0.01238235 -0.02471050 0.00291150 -0.00361694 -0.00356507 +H 2.40021840 6.96876446 4.06100841 -0.02671105 -0.02141950 0.00701059 -0.12044314 -0.13591195 0.02634346 0.00377856 -0.00933407 -0.00013702 +C 4.34380778 5.98289520 7.22164001 -0.00478795 0.00057542 0.00399263 -0.00474172 0.00947159 0.03055884 0.00105818 0.00131458 0.00505139 +H 2.46927470 5.18658508 7.99929398 0.00373271 -0.01092033 0.01680761 0.06639941 0.06989102 0.01131080 0.00284738 0.02018331 -0.00467696 +C 5.09647910 6.49502280 6.07997074 -0.01031977 -0.00948739 0.00320883 -0.07138982 -0.06753868 0.06167898 -0.00380092 -0.00708899 0.01177121 +H 4.84682532 5.76750166 8.17594301 -0.00212300 0.01875697 0.01158846 -0.00792564 0.09278574 -0.00060842 0.00844045 0.00269633 0.00720293 +C 4.34073560 6.89726451 4.95542663 -0.00246033 -0.00212979 0.00989218 -0.01013987 -0.02233492 0.06775820 -0.00344638 -0.00449579 0.00899863 +N 6.46537840 6.58543628 6.28981092 -0.00273285 0.00268934 -0.00396207 -0.00578545 0.02534569 -0.00627168 -0.00130756 0.00436299 0.00105415 +C 2.94839114 6.65263607 4.93298584 -0.00308988 0.00328928 0.00056373 -0.00751465 0.01581638 -0.00030179 0.00104782 0.00130860 -0.00170944 +H 4.98069918 7.31277756 4.13559148 -0.00348227 -0.01612959 0.02338445 -0.14302367 -0.02573379 0.03029343 -0.01400390 0.01546694 -0.02492840 +C 7.40101348 7.37816877 5.70282414 0.00422375 0.00406506 0.00239277 0.02236217 -0.01342458 0.00444159 0.00035580 -0.00594154 -0.00398350 +H 6.79039256 6.10623425 7.12446934 0.02769139 -0.01667611 0.00358932 0.08654219 -0.02008977 -0.14601572 0.00487886 -0.00553354 -0.01673650 +O 7.19615250 7.91937375 4.65228645 0.00463381 -0.00026056 -0.00157056 0.03171988 0.01458869 -0.01796475 0.00441323 0.00378098 -0.00250431 +C 8.86077885 7.27639820 6.23675845 -0.00177519 0.00262719 -0.00364412 -0.01830791 0.00763993 -0.03018664 -0.00031971 0.00147250 -0.00171368 +H 9.11426976 6.28539532 6.59949724 0.00574758 -0.00260339 -0.00725163 -0.01160904 -0.00354174 -0.06827835 -0.01071123 0.00162026 -0.01035092 +H 9.56173564 7.55581519 5.46567433 0.01812397 -0.00457560 0.00917367 0.08164971 -0.00946378 0.03611713 -0.00658921 0.00037099 0.00170874 +H 8.93474615 7.94091911 7.04960342 0.00513299 -0.01498162 -0.02127864 0.07247202 0.05497331 0.03845729 0.00602628 0.00292464 0.00070393 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.08123676 5.70566863 5.75188946 0.00202606 0.00526410 -0.00454406 -0.00840520 0.03597954 -0.03248883 -0.00502106 0.00286813 -0.00475173 +C 2.34749071 6.13217922 5.86065102 -0.00619982 0.00197828 0.00900780 -0.02181750 -0.02375180 0.06262527 0.00090437 -0.00473231 0.00878792 +H 1.00041297 4.80042062 5.72608637 -0.00624711 0.00331398 -0.01058214 -0.03332531 0.01839180 -0.08314528 -0.00118843 0.02674090 -0.01204911 +C 2.61324351 7.45735714 6.16448944 -0.00521136 0.00115492 0.00264949 -0.00450156 0.01654763 0.00452873 0.00272596 0.00061925 -0.00123042 +H 3.15449200 4.10423152 5.50449884 0.01281115 0.02573913 0.00662147 0.01952375 -0.01155168 0.02212258 -0.00040010 0.01270585 0.00790017 +C 3.95996124 7.92174943 6.25297700 0.00454469 -0.00426253 -0.00381381 -0.00533078 -0.05586480 -0.02440851 -0.00573095 -0.00658679 -0.00264740 +H 1.78697828 8.18802129 6.17929057 0.00756434 -0.01663017 -0.00456754 -0.03067210 -0.02101725 0.04922173 -0.01463388 0.01572558 0.01568360 +C 5.01182917 6.98425277 6.10246865 -0.00810940 -0.01007581 -0.00018833 -0.01883219 -0.06798407 0.01224872 0.00558611 -0.00661860 0.00386922 +H 4.13660813 8.92905316 6.48433926 -0.02913534 -0.02070910 -0.02204427 -0.06281829 0.05695093 -0.11458012 0.01154714 -0.00868039 -0.01512125 +C 4.65973804 5.60237981 5.83184804 0.00719361 -0.00367739 -0.00295487 0.04697667 -0.01661597 -0.01214243 0.00873084 -0.00568142 -0.00021836 +N 6.35177513 7.36923280 6.35605388 0.00492407 -0.00052295 0.00334167 0.00090340 -0.01048308 0.00117017 -0.00577990 -0.00182391 -0.00270609 +C 3.34603106 5.11418571 5.73161588 0.00303248 0.00273116 0.00168475 0.02084834 0.07362433 0.01465815 0.00243221 0.01149349 0.00149406 +H 5.40242717 4.93119149 5.68998374 0.00483062 0.00247219 0.01984704 0.12870483 -0.12494976 0.11689764 -0.01557960 0.00430246 0.01288788 +C 7.44884356 6.88709455 5.78739031 -0.00114054 0.00066110 -0.00753516 0.00537774 -0.01179181 -0.05090748 0.00233840 0.00089173 -0.00301104 +H 6.59565110 8.21430200 6.82427624 -0.01137258 -0.00837347 -0.00367536 -0.15134157 0.02855471 0.07268678 -0.02544854 -0.00879917 0.00796304 +O 7.44009551 5.90746131 4.99744457 -0.00167466 0.00233112 0.00353657 -0.00313079 0.02179478 0.02377314 0.00100598 0.00180317 0.00142166 +C 8.74756861 7.56525722 6.17802727 0.00481668 0.00303803 -0.00087431 0.00438461 0.03489144 -0.00235470 -0.00254108 0.00224245 -0.00046070 +H 8.76430760 7.55768491 7.26589377 -0.02284159 -0.00946971 0.00396727 -0.06133088 -0.01226536 -0.00583768 0.01056261 0.00317166 -0.00483776 +H 9.71852474 7.22803475 5.85664634 -0.01321792 0.00214979 -0.00323339 -0.04275690 -0.10880764 -0.11276608 -0.01466653 -0.01812388 -0.01474161 +H 8.59673749 8.60941154 5.77101162 -0.00360010 0.00893707 0.00734513 0.08158132 0.01041534 0.12685927 0.02171874 0.02391913 0.01432904 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03984384 5.76553893 5.75219004 -0.00101430 0.00585894 -0.00471242 -0.01178750 0.03914896 -0.02037559 -0.00332603 0.00465364 -0.00212324 +C 2.35293900 5.99564062 5.94614260 0.00173626 -0.00459962 0.00297699 -0.01001818 -0.03167307 0.03167454 -0.00441393 -0.00429386 0.00385609 +H 0.88359239 5.47829579 4.86126215 -0.01313664 0.01145134 0.01993947 -0.13138706 0.03821639 -0.02415387 -0.01173014 0.00898862 0.00101294 +C 2.82574321 6.23696061 7.24580222 0.00128212 0.00042155 -0.00743220 0.03525391 0.03050975 -0.02222460 0.00714532 0.00668256 -0.00007840 +H 2.83469656 5.94969558 3.81894468 -0.00796084 -0.00510974 -0.01661997 0.00442880 -0.06044165 0.10751504 -0.01424819 -0.01974542 -0.00904493 +C 4.15339443 6.73001521 7.41014693 0.00329679 -0.00191841 -0.00430288 0.02576227 -0.02467267 -0.01031551 0.00411171 -0.00468315 0.00180006 +H 2.29388254 6.30943980 8.21442194 0.00712982 -0.00188845 -0.00458469 -0.10466759 -0.10865167 -0.16023289 -0.03604820 -0.02002664 -0.01803661 +C 5.03117184 6.73863947 6.30458796 0.00515138 -0.00346023 0.00553228 0.03659170 -0.02070857 0.01286198 0.00230724 -0.00331045 -0.00383740 +H 4.53360090 7.00173888 8.37345553 -0.00197680 -0.00030229 0.02359255 -0.08137213 -0.03226556 0.00686719 -0.01267754 -0.00676546 -0.01489859 +C 4.54400137 6.37096656 5.06351751 -0.00915363 0.00254159 0.00369505 -0.04699847 0.01404180 0.00200657 -0.00649072 0.00168928 0.00210383 +N 6.37464140 7.12554316 6.43459141 -0.00253676 -0.00109093 -0.00771546 -0.01171356 -0.01016175 -0.02441514 -0.00013951 -0.00108915 0.00206050 +C 3.21862552 6.08759178 4.87555517 -0.00834682 -0.00700982 0.00683931 -0.06559946 -0.05385054 0.00460116 -0.00626076 -0.00708208 -0.00048366 +H 5.14628041 6.29850381 4.09281743 0.00762140 0.00755298 0.00597224 -0.02752258 0.11021319 0.15833933 0.01377438 0.01963882 -0.01588723 +C 7.41649717 7.12925073 5.56367999 0.00051663 0.00285724 0.00744992 -0.01076626 0.00771629 0.03033046 -0.00149065 -0.00094790 -0.00112831 +H 6.64512098 7.27469226 7.38350720 -0.00719322 0.00643059 0.00101516 -0.04194747 0.08651362 -0.04425686 -0.00348268 0.01744902 -0.00965536 +O 7.32067746 6.84578379 4.36487517 0.00568368 -0.00041689 0.00173887 0.04811040 0.00272946 0.02414379 0.00744345 0.00110856 0.00539051 +C 8.73442029 7.45615657 6.22099602 0.00412738 -0.00123025 -0.00316597 0.03113740 0.02350951 -0.04109251 0.00387487 0.00618391 -0.00344488 +H 8.64993156 7.64345124 7.25413947 0.00123890 0.00827941 -0.01789596 0.05615629 0.01856133 0.03740646 0.01431490 -0.01160596 -0.00574467 +H 9.52272825 6.75085056 5.93688308 -0.00819467 0.03938912 -0.00545330 0.07038478 -0.00116592 -0.00599635 0.01772690 -0.02603234 0.00148343 +H 9.17454221 8.35353944 5.71408588 0.00017100 0.01071004 0.01031118 -0.10257030 0.08241244 0.11052629 -0.01654252 0.03043085 0.00472996 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99175348 5.71983293 5.57042977 -0.00011914 -0.00375670 -0.00064382 -0.00293756 -0.01917805 0.00473444 0.00312956 -0.00296116 0.00152540 +C 2.26642811 6.08558667 5.80756056 0.00580497 -0.00242895 0.00573623 0.05423917 -0.00418107 0.05147013 0.00576722 -0.00148509 0.00720151 +H 0.33782058 6.35903100 5.88858082 -0.00415613 0.01795669 0.00023777 0.06078860 0.01039730 -0.06654524 -0.00986207 0.01549918 -0.00554303 +C 2.60074788 7.34391990 6.43857698 0.00252707 0.00149378 0.00096891 -0.00106621 -0.01405501 0.00542656 -0.00011606 -0.00260536 0.00132662 +H 3.20505306 4.19363908 5.30973370 0.01183169 -0.01309394 -0.02524400 0.03347143 0.01519223 -0.18498274 -0.00106845 0.02823225 -0.02017342 +C 3.93627412 7.74454971 6.58779206 0.00072676 0.00598124 0.00244406 0.00631026 0.04751309 0.01707741 -0.00178351 0.00527302 0.00130743 +H 1.75602044 7.82548949 6.92371244 0.00509070 0.01115656 -0.00688764 0.07860498 0.18897223 -0.12254485 0.00983283 0.03150592 -0.02662604 +C 4.99118039 6.97198383 6.09236489 -0.00341929 0.00199705 0.00122687 0.00701464 0.03457705 0.02519797 0.00273789 0.00558136 0.00535483 +H 4.28450134 8.65570147 7.13250093 -0.02370602 0.00697038 -0.00381587 -0.25241430 0.09887158 -0.04590409 -0.02936559 0.03563251 -0.00162178 +C 4.68886081 5.70142603 5.66711115 -0.00951991 0.00152175 -0.00066446 -0.05148465 -0.01195623 -0.01106990 -0.00065792 -0.00150390 -0.00161188 +N 6.34332462 7.48028541 6.22332654 0.00239328 0.00067662 -0.00242896 -0.03249674 0.01689338 -0.01205539 -0.00771715 0.00241875 -0.00183670 +C 3.34412206 5.20307764 5.57805608 0.00504222 -0.00122266 -0.00531954 0.03103193 -0.00583986 -0.04600456 0.00096685 -0.00158550 -0.00791985 +H 5.47767970 5.02661978 5.43963731 0.01562814 0.01797881 0.00092818 -0.03039448 0.02941508 -0.03634708 -0.02473712 -0.01184936 -0.01282406 +C 7.45269735 6.92137893 5.81332707 -0.00591046 -0.00418791 -0.00133292 0.01151587 -0.03456789 -0.01681133 0.00618016 -0.00304098 -0.00194873 +H 6.37346885 8.41004203 6.57582611 0.00747301 0.02082954 0.01466292 0.10098672 -0.03527623 0.03466383 0.01386800 -0.01839059 -0.00064446 +O 7.57564688 5.82039845 5.32497864 0.00328385 -0.00022309 0.00199240 0.01044833 -0.02071025 0.00597950 -0.00024851 -0.00649620 -0.00065146 +C 8.81429171 7.56780655 5.90050743 -0.00125487 -0.00378016 -0.00237983 -0.01823352 -0.00366086 0.01262279 -0.00384952 0.00219354 0.00433568 +H 9.53826327 6.90786733 6.41252555 -0.01721217 0.00634441 0.00332844 -0.06618395 -0.04137260 0.01033091 0.00476343 -0.01799703 -0.00020628 +H 9.24594654 7.80633155 4.91419984 -0.01992424 0.00335794 0.02643003 -0.07524614 0.04451680 -0.01739899 -0.00099403 0.00440199 -0.02307314 +H 8.81190146 8.47643937 6.52372976 0.01302341 -0.01027750 -0.00538688 0.01412847 -0.00564595 -0.02551751 -0.01109105 0.01577537 0.00649441 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04489070 5.68612264 5.94912911 0.00035392 -0.00323872 -0.00178395 -0.00680225 -0.02121109 -0.00985170 -0.00086304 -0.00341320 -0.00133763 +C 2.31957004 6.06771258 5.92371165 -0.00438959 0.00237278 0.00077479 0.02503973 -0.00385280 -0.01037491 0.00791913 -0.00136386 -0.00227241 +H 0.97353083 4.76924299 5.64784853 0.02822168 0.01322705 0.00551448 0.11041944 -0.03531441 0.00278056 -0.00169336 -0.01436129 -0.00157158 +C 2.70521664 7.32262308 6.41736024 0.00551454 -0.00257678 0.00136027 -0.03319856 0.01623872 0.02909819 -0.01008007 0.00363952 0.00437600 +H 3.11683978 4.25230679 4.90524599 -0.00463814 0.02431973 0.02402362 -0.04330758 -0.04240393 0.06665289 0.00219116 -0.00979476 0.00323779 +C 3.98741008 7.85694763 6.49025500 -0.01009548 0.00454755 -0.00112870 -0.03394147 0.00797159 -0.02702139 0.00193724 -0.00435890 -0.00714104 +H 1.84482314 7.94788762 6.76296217 -0.01082885 0.02937942 0.00573358 0.13520483 0.03155754 0.03076010 0.00004366 0.00834758 0.02169090 +C 4.96274941 7.08496543 5.86217985 0.00108823 -0.00336821 -0.00416756 0.02117256 -0.03177645 -0.02886276 0.00273089 -0.00129344 -0.00142283 +H 4.21621497 8.83353414 6.92536639 0.00052034 -0.00375954 0.01889262 -0.06281096 -0.06355779 0.08668665 -0.01385099 -0.00458197 0.00511674 +C 4.61784115 5.79856759 5.24293172 -0.00008802 0.00710353 -0.00048750 0.00381067 0.04356039 0.00132332 0.00017181 0.00235740 0.00026093 +N 6.30311321 7.54662227 5.86298383 0.00238890 -0.00123643 0.00395078 -0.00527777 -0.00639688 0.04056341 -0.00364986 0.00025930 0.00680570 +C 3.33297809 5.21221967 5.35269407 0.00269364 -0.00487093 -0.00175206 0.00378646 0.03330875 0.00818948 -0.00105197 0.01135101 0.00269575 +H 5.38210827 5.26101136 4.66245208 -0.00975830 -0.00244383 0.01250461 -0.01455497 -0.03907369 0.11348141 0.01362667 -0.01102818 0.01182642 +C 7.44936093 6.82286809 5.97142708 0.00530122 0.00496476 -0.00069774 0.02309580 0.06010992 -0.02533830 0.00011224 0.00458142 -0.00551839 +H 6.35832431 8.52543589 6.06813837 -0.03636100 0.00666164 0.00027157 -0.09284619 0.00704442 -0.05136589 0.01286823 -0.00401018 -0.01223258 +O 7.52547406 5.66480781 5.91838862 -0.00131731 -0.00260383 0.00049283 -0.01053429 -0.04470684 0.00684268 -0.00155525 -0.00628300 0.00142450 +C 8.75281313 7.60707316 5.93187895 0.00056956 -0.00537798 -0.00215888 0.00998978 -0.02922665 0.00968226 0.00406726 0.00051384 -0.00097681 +H 9.32677441 7.37468305 5.09390497 -0.01445618 0.00386130 -0.00288235 -0.02002647 0.00044554 -0.13053562 -0.01236796 0.00221219 0.00466797 +H 8.57484215 8.66210352 6.02552668 0.01166941 -0.02231746 0.00419701 0.03115882 0.02027137 -0.04158965 -0.00285396 0.00786275 -0.01611379 +H 9.33968939 7.33989440 6.85756237 0.01064654 0.02768514 -0.00427002 0.06987097 0.10829387 -0.07677734 0.02194840 -0.00817407 0.00657089 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.09236444 5.70128164 6.09280067 -0.00025805 0.00138719 0.00476591 -0.02130846 -0.00192253 0.02799624 -0.00594053 -0.00432288 0.00367785 +C 2.31401377 6.12868013 5.78744742 -0.00542384 -0.00654794 -0.00057327 -0.02343690 -0.01154370 0.00003165 0.00012049 0.00537402 0.00069372 +H 1.11105705 4.81598678 6.30374908 -0.00721043 0.00409458 -0.00932499 -0.08247694 -0.05311965 -0.05968542 -0.01471729 0.01776159 -0.01480205 +C 2.57732054 7.44205717 6.11255225 -0.00062499 0.00875381 -0.00171811 -0.01618775 0.06047690 0.00270185 -0.00205296 0.00383629 0.00161183 +H 3.19872766 4.27544337 5.09604965 0.01523816 -0.00813951 0.00082249 0.01895421 -0.06587793 -0.04603612 -0.00919687 0.00714887 -0.00841423 +C 3.89552823 7.89502726 6.22978355 0.00140019 -0.00165655 0.00081898 0.01596974 0.00004194 -0.01237218 0.00097034 0.00256374 -0.00392776 +H 1.76603005 8.12693852 6.36305925 -0.01338098 0.01961006 0.02836241 0.04312176 0.01236880 0.11156448 0.00894860 -0.00067481 0.00664322 +C 4.97886091 6.98799316 5.97725705 -0.00198458 0.00575174 -0.00291538 -0.01589542 0.04410472 -0.02448164 -0.00221843 0.00166532 -0.00537314 +H 4.03233053 8.97512858 6.34911672 -0.00875639 -0.00172736 -0.00946020 0.02700184 -0.03781862 0.05997711 0.01878613 0.00319840 0.02672087 +C 4.64692832 5.74120690 5.54503333 -0.00343296 -0.00436913 0.00185861 -0.00249707 -0.04766836 -0.01494170 0.00397698 -0.00447817 -0.00470421 +N 6.31113548 7.42113212 5.96311267 -0.00142269 -0.00292852 -0.00172862 -0.01455042 0.01080472 0.00010647 -0.00187652 0.00443227 0.00161282 +C 3.33159944 5.29055085 5.35548347 -0.00042066 -0.00321543 -0.00686554 0.00053068 -0.03193459 -0.02440670 -0.00069450 -0.00722790 -0.00033544 +H 5.39284804 5.06915138 5.17959768 0.03642219 0.02108796 -0.00118641 0.12003725 0.08306786 0.06665383 -0.01110859 -0.00887070 0.01474779 +C 7.48008089 6.78414291 5.90954222 -0.00044694 -0.00349746 -0.00227311 0.00612631 -0.01174840 -0.00478542 0.00188942 0.00048715 0.00101946 +H 6.44045574 8.38545508 6.10633274 0.00988557 0.03037996 0.02148554 -0.01142839 -0.03232186 0.07066406 -0.00991191 -0.02093515 0.00101207 +O 7.66238445 5.58602974 5.86463966 0.00636577 -0.00146393 0.00077075 0.04021333 -0.02092126 0.00274798 0.00496595 -0.00401786 -0.00000011 +C 8.68026198 7.69566822 6.00304521 0.00074552 0.00230807 0.00155049 0.00131406 0.01278880 0.01414754 0.00106085 0.00527273 0.00452211 +H 9.22944418 7.54617999 6.86196806 0.01857540 0.00657205 0.01000811 0.11781576 -0.01634395 0.03512986 -0.01342848 -0.00312222 -0.02747852 +H 9.23110613 7.57094445 5.06715986 0.00025815 0.00309743 0.01996264 0.12165659 0.01338314 0.06984834 0.02305892 0.00087990 0.00310187 +H 8.36265328 8.66145036 6.05149560 -0.00680452 -0.00359667 -0.00397251 -0.04651090 0.13611562 -0.03369670 0.01274450 -0.01387771 -0.00494221 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98180209 5.76702921 5.80344627 -0.00456351 0.00313421 -0.00334371 -0.02773745 0.01773445 -0.02729915 -0.00152378 0.00330936 -0.00234995 +C 2.30894585 6.09400185 5.84709385 0.00411026 -0.00371575 0.00478473 0.01213943 -0.03629352 0.03352491 -0.00210462 -0.00461119 0.00508334 +H 0.63432141 5.34450194 4.99402568 -0.01448455 -0.02260954 -0.00057907 0.03218904 -0.13583307 0.10016056 0.00903268 -0.03830880 -0.00355137 +C 2.62114133 7.41272503 6.18751191 0.00520554 -0.00692726 0.00208169 0.04087617 -0.02899000 0.00463154 0.00286590 0.00054681 -0.00031242 +H 3.14013724 4.09960306 5.49552560 -0.00966676 0.02085427 -0.00894875 -0.04972290 0.01973562 -0.12468056 0.00295184 0.00634669 -0.01813457 +C 3.94215167 7.90203833 6.21198316 0.00382390 0.00280270 -0.00361838 0.00080238 0.02650840 -0.00321486 -0.00258670 0.00174998 0.00169090 +H 1.85858967 8.10481117 6.35732448 0.01281799 -0.00358098 -0.01879805 -0.02435057 0.00444711 -0.04575658 0.00519915 -0.01665087 0.00206629 +C 4.97713893 7.03293110 5.92075500 0.00510327 0.01077975 0.00816591 0.02025778 0.01050096 0.03824715 -0.00052519 -0.00940064 0.00226518 +H 4.07159297 8.93789204 6.59809940 -0.02319149 0.00637847 0.00473669 -0.05632148 0.00683397 -0.10861760 0.01097400 0.02265964 -0.02482838 +C 4.67613490 5.68767150 5.62863657 -0.00221978 -0.00236422 -0.00067052 -0.01313113 -0.02191805 -0.00110976 -0.00210530 0.00176432 0.00215980 +N 6.26228188 7.47375615 5.87840932 -0.00537218 -0.00209401 -0.00314593 0.01407753 0.00948358 -0.00996442 0.00717864 0.00453381 -0.00030130 +C 3.34625233 5.14160122 5.62584081 -0.00055953 -0.00137808 0.00187659 0.00296846 0.02667330 0.01581794 0.00058239 0.00430118 0.00124390 +H 5.49414397 4.93196935 5.38088971 0.00582941 0.01659705 0.00073736 -0.00985959 0.11973036 0.01344556 0.01946434 -0.01744481 -0.00905121 +C 7.48868249 6.81864254 5.98058176 0.00154896 0.00774597 -0.00930232 -0.01637532 0.03544026 -0.06578337 -0.00371319 -0.00307156 -0.00752281 +H 6.36834772 8.48043414 5.91397509 -0.02512286 0.01121757 -0.01268366 -0.13428392 -0.01422990 -0.11793436 -0.00281010 0.00228122 -0.01925568 +O 7.67989415 5.62813261 6.07219771 0.00180576 -0.00736132 0.00038708 0.00132934 -0.03954712 0.00314024 -0.00197732 -0.00088465 -0.00009524 +C 8.72628778 7.66277361 5.83628327 -0.00102199 -0.00154378 0.00532539 -0.00275881 0.00641029 0.03677893 0.00039731 0.00300388 0.00643836 +H 9.22580557 7.32374199 4.88945601 -0.02053049 0.00634762 0.01797856 -0.02319655 0.03160648 0.05523531 0.02087430 -0.00055955 -0.01472104 +H 8.57895184 8.76153061 5.75514822 -0.00211528 -0.01584712 0.00506126 -0.09865120 -0.03996939 0.01267416 -0.02257657 0.01736487 -0.00086916 +H 9.37987494 7.53627395 6.67446050 0.00434629 0.01249671 0.00015021 0.05415348 0.00367400 0.03564338 -0.00162736 -0.00904989 -0.00028156 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.90671983 5.67946245 6.00696633 -0.00528948 0.00079090 -0.00043259 -0.01645128 0.00780446 -0.00690822 0.00075700 0.00191936 -0.00251543 +C 2.25656453 5.93845205 5.95004920 0.00278459 0.00091805 0.00437834 0.00953255 0.01668700 0.01931473 -0.00091546 0.00421126 -0.00006332 +H 0.45106735 5.89712279 5.19279133 0.01122484 0.00070419 0.01503794 -0.00691415 0.04204622 -0.02572947 -0.00402050 0.00603389 -0.00458849 +C 2.96349479 5.66181090 7.11201831 0.00267754 -0.00064446 -0.00564729 0.02881333 -0.00723015 -0.01757163 0.00470634 -0.00142087 0.00142740 +H 2.46466248 6.69824420 3.93436318 0.01296361 -0.01787907 -0.02772777 0.10604378 -0.06478898 -0.02911869 0.00984944 0.00216415 0.01782965 +C 4.34036508 5.97209997 7.16737022 -0.00260169 -0.00435117 0.00336322 0.01929515 -0.03632427 0.02643485 0.01087373 -0.00510465 0.00515950 +H 2.50478882 5.19192188 7.97394238 -0.00543388 0.01115417 0.00210306 -0.04589278 0.08793595 -0.03327546 -0.00686806 0.00776008 -0.00498619 +C 5.09859276 6.50793387 6.11161234 0.00099206 0.00084310 -0.00180337 0.00768651 0.01296218 0.00765385 -0.00078351 0.00202471 0.00337092 +H 4.87082085 5.68870125 7.99181902 0.03768622 0.00339213 0.00774510 0.08523665 0.04498557 0.08400495 -0.03422226 0.01285603 -0.00889619 +C 4.44158839 6.81530378 4.93353254 0.00128185 -0.00733689 -0.00351165 -0.03437049 -0.05694130 -0.02082954 -0.00718413 -0.00752302 -0.00355871 +N 6.46816275 6.78889975 6.36450527 -0.00006448 0.00273596 -0.00096811 -0.01350964 0.00938824 -0.01434690 -0.00422539 -0.00115609 -0.00118433 +C 2.98384347 6.51601507 4.85351385 -0.00282919 0.00498871 0.00624229 0.00955545 0.03118344 0.02085174 0.00388640 0.00235100 -0.00008660 +H 5.07553741 7.26876023 4.23057570 0.01582791 -0.02303750 -0.00817544 -0.09410367 -0.16908495 -0.19569049 -0.04993527 -0.03199206 -0.02047502 +C 7.46165427 7.38223486 5.63516142 -0.00154923 -0.00774289 -0.00390004 -0.02159803 -0.06239915 -0.00065611 -0.00214224 -0.00659693 -0.00036910 +H 6.78523480 6.41166712 7.22551061 -0.01802002 0.00860825 0.00788891 -0.06825795 0.07902177 0.05147809 -0.00237830 0.01773868 -0.00656326 +O 7.32504133 7.92083348 4.57444302 0.00248160 0.00799029 -0.00076834 0.01651950 0.05778149 -0.01339233 0.00195663 0.00693299 -0.00106088 +C 8.79888351 7.22831440 6.31045022 0.00166458 -0.00150331 -0.00177127 0.01067726 -0.00504922 0.00244886 0.00068622 -0.00098361 -0.00042406 +H 9.24270784 6.35209630 5.86640687 -0.00070687 -0.00015877 0.02510307 0.08970286 -0.06887163 0.13992426 0.02025636 -0.00116794 0.01787289 +H 9.45703520 8.06236348 6.03677363 -0.01115449 0.01280377 0.02859929 -0.06633744 0.08611325 0.18782736 -0.00469340 0.00901995 0.01833128 +H 8.76943530 7.08531808 7.43719333 -0.02576704 0.00371521 0.01351310 -0.16544065 0.06750959 -0.10643544 -0.02110258 0.00855314 -0.00031663 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04406950 5.72285373 5.85736176 -0.00403416 0.00216060 -0.00333070 -0.03322811 0.01821853 -0.01687922 -0.00199027 0.00172827 -0.00322864 +C 2.31498429 6.08338900 5.80808786 0.00584734 0.00362541 -0.00426412 0.03824825 0.02948168 -0.01069194 -0.00089164 0.00236738 0.00085311 +H 0.56401832 6.39451914 6.38527672 0.01236604 -0.00478538 0.04071608 0.07421774 -0.18042092 0.17637357 -0.01193316 -0.01941106 0.03655454 +C 2.64152117 7.40846813 6.26920508 -0.00916819 -0.00018968 0.00312479 -0.06613623 -0.01689038 -0.00645872 -0.00725483 -0.00147778 -0.00298455 +H 3.04734927 4.11147910 5.37377455 0.01620900 0.00984220 0.00084503 0.15654334 -0.00525966 -0.05074669 0.01678921 -0.00500357 -0.01209831 +C 3.93148661 7.86822777 6.15993218 -0.01130658 -0.00008788 0.00163522 -0.03528658 -0.00085684 0.02922978 0.00293540 -0.00123542 0.00478779 +H 1.87443381 8.12620551 6.53476328 0.01304933 -0.01301335 0.01184542 -0.05963573 -0.04174916 0.15214841 -0.02363519 -0.00837173 0.01875845 +C 4.94789485 7.00235094 5.80153223 0.00813598 -0.00340353 -0.00014365 0.05716265 -0.00168486 0.00856599 0.00250320 0.00171555 0.00317464 +H 4.20639682 8.78277708 6.65101352 0.01792052 0.01026257 -0.01159056 -0.01873407 0.08979692 -0.20350051 -0.02728628 0.01078411 -0.03683814 +C 4.65976421 5.66259420 5.51772877 0.00610034 0.00446244 0.00277179 0.05556054 -0.01752864 0.01545299 0.00625060 -0.00695091 0.00238382 +N 6.28694543 7.51780361 5.86252794 -0.00514140 -0.00224297 -0.00081543 -0.02314877 -0.03672918 -0.01284025 0.00166001 -0.00460550 -0.00285148 +C 3.35869938 5.14951643 5.52561704 0.00040010 -0.00110014 0.00060029 -0.00253968 0.02821118 0.00567130 0.00322195 0.00803977 0.00029262 +H 5.45422884 4.94813833 5.36049649 0.03155020 -0.02106520 0.01046909 0.02034640 0.01733356 0.03696298 -0.00708377 0.00643049 -0.00463690 +C 7.45060518 6.82297398 5.93557341 0.00364559 0.00005804 -0.00169135 0.03282512 0.01336431 0.00472039 0.00325656 0.00314278 0.00316244 +H 6.43791094 8.48938398 5.82525787 -0.01917606 -0.00387939 -0.01046357 -0.16290915 0.00970666 -0.05366972 -0.02128636 -0.01952613 -0.00247764 +O 7.63260506 5.61048639 6.10627472 -0.00112201 0.00056410 0.00007102 -0.01656106 0.00881742 -0.00411491 -0.00297426 0.00194864 -0.00115780 +C 8.72788265 7.69463210 5.95547216 0.00118603 -0.00137655 0.00048655 0.01698795 -0.00629287 0.01347463 0.00217334 -0.00135119 -0.00014528 +H 9.37626968 7.46454714 5.10837877 -0.00851739 -0.01064723 -0.00165550 -0.07987664 -0.06914836 -0.03476189 -0.01234256 -0.00740202 -0.00630672 +H 8.50651818 8.78056309 5.93870308 -0.00734402 0.00451442 -0.01849422 -0.02032660 -0.06436109 -0.10861891 0.00154100 -0.00443610 -0.00893218 +H 9.34646498 7.51000850 6.86939412 0.03954540 -0.00699679 0.01137516 0.04859819 -0.00592833 -0.11705981 -0.00433988 0.00192979 -0.01210116 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98766689 5.70958294 5.93547170 -0.00275357 0.00574454 0.00683884 -0.02415205 0.05137294 0.04976981 -0.00531298 0.00690152 0.00699843 +C 2.29257659 6.15271544 5.90553353 -0.01452628 -0.00356727 -0.00282894 -0.06103023 -0.00206636 -0.01443257 0.00113717 0.00126798 -0.00177041 +H 0.90019727 4.76922729 5.75765632 0.00566761 0.03016065 -0.00224867 0.00301182 0.05269339 -0.04367910 -0.00610168 0.00446591 -0.00436642 +C 2.64096762 7.54120574 6.11325216 -0.00337730 0.00089240 -0.00347706 -0.04429865 -0.02897429 -0.02981590 -0.00815936 -0.00790325 -0.00484801 +H 3.07841915 4.15436118 5.53739722 0.03187448 0.01505068 0.03195747 0.11863840 -0.07865403 0.21551047 -0.00001820 -0.02566173 0.02299652 +C 3.98127962 7.97527826 6.03941906 -0.00905443 -0.00251121 0.00510308 -0.02572388 -0.03472830 0.02723093 0.00110527 -0.00631569 0.00203987 +H 1.81935887 8.23000807 6.33483245 0.00520242 -0.00770900 -0.00850823 0.01070468 0.03485682 -0.06542525 -0.00685107 0.01585138 -0.00930220 +C 5.01721639 6.99805759 5.81893818 0.00304916 0.00197935 -0.00314199 -0.01415136 -0.02775301 -0.01581912 -0.00649606 -0.00690687 -0.00125432 +H 4.27793905 8.96546277 6.21443168 -0.00418416 0.01500404 -0.00462170 -0.12299647 0.03443414 -0.03696319 -0.02853391 -0.02418234 -0.00548535 +C 4.66532705 5.58997438 5.71915299 0.00075798 -0.00289471 -0.00689676 -0.01216731 0.02357564 -0.04625874 -0.00208358 0.00599559 -0.00644135 +N 6.33651490 7.36592924 5.87882774 0.00306221 -0.00314906 -0.00742723 -0.00327797 0.01600146 -0.03872857 -0.00285077 0.00686732 -0.00300205 +C 3.30084693 5.21369687 5.72696577 0.00294175 -0.00639393 -0.00177468 0.02183026 -0.02412046 -0.01165442 0.00010734 0.00027732 -0.00041776 +H 5.40136852 4.80816980 5.62616804 -0.02296475 0.01286521 0.00327769 0.01477777 -0.01787747 -0.02232133 0.01183851 0.00147303 -0.00802909 +C 7.48238196 6.78520665 5.92372197 0.00311755 -0.00175228 0.00616070 0.03823034 -0.00683322 0.01856225 0.00587374 0.00110823 -0.00094630 +H 6.42220049 8.35116348 6.01220990 -0.00626181 -0.00914561 0.01121527 -0.00642144 0.01046244 0.06485245 0.00245430 0.00455094 0.00341312 +O 7.68687575 5.62851706 5.66471751 0.00834285 0.00444725 -0.00032403 0.06083170 0.00774605 -0.00102616 0.00894888 -0.00250186 0.00002752 +C 8.61473668 7.73487647 6.16695480 0.00432390 -0.00175066 0.00289146 0.03063634 -0.00697121 0.03783728 0.00520239 0.00013695 0.00952099 +H 8.63033220 8.63095546 5.52450707 0.00763682 0.00252959 0.00799806 0.01494824 -0.01368137 0.06475487 -0.00475217 0.00053678 0.00363862 +H 8.45309667 7.96999703 7.19211758 0.01865110 -0.00235272 0.01099479 0.17932176 0.07278089 0.06761442 0.02896036 0.01306296 -0.00761831 +H 9.58374897 7.20678250 6.12064561 -0.01475193 0.01622234 -0.00302479 0.04585377 0.02965233 -0.07053218 0.02438592 -0.00831931 -0.01598667 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02422313 5.72099996 5.96382887 -0.00163032 -0.00000598 0.00046027 -0.00880609 0.01151003 -0.00892434 -0.00215797 0.00213607 -0.00184136 +C 2.36898913 6.09183625 6.00507090 -0.00460553 -0.00303169 0.00647587 -0.07491683 -0.03820063 0.00698236 -0.01051841 -0.00661574 -0.00413344 +H 0.58424356 6.02784209 5.19495547 0.00106695 0.02668279 -0.01743797 0.06235166 0.10218280 0.02976113 0.00243647 0.01240400 0.00357615 +C 3.03993938 5.68817560 7.12720972 -0.00838921 0.00094756 0.00181007 -0.04031696 -0.00219144 0.03590576 -0.00240172 -0.00278644 0.00928966 +H 2.49461418 6.64649376 3.90605826 -0.00955243 -0.01501402 -0.00347748 -0.08196909 0.00011379 0.03113447 0.01162999 0.01018660 0.03381249 +C 4.37716579 5.89516199 7.25546258 0.00189463 -0.00035620 -0.00441462 0.03664146 0.01503876 -0.06713031 0.00628952 0.00340903 -0.01067846 +H 2.56249436 5.16973650 7.88184050 0.01455814 -0.02268454 0.00708134 -0.01347047 -0.07278681 0.09599759 -0.00383457 0.02174061 -0.00475103 +C 5.09197945 6.41541985 6.08346157 0.00039879 0.00560653 -0.00416657 -0.00466316 0.04191247 -0.00960928 -0.00013299 0.00622629 0.00103281 +H 4.80751978 5.64814158 8.17649597 0.02291646 0.01305826 0.00245831 0.16807025 0.04864201 -0.07639589 0.00866601 0.00320176 -0.04290154 +C 4.37824640 6.81825313 4.86848159 0.00583119 0.00525862 0.00031724 0.02442852 0.01861761 0.03249418 0.00166692 0.00101765 0.00472642 +N 6.46530036 6.56867581 6.29101270 -0.00067876 0.00043888 -0.00261347 -0.00972066 0.00553581 -0.01866027 -0.00206919 0.00149772 -0.00285783 +C 2.96287798 6.57710179 4.83074325 0.00435863 -0.00803524 0.00055671 0.05742067 -0.05388759 0.01428362 0.00663240 -0.00727603 0.00267442 +H 4.88413080 7.29156614 4.07637235 -0.00479695 0.00006838 -0.00509572 -0.00034671 -0.04407579 -0.08703283 -0.00525464 -0.02057719 0.00835068 +C 7.40498727 7.27106007 5.64203685 -0.00135535 -0.00214908 -0.00081951 -0.00298414 0.00135945 -0.00719752 0.00066980 0.00205488 0.00067818 +H 6.78688229 6.16967241 7.17587482 -0.01332688 0.01210793 -0.00522397 -0.04027325 0.04893395 0.00350218 0.00412321 -0.00035150 0.00854382 +O 7.21022537 7.89198745 4.59010188 0.00324613 0.00057114 0.00342732 0.02172151 0.00036455 0.02185180 0.00275377 0.00003571 0.00184926 +C 8.75206193 7.43664439 6.35172153 0.00051860 0.00167107 0.00314060 -0.01721761 0.00184044 0.02920713 -0.00158006 -0.00085732 0.00128963 +H 9.46687506 6.68943880 6.18676351 -0.01930392 -0.00749090 -0.02805721 -0.08653371 -0.08624228 -0.21237216 -0.02628040 0.01220775 -0.01682601 +H 9.16426091 8.38619285 6.25102433 0.00005417 -0.00647182 -0.01826115 0.05180346 0.04103093 -0.18777640 -0.00499367 -0.02217420 -0.01655694 +H 8.49302818 7.44269795 7.41842760 0.00823511 -0.01427118 0.00807320 0.12792191 -0.11837341 0.04101041 0.02535102 -0.01439547 0.00819944 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01887652 5.69353073 5.77296583 0.00240147 0.00369246 -0.00374572 0.00177202 0.02507044 -0.01900302 -0.00201139 0.00402929 -0.00030630 +C 2.30894813 6.02402914 5.92718473 0.00242813 -0.00426935 -0.00156377 0.02047247 0.01312162 0.02239234 0.00250790 0.00641568 0.00538548 +H 0.81129320 5.29732647 4.90117764 -0.03818363 -0.00363476 0.02536021 -0.20558741 -0.06554544 0.12032296 -0.01192813 -0.01806580 -0.00163373 +C 2.68016849 6.98722842 6.95761246 -0.00511406 0.00318840 0.00227980 0.02048343 0.00371196 -0.02201110 0.00624793 -0.00023123 -0.00490443 +H 3.04732225 4.84404375 4.26692474 -0.00313113 -0.02410348 0.02710525 -0.03206473 -0.15387162 0.15003848 -0.00220477 -0.01055148 0.01518709 +C 4.05553107 7.47183097 7.09367973 0.00775118 -0.00190300 -0.00310401 0.00478449 -0.03505743 -0.02843341 -0.00658012 -0.00419874 -0.00030790 +H 1.95375799 7.39230074 7.60194141 0.02107878 -0.01920999 -0.02693584 -0.10493306 -0.00157540 0.02356357 -0.00527251 0.00067883 -0.00050768 +C 5.04691091 6.92905838 6.21637811 -0.00352617 -0.00322898 0.00656205 -0.02360693 -0.03605496 0.02238417 -0.00064538 -0.00574571 -0.00064876 +H 4.34855294 8.18191713 7.77815596 -0.00950759 -0.00720781 0.00747961 -0.06648092 -0.00244085 0.08990493 -0.01368994 -0.02375987 -0.01708451 +C 4.60430724 5.92839960 5.27518008 -0.00102602 0.00335872 0.00277496 0.01074552 0.02614834 0.01023633 0.00175795 0.00243167 0.00016312 +N 6.37314572 7.37288875 6.28429599 0.00136161 0.00019457 -0.00040993 -0.02281853 -0.00909245 0.00145423 -0.00725126 -0.00294121 0.00069778 +C 3.27313894 5.53248195 5.06647752 -0.00331412 -0.00011857 -0.00056249 0.00110036 -0.00547689 0.00454329 0.00405926 -0.00178420 0.00250451 +H 5.33729108 5.51548131 4.59194505 0.02851674 -0.00334761 0.02360573 0.02273835 -0.06259317 0.15075384 -0.01010913 -0.01918308 0.00663748 +C 7.47890576 6.95991042 5.66210473 -0.00186639 0.00074015 -0.00425985 -0.03184869 -0.00859628 -0.04741175 -0.00547284 -0.00093160 -0.00584075 +H 6.43782274 8.11116334 6.98342495 -0.01440552 -0.01164028 -0.01214591 0.05971179 0.00825955 -0.00953137 0.02562622 0.00732726 0.00478563 +O 7.48751297 6.13900628 4.70329246 -0.00045291 -0.00017417 -0.00505364 0.00745202 0.01332172 -0.01936517 0.00228195 0.00313063 -0.00154606 +C 8.70437719 7.56240342 6.18627502 -0.00092017 0.00466079 0.00722964 0.01999819 0.00861811 0.03083707 0.00514513 0.00023978 0.00155239 +H 8.47691432 7.86518107 7.18610463 0.00975317 0.00514506 0.01029338 0.17258269 0.13494453 0.06494395 0.03111663 0.02282384 -0.01587676 +H 9.41768788 6.73659256 6.15055948 0.01578659 -0.01252251 0.00746950 0.03529947 0.06715001 0.13218706 0.00237465 0.01866751 0.02521524 +H 9.05320006 8.29214448 5.50687583 0.00682418 -0.01095763 -0.02835907 0.02572917 -0.00714717 -0.04448444 -0.00309157 -0.00537762 0.02796099 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01290238 5.86847194 5.83601738 -0.00623261 0.00303567 0.00235424 -0.03317698 0.02064286 0.01379762 -0.00438215 0.00044705 0.00177981 +C 2.36504079 6.11672017 5.86561241 -0.00658831 -0.00569487 0.00380454 -0.03726605 -0.01789492 0.02436324 -0.00421827 0.00336981 0.00295286 +H 0.84641041 4.93808075 5.84840091 -0.01441866 0.03012415 0.00838250 -0.16142258 0.01752350 0.06048444 -0.01878555 0.01022647 0.00721025 +C 2.67260266 7.50734317 5.89460190 0.00574804 0.00003252 -0.00110063 0.01234425 -0.03598523 -0.00961198 -0.00471884 -0.01051271 -0.00197782 +H 3.03174010 4.08253901 5.64051415 -0.00753304 0.02460392 0.01318076 0.03339207 -0.02925639 0.15098779 0.02180276 0.00543585 0.02823234 +C 3.97870397 7.90874524 6.03327361 -0.00727619 -0.00454631 -0.00093779 -0.00337749 -0.04196966 -0.01627205 0.00673501 -0.00953185 -0.00381872 +H 1.96847133 8.32003323 5.78747742 -0.00093340 -0.01752590 -0.02350647 -0.09161784 -0.14003167 -0.08402022 -0.01361441 -0.01851397 0.00177021 +C 5.02007852 6.94002454 5.98601412 0.00288427 -0.00762870 0.00283228 -0.00994820 -0.05638022 0.02058984 -0.00394716 -0.00354969 0.00268085 +H 4.16164600 9.00778958 6.06616916 -0.00141470 -0.00897510 -0.02214674 0.02374170 -0.09959779 -0.12536126 0.01097023 0.00576013 -0.01103235 +C 4.69544550 5.49078274 5.91633877 0.00148457 -0.00138723 -0.00710219 0.01845276 0.02682872 -0.04410428 0.00300839 0.00640420 -0.00496442 +N 6.28323844 7.47218837 6.00962987 0.00006299 0.00411419 0.00042550 0.00400004 0.01368231 0.00549036 0.00023548 -0.00174529 0.00075405 +C 3.37877091 5.05500005 5.84873137 0.00178483 0.00576564 -0.00057860 -0.03690684 0.08640604 -0.00739579 -0.00960074 0.01170221 -0.00128364 +H 5.39576769 4.66747648 5.86662082 0.00285339 0.02638963 0.00507332 0.14712191 0.11726129 0.01323334 0.01769646 0.00742717 -0.00274522 +C 7.44666212 6.85233297 5.90407607 0.00153093 -0.00186179 0.00135413 0.00654204 -0.02308706 -0.00698080 0.00143245 -0.00195189 -0.00297903 +H 6.36211195 8.47119347 6.13164095 -0.00192861 0.00049884 -0.01819816 -0.03497433 0.03468325 -0.09681214 -0.00618857 0.00285416 -0.00747627 +O 7.56141884 5.63990491 5.62179678 0.00630356 -0.00389253 -0.00262331 0.04987818 -0.01019785 -0.01123714 0.00784464 0.00072134 -0.00065924 +C 8.63370872 7.74900976 6.05278190 0.00223333 0.00513874 0.00242420 0.02081373 0.03810658 0.02968306 0.00460417 0.00139242 0.00559973 +H 9.01070871 7.57535111 7.03926758 -0.00989521 -0.01691513 0.01226779 -0.01088944 -0.08133141 0.03868046 0.00524267 0.00080147 -0.01058847 +H 9.36340390 7.41668535 5.33921654 0.00308589 0.01352004 0.00206589 0.07505466 0.13816371 -0.00292363 0.00606306 0.02550491 0.00832849 +H 8.42544600 8.84916558 6.00016817 0.00671682 0.02603506 0.01294635 0.04860009 -0.02763767 0.04472133 -0.00152160 -0.00188414 0.00319939 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98646482 5.86696063 5.97841231 0.00105970 0.00347262 0.00166681 0.00208344 0.01822681 0.00968701 -0.00014233 0.00098389 0.00329247 +C 2.34444282 5.88613460 6.00401056 -0.00364769 -0.00333829 -0.00355431 -0.01217959 -0.00195659 -0.03545974 0.00159892 0.00272031 -0.00597925 +H 0.68794847 6.18677217 5.10494599 -0.00056164 -0.00097148 -0.00839592 -0.03991970 -0.04257327 0.04611265 -0.02215496 0.00119286 -0.01400329 +C 3.07411698 5.49295074 7.15440944 0.00859313 -0.00199431 -0.00200416 0.03081297 0.00838174 -0.03555272 -0.00083038 0.00333790 -0.00638994 +H 2.33672789 6.84407769 4.04986208 0.00804751 0.03516673 -0.02141374 0.09815756 0.17668872 -0.00796566 0.01667364 0.00703985 0.02285276 +C 4.45154323 5.78819017 7.13812507 -0.00007881 -0.00086186 0.00699508 0.01899318 -0.00163574 0.03529922 0.00617327 0.00052671 0.00414703 +H 2.49076494 5.21312787 7.98889877 0.00647060 0.01469918 0.01223994 0.15706468 -0.04190944 0.06322341 0.03731180 -0.01920001 -0.01403207 +C 5.06273398 6.48819843 6.05692447 0.00393078 0.00551970 0.00458791 0.00992424 0.02777746 0.03618160 -0.00363386 0.00087486 0.00481966 +H 5.09558255 5.51386865 7.91186225 -0.00075760 -0.00879919 0.02113739 -0.10814671 -0.02157161 0.17996197 -0.03505330 0.01113571 0.00428922 +C 4.33514120 6.86141304 4.90261236 -0.00366927 -0.00629603 -0.00575356 -0.02987521 -0.04770592 -0.00580582 -0.00239709 -0.00693114 0.00595451 +N 6.38855680 6.83621112 6.34543905 -0.00155543 -0.00443945 -0.00042207 -0.01573805 -0.04258279 -0.00078862 -0.00054721 -0.00644132 0.00038877 +C 2.92927834 6.55956450 4.88572914 0.00026996 0.00099348 -0.00343025 0.01410136 -0.00053464 -0.02169693 0.00176220 -0.00099463 -0.00291327 +H 4.82433343 7.45952343 4.09056256 -0.02368063 -0.00339286 0.02042827 -0.10873088 -0.00553761 0.01780889 0.00170128 0.00680227 -0.02424203 +C 7.40525583 7.32058875 5.64723972 -0.00611562 0.00557635 0.00064300 -0.03299169 0.04201536 0.00475351 -0.00324308 0.00570555 0.00166865 +H 6.58586636 6.53603926 7.26468640 0.00495665 -0.01965314 0.00521985 0.10486488 -0.07028556 -0.03279437 0.01623231 -0.00013015 -0.01986002 +O 7.39862752 7.80982358 4.52619995 0.00444049 -0.00042334 0.00019973 0.01471339 -0.00531344 -0.00738927 -0.00062314 -0.00081029 -0.00251659 +C 8.68718721 7.35000000 6.39318274 -0.00367219 -0.00102190 -0.00089200 -0.02120422 0.02095568 0.00427924 -0.00163900 0.00347429 -0.00020354 +H 9.00841687 6.38896949 6.78352341 -0.00810852 -0.00720042 -0.01371050 -0.05867671 -0.02657591 -0.06294226 -0.00886746 0.00467427 -0.00720142 +H 9.44040259 7.76610876 5.71908967 -0.01673450 0.00343265 -0.01165301 -0.03975075 -0.03500012 -0.04124466 0.00707058 -0.01211093 -0.00001454 +H 8.48159978 8.15466485 7.16624583 0.01698912 0.01696424 0.01299887 0.21436546 -0.11005269 0.02682888 0.03316124 -0.01648310 0.02134086 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99437499 5.74949299 5.94171481 -0.00862392 -0.00025091 -0.00271436 -0.06077892 -0.00878796 -0.01275236 -0.00655145 0.00059350 -0.00184595 +C 2.27679421 6.14763029 5.83159746 -0.00447791 0.00684660 0.00939082 -0.00926597 0.02931508 0.06297577 0.00210334 -0.00131158 0.00825370 +H 0.86232659 4.90229050 6.37185334 0.01782654 -0.02956201 -0.00284613 0.11834041 -0.01885972 -0.12013133 0.00728245 -0.01606971 -0.01383920 +C 2.62243440 7.43276204 5.34875056 0.00068176 0.00176064 -0.00674716 0.01167292 -0.02404774 -0.03170437 -0.00153519 -0.00407403 -0.00270533 +H 3.09383246 4.27665442 6.64962479 0.00113397 -0.01097456 -0.02009926 -0.02922480 -0.06635047 -0.13211936 -0.00288285 -0.00701965 -0.01224006 +C 3.99801750 7.75806841 5.25668835 -0.00011275 0.00076487 -0.00117854 -0.01159483 0.03484730 -0.01478008 -0.00096984 0.00599613 -0.00202710 +H 1.82635835 8.03049775 5.04222954 0.00877253 -0.02302832 0.02065026 -0.04937964 0.09800007 0.03718979 0.01606836 0.01472875 -0.00083004 +C 5.02187368 6.91201245 5.64589231 -0.00551584 -0.00280835 0.00030649 0.00208872 -0.02072020 0.01005646 0.00407623 -0.00142328 0.00188653 +H 4.22303063 8.76219330 4.93040189 0.01056217 0.01194382 0.00705304 0.05490910 0.01411204 0.02468201 0.00177465 0.00094250 -0.00308856 +C 4.67569918 5.62695091 6.12806884 0.00270726 -0.00311813 -0.00394331 -0.00661641 -0.02589707 -0.01524434 -0.00037792 -0.00395674 0.00036790 +N 6.36261430 7.40080148 5.64441669 0.00184860 0.00292300 0.00250817 -0.00925615 -0.00087714 0.03162701 -0.00504578 0.00012612 0.00482134 +C 3.28469870 5.25633916 6.21851119 0.00600770 -0.00709691 0.00149418 0.04899104 -0.03364597 0.00460540 0.00319080 -0.00135684 -0.00102007 +H 5.33117103 4.90161079 6.53208609 0.01772460 0.01576505 0.01643563 0.13529901 0.10464743 0.01375187 -0.00211986 0.01286318 -0.01995034 +C 7.49573835 6.82904378 6.14848283 0.00197805 0.00423486 0.00225214 -0.00181901 0.06229172 -0.01161995 -0.00223396 0.00965747 -0.00320608 +H 6.50387943 8.35208541 5.42328359 -0.01174653 -0.00596393 -0.00061703 -0.07957162 0.01762834 -0.09058705 -0.00981285 -0.01768060 -0.01382856 +O 7.58416552 5.74834237 6.68038999 -0.00279447 0.00406530 0.00030041 -0.01245340 0.02247292 0.00647000 -0.00054871 0.00395328 0.00088213 +C 8.70409457 7.76549055 5.91011219 0.00190674 -0.00540893 -0.00585158 0.02270335 -0.03052482 -0.00864667 0.00792275 -0.00493795 0.00111318 +H 8.36662754 8.71072260 5.42121321 0.04073423 0.02201907 -0.00298251 0.28120139 0.03756948 0.13610802 0.02656478 0.00102427 0.02765059 +H 9.18145183 7.89460453 6.86590062 0.04943659 -0.01657634 0.02976899 0.17783215 -0.10960013 -0.14061782 0.00225023 -0.01861802 -0.05079687 +H 9.34637114 7.36494922 5.15646367 -0.01673201 -0.00728498 0.00706091 0.01237589 -0.18229231 -0.01612150 -0.00140366 -0.02732672 0.00349583 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01651690 5.65141832 5.70593405 -0.00089549 0.00315224 0.00412405 -0.02359962 0.01971933 0.03718585 -0.00340520 0.00299105 0.00401500 +C 2.28712811 6.04308535 5.70270203 0.00300386 -0.00350209 -0.00435454 0.03927609 -0.01867211 -0.00432973 0.00555582 -0.00212874 0.00440729 +H 0.65053518 5.52865330 6.57045476 -0.00852013 0.00423092 0.02844187 0.02769438 0.03952276 0.02112590 0.00164930 0.00241632 0.01345066 +C 2.87110235 6.54225855 4.51058615 -0.00280889 0.00398964 -0.00246509 0.00539945 0.01764751 -0.00159956 0.00277011 0.00129387 -0.00238540 +H 2.55991403 5.88833755 7.90488261 0.00688524 -0.02521111 0.01253680 0.09079166 -0.21933401 -0.03734670 0.00780216 -0.03541678 -0.00220871 +C 4.24786410 6.86806099 4.47467954 0.00645565 0.00143161 -0.00142926 0.00913196 0.01870991 -0.03347902 -0.00232853 0.00284627 -0.00488856 +H 2.27753787 6.67443404 3.65971513 0.01580711 -0.00968812 0.00855484 -0.01026741 -0.06735126 -0.10449190 0.00370930 -0.01011483 0.00128022 +C 5.01701009 6.82585043 5.62213888 -0.00505214 -0.00471509 -0.00211361 -0.00412155 -0.03728980 0.01791561 0.00323998 -0.00447826 0.00441240 +H 4.55187245 7.27813645 3.52056539 0.02516967 0.00466492 -0.00949162 0.22337429 -0.06046788 0.04294970 0.02763072 -0.01768967 0.01083133 +C 4.40037290 6.45787737 6.85466276 -0.00260419 0.00166874 -0.00207242 -0.02991534 0.01657501 0.00314402 -0.00429202 0.00260733 0.00430955 +N 6.38285591 7.14133762 5.55579077 -0.00256331 -0.00195864 -0.00100048 -0.00842958 0.00200876 -0.03131570 -0.00051226 0.00105072 -0.00514719 +C 3.03759711 6.03386556 6.91111281 0.00157770 -0.00564348 0.00759361 0.01369767 -0.02492114 0.02552189 0.00249912 -0.00174596 -0.00327683 +H 4.86437679 6.65500685 7.79091116 -0.00764681 0.00669036 0.01681350 0.02893036 -0.07377331 -0.00522138 0.01148247 -0.02598021 -0.02129038 +C 7.46968634 7.04536672 6.35043957 0.00021591 0.00313690 0.00064749 -0.00568392 -0.00008813 -0.01500797 -0.00124311 -0.00216389 -0.00607114 +H 6.69414776 7.50325792 4.67664743 0.01087686 -0.00537966 -0.04128525 -0.07833864 -0.11958791 -0.04060681 -0.02006747 -0.01613520 0.00169982 +O 7.54306500 6.49903704 7.46334590 -0.01027383 0.00138461 -0.00382165 -0.07728356 0.01698097 -0.02740756 -0.01154101 0.00314792 -0.00333549 +C 8.73547839 7.43800082 5.59925941 0.00888762 0.00272978 0.00599432 0.07656293 0.01259121 0.04740830 0.01030146 0.00063587 0.00701305 +H 8.69969128 8.50133140 5.28017800 0.01256707 -0.00467833 0.00096502 0.12190605 -0.00644814 0.08176556 0.02045145 0.01533768 0.02074657 +H 9.56539127 7.22988624 6.31548967 0.02746760 -0.02345662 -0.01817690 0.13408145 -0.03519151 -0.13059126 0.02341709 0.00521815 -0.00196169 +H 9.03574136 6.83227585 4.72713489 0.01500155 0.01880729 -0.01070984 -0.06318738 0.11627811 -0.01917329 -0.02837311 0.00766412 -0.00375641 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95222149 5.74469636 5.72504307 0.00507610 -0.00530676 0.00031430 0.02531359 -0.03477036 0.00725083 0.00244758 -0.00584115 0.00137767 +C 2.23840367 6.12013319 5.87142531 0.00209968 0.00306748 0.00211385 0.02691289 0.01421456 0.01380834 0.00433042 0.00064349 0.00133282 +H 0.82803092 4.87140980 5.49677979 0.00697434 -0.00782991 -0.00645473 0.06561668 -0.04570723 -0.05102011 0.01398624 0.01709788 -0.00163080 +C 2.60207138 7.35303103 6.43938875 -0.00680458 0.00292032 0.00015855 -0.03399502 0.03217691 0.00030947 -0.00033397 0.00772819 0.00015002 +H 2.96268794 4.25127482 5.08429385 -0.01092990 0.01718864 0.01237424 -0.00891978 0.06089770 -0.01789764 0.00867030 -0.00914365 -0.01917818 +C 3.96166046 7.77460918 6.46293265 -0.00147014 0.00557642 0.00546766 -0.01084694 0.03511627 0.02384946 -0.00291950 0.00330944 0.00145276 +H 1.77093166 7.94139747 6.78416331 0.00242793 0.03086342 0.00657928 0.09243074 0.18520423 -0.00907856 0.01508328 0.01074833 -0.00940193 +C 5.07347963 6.95465089 6.04436883 0.00342246 0.00353460 0.00009709 -0.03881940 0.02412166 -0.00310362 -0.01258973 0.00157980 -0.00171843 +H 4.08541512 8.84216217 6.64563138 -0.00888572 0.00653838 0.00595914 0.02951856 -0.01627635 0.17413074 0.01667024 -0.00529803 0.03955064 +C 4.63306289 5.70726746 5.47167904 0.00527190 -0.00464266 -0.00347482 0.03978993 -0.02636268 -0.00756820 0.00546011 -0.00008378 0.00283026 +N 6.37077946 7.50793413 6.09450017 -0.00258565 -0.00373815 -0.00157626 -0.00464449 -0.03422023 -0.01720133 0.00046571 -0.00770962 -0.00367055 +C 3.24613059 5.26442552 5.42889970 -0.00013501 0.00135908 -0.00340929 0.03746198 0.02621277 -0.01612472 0.01035379 0.00620267 -0.00098588 +H 5.37642668 5.02928465 5.05810461 0.03443039 0.00717501 0.02423600 0.12701058 0.02073322 0.14789365 -0.00222020 -0.00992040 0.00890675 +C 7.54318404 6.85264415 5.93978960 0.00000610 -0.00475364 -0.00717434 -0.01154630 -0.05034437 -0.05379683 -0.00406734 -0.00560696 -0.00749150 +H 6.49520034 8.51251204 6.22064041 0.01314656 0.01259248 -0.01294669 -0.02082488 -0.06716737 -0.08509540 -0.01297919 -0.00558911 -0.00778449 +O 7.66719725 5.58281120 5.83980308 -0.00556174 -0.00280954 0.00121590 -0.03589342 0.00663612 0.01112214 -0.00402176 0.00246453 0.00164639 +C 8.73729260 7.78297983 5.72920844 -0.00169755 0.00099277 -0.00271750 -0.02035507 -0.00430322 0.01147596 -0.00196990 -0.00143014 0.00678050 +H 9.00538483 8.31100024 6.58267168 -0.01536849 0.00790767 0.02997030 -0.15818614 0.01586690 0.09621670 -0.03061546 -0.01812850 -0.02354529 +H 9.61351460 7.23776374 5.41470458 -0.00403691 0.02418227 0.01781805 0.08005082 0.06185601 0.04547855 0.00929772 -0.00001437 0.00453678 +H 8.36230318 8.44284588 4.91430932 0.01762338 -0.01382448 0.02659219 0.16157678 0.10096258 0.01795601 0.02130759 0.03390166 -0.01645469 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01257435 5.61625742 5.84567982 -0.00352709 0.00310429 -0.00773600 -0.02805551 0.02684187 -0.03918469 -0.00438055 0.00441881 -0.00510152 +C 2.27930959 6.05085589 5.93734584 0.00200920 -0.00267555 0.00450298 0.03643534 -0.00997025 0.03426886 0.00635252 -0.00134276 0.00095285 +H 0.73038360 5.50108371 4.96200463 -0.01653548 -0.00400290 0.02233929 -0.12798938 -0.05974074 -0.03345928 0.00137173 -0.00387518 0.00751820 +C 2.77511295 6.55639647 7.19487776 0.00732528 0.00134640 -0.00448815 0.02255333 -0.00467551 -0.01478832 0.00052989 -0.00264016 0.00056232 +H 2.80909590 5.95911603 3.82643845 -0.02406293 0.01586271 -0.00828981 -0.13422910 -0.05334156 0.03702366 -0.00403791 -0.03009220 0.01691769 +C 4.15630828 6.88044449 7.34553198 0.00116884 -0.00058588 0.00415828 0.00446432 0.00134173 0.04445172 0.00174047 0.00002926 0.00506975 +H 2.09931712 6.65870985 8.03008820 -0.03980263 -0.01356117 0.02013615 0.01303692 -0.11331863 -0.10422646 0.02481130 -0.01375767 -0.02232011 +C 5.03262942 6.79459405 6.26180425 0.00127557 0.00808374 0.00929184 0.01150285 0.03134300 0.00464507 -0.00011584 0.00052174 -0.00685218 +H 4.47348906 7.23855406 8.33053479 0.03002363 -0.01581965 0.01595341 0.13341233 -0.15217716 -0.00636662 0.00615488 -0.01790505 0.00357358 +C 4.53932509 6.44133216 4.96220961 -0.00132670 -0.00129430 0.00007707 -0.03035891 -0.00555715 0.02937266 -0.00484696 -0.00006673 0.00633260 +N 6.38886848 7.09745624 6.41591038 0.00070916 -0.00022855 -0.00642273 0.00649928 0.01421545 -0.02965008 0.00238518 0.00425524 -0.00261662 +C 3.14942351 6.05331079 4.83796532 -0.00159501 -0.00904942 -0.00150803 0.01042309 -0.03663695 -0.01932485 0.00227203 -0.00131708 -0.00148578 +H 5.16387337 6.55098889 4.10560051 0.01141358 0.00350610 0.00149281 -0.00538474 -0.05104930 0.02051243 -0.02002451 -0.01679448 0.01247476 +C 7.46233413 6.96493439 5.58657960 0.00859430 0.00535209 -0.00193186 0.03872477 0.04162901 0.01880796 -0.00111961 0.00316074 0.00413569 +H 6.50869012 7.56604463 7.29975196 0.00291750 0.00496820 0.01358201 0.11005942 -0.02687283 -0.06764708 0.02436689 -0.00288315 -0.01206922 +O 7.55736395 6.30153300 4.55736136 -0.00349444 -0.00088490 0.00125746 -0.02290767 -0.00007879 0.01090870 -0.00240570 0.00166603 0.00266844 +C 8.67572504 7.76503516 6.17173598 -0.00342153 -0.00274048 0.00082655 -0.03909108 -0.02367383 -0.00869791 -0.00245278 -0.00461474 -0.00280624 +H 9.05425712 7.24965794 7.02734440 -0.00838222 0.00017890 0.00020856 0.02048432 0.00028684 0.03098344 -0.00005585 0.01101570 -0.00344665 +H 9.33669489 7.82659845 5.31838258 -0.01963544 -0.00115030 0.02650703 0.12805786 -0.04836483 0.07263359 0.03351750 -0.01419958 0.00664717 +H 8.45867412 8.83038317 6.43463094 -0.00152109 -0.00340335 -0.03007557 -0.07011080 -0.04386466 -0.14598486 -0.01965461 0.00749087 -0.00472756 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.08469655 5.54181041 6.01656899 0.00396464 0.00499674 -0.00011837 0.02078230 0.04995547 0.00245025 0.00033878 0.00564265 0.00008868 +C 2.33748924 6.11888841 5.91343602 -0.00598992 0.00110927 0.00454323 -0.01593301 -0.00329494 0.02271606 0.00290927 -0.00148663 0.00188769 +H 1.04090010 4.66364564 5.74417818 -0.00202638 0.01760431 0.01776131 0.00315450 -0.01076352 0.06859248 0.00611521 0.02373461 0.01320596 +C 2.62946158 7.39851681 6.45018558 0.00300357 -0.00491088 0.00551862 -0.02842800 -0.03420344 0.03103573 -0.00610767 -0.00582760 0.00214328 +H 3.05904647 4.36782839 4.86503705 0.00413021 0.01099779 -0.01368730 0.13358615 0.14106419 -0.08608971 0.01559347 -0.00709100 -0.02123272 +C 3.93969786 7.81208297 6.49814110 -0.00209036 -0.00585290 -0.00339044 0.00565843 -0.01893196 -0.01631633 0.00238717 -0.00362011 -0.00298573 +H 1.79065642 8.05317668 6.77706410 -0.03054694 0.01256761 -0.01984906 0.03252044 -0.07493246 -0.06162230 0.00302852 -0.00491877 0.01798868 +C 4.96411861 7.05824845 5.93604577 -0.00361087 -0.00649711 -0.00213796 0.01318727 -0.03711485 -0.02828654 0.00700633 -0.00156620 -0.00462532 +H 4.18047454 8.80600790 6.97900909 0.02289341 -0.01585771 -0.01281620 0.08717887 -0.09540468 -0.08644096 0.00596693 0.02407671 0.00522424 +C 4.62021152 5.86779083 5.22864152 0.00688007 0.00118569 -0.00560870 0.07579742 0.00532352 -0.02596379 0.00845125 -0.00098723 -0.00077698 +N 6.29826658 7.55093756 5.98464776 0.00008743 0.00603856 -0.00201237 -0.03007373 0.00101400 -0.01737722 -0.00691912 -0.00563491 -0.00307008 +C 3.36207706 5.37290257 5.27289940 0.00722204 0.00698000 0.00236083 -0.00357844 0.03513144 0.02029003 -0.00374744 0.00599997 0.00331726 +H 5.42950447 5.27582033 4.75304968 0.00461280 -0.01682863 0.01422118 -0.02656150 -0.08266740 0.03960014 0.01059415 -0.01491874 -0.01489921 +C 7.44589962 6.84152372 5.87939610 -0.00817381 -0.01052462 0.00298518 -0.03289694 -0.05848868 0.02600334 -0.00047297 -0.00061456 0.00473181 +H 6.29964202 8.54535057 6.22600530 -0.02269354 -0.01831343 -0.02798412 0.02410634 0.05766181 -0.15928529 0.02493199 0.01308668 -0.01756675 +O 7.54103115 5.59749776 5.73843770 0.00153093 -0.00073022 -0.00134539 0.00034514 -0.00189045 -0.00872853 -0.00144094 -0.00175117 -0.00119517 +C 8.75803626 7.57331239 5.99497280 -0.00323897 0.00194868 0.00321969 -0.01906986 0.03876452 0.01878330 -0.00424648 0.00653685 0.00202711 +H 8.67163249 8.41464264 6.69908202 0.00776165 0.03348580 0.00259980 0.05513831 0.05068596 -0.06599448 0.00149552 -0.00514595 -0.00500227 +H 9.64760553 6.96002004 6.22619740 0.00224346 0.01064198 -0.00214821 -0.06589379 0.02655623 0.06532903 -0.01083366 -0.00492085 0.01831619 +H 9.05235167 7.95727497 4.99963144 -0.00334276 0.01141904 0.00384494 -0.09795465 0.07845324 0.05195746 -0.01688443 0.01128753 -0.00395790 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96252723 5.84165402 5.94878254 -0.00118625 -0.00239927 -0.00036069 -0.00867986 -0.00720108 -0.01724091 0.00063884 0.00021420 -0.00216904 +C 2.28489495 6.11728286 6.00314379 -0.00262130 0.00364452 -0.00259034 0.00877509 0.02109446 -0.01274834 0.00377968 0.00141010 0.00133866 +H 0.63399829 5.97781953 5.03130134 0.03458662 0.03000822 -0.01752047 0.17098969 0.15404203 0.02456674 -0.00547509 0.02189108 -0.01956501 +C 2.97245052 6.06297810 7.21893247 0.00512085 -0.00311760 0.00043329 0.00003837 -0.03862602 0.01102647 -0.00380850 -0.00626878 0.00186167 +H 2.48315183 6.42851000 3.86204264 0.01217321 -0.01517779 0.01782995 0.10373763 -0.13384197 0.00047684 0.00654076 -0.01869333 -0.02714743 +C 4.36903617 6.10092143 7.31179878 -0.00168531 -0.00366352 0.00536606 -0.00045679 -0.00774064 0.01731045 0.00180249 0.00086421 0.00226119 +H 2.30033527 5.78945045 8.03430457 0.00433302 0.01574024 0.00796326 0.13272022 0.14771521 0.12288816 0.01985591 0.01667197 0.02584034 +C 5.10379747 6.33879568 6.11676349 -0.00349019 0.00446464 0.00547403 -0.00371344 0.02571677 0.04378330 0.00143012 0.00291762 0.00281136 +H 4.88304406 6.06379347 8.22975000 -0.00102681 -0.00385600 0.00244931 -0.03432002 -0.06852062 0.08676655 -0.01713192 -0.01056770 -0.00183398 +C 4.40557573 6.40606566 4.90479429 -0.00381149 -0.00043720 -0.00141803 0.01267469 -0.00156875 -0.02280688 0.00633531 -0.00045512 -0.00270863 +N 6.51668093 6.50145040 6.28833803 -0.00366431 -0.00244515 -0.00140054 -0.03760043 -0.00533554 -0.01363128 -0.00523358 0.00126201 -0.00071603 +C 3.03002641 6.32229311 4.82249073 0.00932196 0.00214411 0.00075930 0.02067502 0.01138933 0.01946149 -0.00251058 0.00063085 0.00449380 +H 4.98935218 6.49544118 3.99309322 -0.04177748 -0.03090576 -0.02848718 -0.20691123 -0.12059438 -0.12890900 -0.00072224 -0.00028955 -0.00515240 +C 7.40603608 7.26675042 5.62032425 -0.00139640 -0.00200764 -0.00343807 -0.00306181 -0.00664421 -0.02824122 0.00028323 -0.00029490 -0.00361937 +H 6.90540120 6.20561719 7.14644566 -0.01831071 0.01368495 0.01265411 -0.14790254 0.06663627 0.07484848 -0.02205598 0.00955678 -0.00972344 +O 7.34283577 7.75971565 4.48996670 0.00079067 0.00184389 -0.00467833 -0.01273039 0.00259898 -0.02788249 -0.00422191 -0.00114672 -0.00316986 +C 8.65899725 7.62484923 6.36057663 0.00112920 0.00144653 0.00501437 0.01480949 -0.00426704 0.01815237 0.00306221 -0.00072828 -0.00004885 +H 9.46293705 7.15624858 5.77674791 0.01111566 0.02125321 0.00184774 0.08883775 0.15910498 0.04826044 0.01580002 0.01732306 0.00451188 +H 8.77212652 8.70286433 6.32877242 0.01059562 -0.01412413 0.01574760 0.07454292 0.01356502 0.15869903 0.00200171 0.00469462 0.02667717 +H 8.68967862 7.22121357 7.40387177 0.01491643 -0.00330802 -0.02744097 0.08792290 -0.06322111 -0.02935887 0.00716916 -0.02039313 0.02494249 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97358366 5.76897316 5.92174684 -0.00147446 -0.00499632 0.00524510 0.00718685 -0.03055917 0.01463814 0.00353665 -0.00357711 0.00146235 +C 2.34614244 6.05067012 5.92356317 -0.00175850 0.00052486 0.00355943 -0.02352211 -0.00694971 0.03684540 -0.00403601 -0.00175428 0.00496169 +H 0.66118120 5.66825246 5.02870813 -0.00958608 -0.00700736 -0.01569771 -0.03992149 -0.00938687 0.07041724 -0.01309229 0.00103317 -0.00203972 +C 3.05112315 5.68388492 7.11200015 -0.00456234 0.00617970 0.00425197 -0.05320373 0.02978720 0.02667625 -0.00893374 0.00129791 0.00420233 +H 2.57371718 6.81626038 3.88257771 0.01015153 0.01707710 -0.02872187 0.10338263 0.08440015 0.05278636 0.00509739 0.00551211 0.02803959 +C 4.41767035 5.87856938 7.26646871 -0.00505324 -0.00191852 -0.00014442 -0.01264424 -0.00492207 -0.02438408 -0.00084025 0.00070158 -0.00755824 +H 2.50581810 5.17835804 7.86875773 -0.01252886 -0.02547893 -0.01128606 -0.05497911 -0.05884942 -0.01457556 0.00207336 0.01589859 0.00343299 +C 5.11851669 6.36979600 6.13511652 -0.00790510 0.00586068 -0.00727666 -0.02514650 0.04024296 -0.02842312 0.00120415 0.00471740 -0.00027005 +H 4.98804053 5.65072199 8.16018719 0.01015206 -0.00802021 0.00749491 -0.07460569 -0.09529945 -0.03963095 -0.02100490 -0.01867461 -0.01165198 +C 4.43053658 6.82227379 4.99124044 -0.00151015 0.00016071 -0.00777284 -0.00569961 -0.00255263 -0.05341051 0.00154468 0.00026472 -0.00692402 +N 6.52698820 6.45376161 6.21056902 -0.00247486 -0.00299143 -0.00133975 -0.02063982 -0.00277725 -0.00392869 -0.00171188 0.00284467 0.00001162 +C 3.04998628 6.61097242 4.82638304 0.00605260 -0.00563068 0.00373512 0.01615784 -0.03697151 0.01582221 -0.00188278 -0.00469165 0.00184514 +H 4.96163612 7.23435500 4.18277239 0.01740709 0.02948923 0.01832841 0.01439477 0.14364481 0.00389999 -0.02509839 -0.00072271 -0.00823280 +C 7.34521671 7.35988490 5.66121129 0.01295294 -0.00272744 0.00029477 0.07763980 -0.04593994 0.00020578 0.00435268 -0.00815689 -0.00315398 +H 6.97232405 5.89974594 6.93609763 0.00520212 0.01887032 -0.00216317 -0.01131693 0.05499269 0.03411588 -0.01349634 -0.00542001 0.01120361 +O 7.00322802 8.07341983 4.73772504 0.00385347 0.00500978 -0.00018906 0.04804167 0.04069369 0.00647619 0.01066607 0.00513096 0.00347684 +C 8.80776188 7.31639739 6.28272835 0.00018330 -0.00173495 0.00055033 -0.00299317 0.00848056 -0.02286118 -0.00231634 0.00460115 -0.00246526 +H 9.14900845 8.35908289 6.19971562 -0.00766334 0.00093092 0.02037401 -0.03136981 -0.00165529 0.14977010 0.00333626 0.00552246 0.01411833 +H 8.78154841 7.06331507 7.34139652 -0.01383557 0.01205252 -0.00964091 -0.04658679 -0.00463753 -0.00990395 0.00044354 -0.01469663 -0.00328460 +H 9.61271717 6.76301977 5.69992188 0.01640219 -0.00507111 -0.00692943 -0.09832106 -0.01115737 0.06275933 -0.00992533 -0.01665774 0.00141713 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98898213 5.78226022 5.70011525 -0.00081173 -0.00778775 0.00007366 0.00345969 -0.05226859 0.00684516 0.00131167 -0.00499982 0.00379422 +C 2.30928125 6.09855634 6.00748717 -0.00164092 0.00300700 -0.00099451 -0.03586301 0.03549407 -0.02329865 -0.00576356 0.00442905 -0.00622442 +H 0.86620198 5.18352549 4.93558650 -0.00139736 -0.02194266 -0.00103567 0.03711165 -0.10340277 0.09796975 0.00756753 -0.03403586 -0.00228134 +C 2.60163191 7.39546325 6.50423456 0.00600183 0.00308467 -0.00154266 0.03484326 -0.01248947 -0.01780170 0.00235835 -0.00214175 -0.00275883 +H 3.05757970 4.28801419 5.18094685 -0.01878996 0.02296629 0.01038463 -0.09054507 0.01773525 -0.00870801 -0.00272943 -0.01985819 -0.01157524 +C 3.93016334 7.75332884 6.51852653 -0.00065333 0.00312909 0.00602892 0.06021438 0.02826505 0.02063216 0.01557213 0.00416905 0.00031685 +H 1.84317025 8.04975796 6.87654987 0.02579560 -0.00716707 -0.03165293 -0.00455007 0.09397974 -0.14839545 -0.00433366 0.01140705 -0.01371471 +C 5.00428760 6.94695293 5.95797354 0.00146198 -0.00248751 -0.00020279 -0.00244480 0.00427264 0.02064516 -0.00070572 0.00349175 0.00527603 +H 4.17792370 8.73892953 6.84726743 0.02678808 -0.00233157 0.00175641 0.12284164 0.00987676 0.07697133 0.00241013 -0.00079951 0.01509909 +C 4.65333337 5.69879468 5.48398706 0.00155479 0.00383082 -0.00635143 0.01076477 -0.00203338 -0.03684438 -0.00059609 -0.00531482 -0.00312827 +N 6.34128436 7.37344165 5.94360085 0.00163349 0.00702222 0.00359272 -0.03417784 0.07333696 0.02706586 -0.00952162 0.01229483 0.00374798 +C 3.32469092 5.29151961 5.53010281 -0.00264146 0.00007926 0.00079150 -0.01804734 -0.00664618 0.00140041 -0.00276770 -0.00017329 -0.00028881 +H 5.45679800 5.06741012 5.15591721 -0.00516782 -0.03105509 0.01889401 -0.11621239 -0.17222932 0.04627338 -0.01793185 -0.00618105 -0.00771753 +C 7.49978882 6.84176608 5.80995774 -0.00345839 -0.00292928 -0.00191099 -0.00259493 -0.04225058 -0.00615447 0.00063280 -0.00212068 0.00120591 +H 6.43959102 8.34177812 6.05200269 -0.03178099 0.01269904 -0.00114416 -0.15542233 0.11255524 0.02770167 -0.00429980 -0.00226651 0.00631646 +O 7.69253851 5.60816307 5.69075650 0.00010719 0.00163289 -0.00064633 0.00144241 0.01786564 -0.00650336 0.00025320 0.00111942 -0.00144323 +C 8.64186825 7.80651755 5.92912381 -0.00234783 -0.00430899 0.00342573 0.01044162 -0.00776728 0.00226457 0.00284892 -0.00335749 -0.00031268 +H 9.08921520 7.85529859 6.92883923 0.00480971 -0.00781498 -0.00409874 0.01850454 -0.11791799 -0.00693798 0.00139337 -0.01796149 0.00326076 +H 9.45489502 7.60421456 5.17199249 -0.00023215 -0.01242867 -0.00834856 -0.09308435 -0.13620568 0.06547057 0.00264089 -0.02942692 0.00162614 +H 8.40108927 8.90196212 5.70689106 0.00899281 0.00661172 -0.01657863 -0.00445775 -0.13982932 -0.06529327 -0.01521763 0.00199753 -0.00993808 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.05706140 5.72010378 5.76213442 -0.00045388 0.00662219 -0.00007473 0.00152911 0.03762336 -0.00047835 -0.00029377 0.00425569 -0.00000490 +C 2.36610558 6.12653768 5.91616593 0.00578924 -0.00232262 0.00045387 -0.02600537 -0.00833530 -0.00255978 -0.00985885 0.00028690 -0.00111654 +H 0.96352263 4.91139743 5.32975350 -0.01654402 -0.01693779 0.00903384 -0.07425698 0.00469382 0.11771199 -0.00369703 0.01120210 0.02158489 +C 2.59375390 7.38427290 6.40366031 -0.00338480 -0.00105630 0.00422523 0.00802424 -0.01154414 0.03020378 0.00041174 0.00067752 0.00547744 +H 3.17950837 4.35790872 5.12691917 0.00843202 0.02050108 0.01288922 -0.03220809 -0.04674762 -0.08843636 -0.01067912 -0.01077285 -0.02442579 +C 3.92620312 7.77709219 6.49168931 -0.00632664 0.00098650 -0.00255185 -0.01478415 0.02080876 -0.01594406 0.00480899 0.00477147 -0.00166494 +H 1.87680636 8.04995983 6.72927102 0.02747692 -0.01268690 -0.00130168 -0.10948680 0.03859488 0.05105896 -0.01152372 -0.01443803 -0.00189742 +C 4.99713623 6.94165163 6.09212879 0.00717739 -0.00054705 -0.00025016 0.02265862 0.00255087 -0.00216553 -0.00410899 0.00082618 -0.00146472 +H 4.03733209 8.78465532 6.80853730 -0.00334981 0.00599697 -0.00060112 0.06203527 0.01364622 0.03345834 0.01375868 -0.01024065 0.00473335 +C 4.71747854 5.71450755 5.53716512 0.00348317 -0.00175959 -0.00417013 0.00150152 -0.01462530 -0.03384000 -0.00054232 -0.00263625 -0.00343653 +N 6.28782030 7.41586724 6.15063676 -0.00359519 -0.00631286 -0.00870264 -0.01303881 0.00593149 -0.04967495 0.00203618 0.00506273 -0.00538908 +C 3.37365656 5.36046414 5.42547676 -0.00449057 0.00038707 0.00050664 0.00539998 -0.03061642 0.00675712 0.00405039 -0.01046534 0.00015939 +H 5.40976828 5.09464960 5.01219825 0.02319419 -0.00653190 0.04420633 0.10422703 -0.13074641 0.30049957 -0.01641072 -0.01905588 0.03314358 +C 7.45052922 6.84722278 5.84831169 0.00317497 0.00170718 0.00194043 0.01573288 -0.00268391 0.01063997 -0.00036774 -0.00257121 0.00048429 +H 6.26601977 8.41494034 6.34063185 -0.00248538 0.01488175 0.02804794 0.08367287 -0.11286159 0.13494494 0.02117052 -0.00888624 0.01737274 +O 7.52538475 5.65157556 5.62206050 0.00330663 0.00015896 -0.00136261 0.04101462 -0.00014709 -0.00995688 0.00857457 0.00002071 -0.00137568 +C 8.71531191 7.71541594 5.79684339 -0.00642790 0.00101466 0.00359560 -0.02963983 0.00097431 0.04159038 -0.00271752 0.00031218 0.00669120 +H 9.33749924 7.62567725 6.69111240 -0.00644587 -0.01231608 0.01749883 -0.17353641 -0.04224478 0.09910239 -0.02813668 0.00258539 0.01322951 +H 9.46727493 7.31358538 5.10193830 -0.01124346 0.01624649 -0.00052412 -0.13692724 0.12984833 -0.10809669 -0.01983535 0.01195134 -0.02090797 +H 8.47579259 8.77797946 5.68400823 -0.00237874 -0.01011420 -0.01018472 -0.01369075 -0.01344179 -0.09759944 -0.00518496 0.00426959 -0.00715733 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99921695 5.85059123 5.79047603 0.00527213 -0.00634052 -0.00130540 0.04608599 -0.03999545 0.00578742 0.00629710 -0.00452311 -0.00004980 +C 2.34511074 6.12350961 5.96339534 0.00543188 0.00729548 -0.00115763 0.01330480 0.02217807 -0.01085195 -0.00132840 -0.00128375 -0.00200939 +H 0.61462782 5.91593974 4.95587732 0.00746188 0.01291941 0.01805974 0.05804723 0.11247958 -0.02282933 0.02498161 0.01067533 0.01932792 +C 2.87700588 6.01782037 7.26547607 0.00134403 -0.00149257 0.00078212 0.01402774 0.01501107 -0.01880739 0.00168824 0.00537536 -0.00376936 +H 2.62430753 5.99780454 3.89180563 -0.01938766 -0.00398240 0.03887344 -0.03381728 0.10937062 -0.02721606 0.01008793 0.03117920 -0.04926518 +C 4.27675151 6.19965478 7.38428881 -0.00033254 0.00479344 0.00110446 0.00244395 0.03995103 0.00654604 0.00102388 0.00633034 -0.00183621 +H 2.16118213 5.99638903 8.04066145 -0.00985087 -0.00016862 -0.00629051 0.04094530 -0.09493931 0.05361227 0.03295562 -0.02234136 0.00087276 +C 5.08917513 6.46387355 6.24003241 -0.00229503 -0.00013071 -0.00687449 0.00927310 0.01757747 -0.00845633 0.00328800 0.00449505 0.00611155 +H 4.69932527 6.28448742 8.39407335 0.00695549 0.00638845 0.00714448 0.01387317 -0.01198966 -0.03643500 0.00289869 -0.00799662 0.00131520 +C 4.49943703 6.52317581 4.94878829 0.00344714 0.00444033 0.00679835 0.01916708 0.01593677 0.02739675 -0.00147311 -0.00044697 0.00105733 +N 6.45967184 6.81557096 6.49415507 -0.00263672 -0.00208119 -0.00203628 -0.03538046 -0.02943798 -0.00835532 -0.00527607 -0.00542684 0.00080895 +C 3.15626337 6.25865331 4.82986691 0.00289233 0.00175743 -0.00848207 -0.00497638 0.00531621 -0.02601393 -0.00287983 0.00072899 0.00220830 +H 5.08939965 6.64542961 4.00453506 -0.00822173 0.00113110 0.01120672 -0.04363412 0.02413592 0.06355288 0.01414390 0.00976752 -0.01832597 +C 7.41233387 7.21186993 5.65265282 -0.00190768 0.00145701 0.00346860 -0.02105350 0.01084067 0.00574965 -0.00451146 0.00078548 -0.00106301 +H 6.76846969 6.62386222 7.43113486 -0.02213475 -0.00310200 -0.00823378 -0.09093584 0.03243226 0.03726487 -0.00502712 0.01288142 0.00609444 +O 7.18674350 7.29056344 4.45772494 -0.00867073 -0.00501771 0.00454768 -0.04915157 -0.02995188 0.02223868 -0.00501445 -0.00325794 0.00125948 +C 8.79130743 7.62903683 6.12962606 0.00384412 -0.00139846 -0.00287597 0.00184820 -0.00212813 -0.01558540 -0.00339675 -0.00096363 0.00046616 +H 9.24726729 8.18316119 5.25291019 -0.01663707 0.00031233 0.00590974 -0.00150638 0.00245552 0.05571355 0.02244602 0.01781238 -0.00728416 +H 8.67050461 8.37498519 6.92058751 0.00671856 -0.02246432 0.01506398 0.08884328 -0.17882035 0.12333988 0.01556928 -0.02193648 0.01608876 +H 9.35150570 6.72243222 6.42007962 -0.00236564 0.01891069 -0.01867053 0.10292962 0.03846262 -0.09883535 0.02533379 -0.01011364 -0.01315109 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99013517 5.71413183 5.80414879 -0.00289620 0.00040477 -0.00098788 -0.01204368 0.00673686 -0.00218909 -0.00085728 0.00273130 0.00151132 +C 2.32837832 6.08299586 5.89218842 -0.00330960 0.00008958 0.00024563 -0.03959024 0.00726311 0.01245701 -0.00740624 0.00229777 0.00377859 +H 0.76557590 4.93501568 5.24870293 -0.01198507 0.01444089 -0.01363407 -0.01845453 0.12635708 -0.09982988 0.00059668 0.00027154 -0.03137105 +C 2.70648052 7.13696611 6.78327810 0.00118606 -0.00257548 -0.00160214 -0.01130104 -0.00849476 0.00704236 -0.00384607 -0.00049486 0.00339249 +H 2.94245936 4.71391115 4.44519408 -0.00558972 0.02160290 0.01888792 0.01215144 -0.08069302 -0.04350227 0.01583386 -0.00910064 0.00369468 +C 4.04582084 7.62010578 6.85390423 -0.00160554 0.00033874 -0.00721753 -0.01271397 -0.00725159 -0.04190903 -0.00099933 -0.00292742 -0.00526757 +H 1.98081532 7.58607962 7.40951683 -0.01959893 -0.00648256 0.05173485 0.04520839 -0.12617848 0.09432405 0.02315447 -0.01933615 -0.01986740 +C 5.02869429 6.95661302 6.09560468 0.00494954 -0.00224990 0.00244186 0.00450595 -0.03452614 0.01467045 -0.00254621 -0.00705547 0.00074995 +H 4.25885209 8.40045379 7.58041559 0.03364454 0.00960315 -0.01199460 0.15405389 0.00158221 -0.16118708 0.00203113 -0.00172316 -0.02144569 +C 4.58074419 5.87328148 5.28244574 -0.00530081 -0.00570932 -0.00385421 0.02349926 -0.02678235 -0.03795991 0.01162069 -0.00280786 -0.00724720 +N 6.33825119 7.35113813 6.28175014 0.00386605 0.00425223 0.00096758 0.02626866 0.04009737 0.00445237 0.00387695 0.00482997 -0.00091902 +C 3.29321014 5.44048332 5.10668149 -0.00311638 -0.00443408 0.00472646 -0.04919018 -0.00680893 0.05251381 -0.00862095 -0.00087359 0.00581075 +H 5.27240032 5.40871896 4.70163979 0.01420003 0.00446187 -0.01282728 0.06496888 -0.04461975 -0.10587892 -0.02368096 -0.00149237 0.00388883 +C 7.48147416 6.90474303 5.75370133 0.00994772 0.00248124 -0.00176500 0.03571655 0.01082645 0.00310530 -0.00102204 0.00019111 0.00229014 +H 6.32531641 8.17505075 6.89986757 0.00475272 -0.01068288 0.02097892 0.17269188 -0.06974413 0.07976450 0.03556449 0.00638199 0.01232790 +O 7.54466654 5.83350328 5.21166265 -0.00494956 0.00029537 -0.00156791 -0.02176031 -0.00679084 -0.02267361 -0.00077372 -0.00133818 -0.00448129 +C 8.71504971 7.72214989 5.94987247 0.00344850 0.00290562 0.00218294 0.02958817 0.02550657 0.03840645 0.00582919 0.00135933 0.00499430 +H 8.56591105 8.68879095 5.38700311 0.00066645 -0.01347095 -0.00069827 0.07400397 -0.04511972 0.01335942 0.01553954 0.01945975 -0.00853049 +H 8.87824308 7.86827655 7.07304058 -0.02603742 0.00984531 0.01390641 -0.18745081 0.12933000 -0.07135415 -0.01624813 0.03208671 0.01138281 +H 9.60021849 7.20889356 5.64383757 0.00688212 0.00955289 0.01846192 0.08651963 0.03257293 0.05121287 0.00252434 0.00708690 0.00852959 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.05040771 5.68064069 5.87343002 0.00442034 0.00254004 0.00015852 0.03169851 0.00968000 -0.00306390 0.00448507 0.00001085 -0.00121034 +C 2.34166691 6.11518883 5.83417790 0.00088546 0.00679616 -0.00230268 -0.00451442 0.05017389 -0.00855099 -0.00118816 0.00472123 0.00045586 +H 0.95177848 4.77096897 5.77324000 0.04684564 -0.01457194 0.00190166 0.26341483 0.00980749 0.04034878 0.02155648 0.01921048 0.01019310 +C 2.59389764 7.49915666 5.66719688 0.00182001 0.00043399 0.00073929 0.01877430 0.00314932 -0.00688042 0.00333973 -0.00153963 -0.00262637 +H 3.09510742 4.21536838 6.35224728 -0.00520502 -0.01602377 -0.01187619 0.06456251 -0.02781717 -0.10178486 0.01400049 -0.00408194 -0.01137623 +C 3.96148692 7.91723500 5.58306400 -0.00048184 -0.00328323 0.00025710 -0.03297450 -0.00691543 0.01096057 -0.00597433 -0.00095092 0.00380153 +H 1.76818239 8.26000667 5.55758282 -0.01815161 -0.01938231 -0.01037447 -0.01537785 -0.17872664 -0.05917774 -0.01078673 0.00221538 -0.00898953 +C 4.98274761 6.99944068 5.81955130 -0.00489615 -0.00471841 0.00323700 0.01333095 -0.00428501 0.01977681 0.00519597 0.00417608 0.00173484 +H 4.13584847 9.00295940 5.41936464 -0.01816851 0.00890770 0.02770564 -0.04904843 -0.05329000 0.13541184 0.00820810 0.00558551 0.00317201 +C 4.67961494 5.67223278 6.17610226 -0.00055662 0.00518394 -0.00051696 -0.00451242 0.02181795 -0.00295555 -0.00204219 -0.00081143 0.00004695 +N 6.32408251 7.50124231 5.79008175 -0.00023318 -0.00081073 -0.00012107 -0.03897009 -0.03463261 -0.00213077 -0.00793915 -0.00797607 -0.00006780 +C 3.38396358 5.23195038 6.09478647 -0.00217624 0.00028931 -0.00129673 -0.03551258 -0.01216045 -0.00321203 -0.00555329 -0.00068825 -0.00042910 +H 5.43496558 4.96632899 6.50573239 -0.00890910 0.01284959 0.00474191 -0.00811054 0.02505140 0.00543337 0.00849655 -0.00630962 -0.00441931 +C 7.43976102 6.77703361 5.99488236 0.00376530 0.00115991 -0.00460066 0.03132465 0.03911761 -0.04913222 0.00162509 0.00513335 -0.00875672 +H 6.37118227 8.44096541 5.37926385 -0.02985501 -0.00308365 0.00629506 -0.05088786 0.01081244 0.16490781 0.01264412 0.01150372 0.03513274 +O 7.57974219 5.56505018 5.89386452 0.00618927 0.00025427 0.00470090 0.04258454 0.00459109 0.03833675 0.00591797 0.00232645 0.00608051 +C 8.67141264 7.71791561 6.17884022 -0.01081637 -0.00598337 -0.00360043 -0.05168013 -0.05004197 -0.03139983 -0.00278907 -0.00621733 0.00019918 +H 9.50633731 7.49456048 5.42638296 0.00126265 -0.00622865 -0.00166945 -0.13448916 -0.02514845 0.03864550 -0.00440215 -0.00661316 -0.02415460 +H 8.47242401 8.81805872 6.12811119 -0.00139702 -0.01161910 0.02106162 -0.07213707 -0.09839412 0.11830726 -0.02228563 0.00080200 0.00417741 +H 9.01155570 7.42740929 7.14139081 0.01684873 0.01751669 -0.01690518 0.14819423 0.10561767 -0.02163224 0.00578444 0.00586939 -0.01367682 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98880671 5.73625738 5.66830602 0.00112980 -0.00467286 0.00271078 0.00508692 -0.03517981 0.02419591 0.00102510 -0.00247146 0.00448058 +C 2.28010343 6.10162210 5.88246905 0.00381203 0.00123507 -0.00303942 0.00198731 0.04117750 -0.01638183 -0.00395607 0.00756660 -0.00191622 +H 0.82992992 4.78496495 5.52515926 0.00089224 -0.01513240 0.00275678 0.05958480 -0.00482645 0.02661717 0.01039721 -0.02569958 -0.00085441 +C 2.63134294 7.43136090 6.27257247 -0.00788103 0.00091028 -0.00495245 -0.05645216 0.01963860 -0.02556838 -0.00412169 0.00478750 -0.00259417 +H 3.09890012 4.20817366 5.45090321 -0.01062959 0.00059287 -0.02336152 -0.06710070 0.04049704 -0.15657678 -0.00284573 0.01523501 -0.01292364 +C 3.96650900 7.85646008 6.28076444 0.00195174 -0.00165947 0.00237021 -0.01245163 0.00406993 0.01199567 -0.00637795 -0.00074270 -0.00009093 +H 1.86819894 8.15328662 6.59611977 -0.01133267 0.01944406 0.00717288 -0.02729056 -0.00368257 -0.09119067 -0.01622935 -0.00285745 -0.02443454 +C 4.96746451 6.95755969 5.97282230 -0.00377079 0.00195795 -0.00327199 0.01180456 -0.00252903 -0.00908060 0.00679829 -0.00083786 0.00172610 +H 4.19331038 8.92228547 6.50929725 0.01943065 0.00316447 -0.01055105 0.07249032 -0.07160062 -0.02865800 0.00218812 0.00715901 0.00996275 +C 4.62718629 5.61300607 5.71271102 0.00311321 -0.00437231 0.00026682 0.01831297 -0.00700537 0.00426754 0.00547539 -0.00103654 0.00002435 +N 6.27882250 7.42892436 6.05923983 0.00075866 0.00703198 0.00770671 0.01854558 0.05809454 0.03974555 0.00447387 0.00639345 0.00245487 +C 3.29682715 5.23165721 5.63722020 -0.00117513 0.00529689 0.00424054 0.00467998 -0.00750787 0.01796225 0.00188841 -0.00643402 0.00008284 +H 5.32841855 4.87079744 5.57802864 -0.00563982 0.01971539 -0.00081960 0.13454544 -0.03293441 -0.06533242 -0.00208928 0.00672448 -0.00857090 +C 7.51749127 6.91108441 5.91457005 0.00435420 -0.00744072 -0.00862222 0.00455387 -0.05390055 -0.05777829 -0.00335688 -0.00240549 -0.00597505 +H 6.29884606 8.44745144 6.16444411 -0.01927658 -0.00396786 0.00306354 -0.04758101 0.05312614 0.05885869 0.01191565 0.02231220 0.01437645 +O 7.60322707 5.67566995 5.77520573 -0.00631072 -0.00185122 -0.00040209 -0.03420643 -0.01356793 -0.00394788 -0.00306545 -0.00370433 -0.00120466 +C 8.83368612 7.72973955 5.82405376 0.00598992 0.00259029 -0.00220282 0.03315511 -0.01161459 0.02248613 0.00297156 -0.00743257 0.00582133 +H 8.82754150 8.74470537 5.36018953 -0.00700951 -0.00602639 0.02066148 -0.09322212 -0.02304192 0.04699155 -0.01844245 0.00558729 -0.00709750 +H 9.30914534 7.78894979 6.79670260 0.01063928 0.00707971 0.03708262 -0.07941494 0.06209944 0.02659880 -0.02459295 0.00850495 -0.01540748 +H 9.44457174 7.00557219 5.33298576 0.01842459 -0.00137549 0.00151312 0.18585605 0.15738373 -0.07020746 0.01800466 0.05008407 -0.00634463 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03534227 5.76127449 6.00679164 0.00072337 0.00059885 -0.00206838 -0.00481043 0.01610210 -0.01776209 -0.00177965 0.00127742 -0.00244641 +C 2.30464145 6.17445921 5.88772595 0.00267036 -0.00285582 0.00281481 0.01093509 -0.01203351 0.00083005 -0.00016893 -0.00165719 -0.00224503 +H 0.97581355 4.83385453 6.12839464 0.01268923 0.02319072 0.00191027 0.03572906 -0.01058463 0.05912734 -0.00353520 0.01343083 0.00779533 +C 2.64561822 7.38140397 5.22308224 -0.00129413 -0.00412398 -0.00249540 -0.00386079 -0.04956172 -0.00026341 0.00122689 -0.00591552 0.00007551 +H 3.00537499 4.28204335 6.59594296 0.00573873 -0.00393135 0.00338132 0.04673190 0.01409753 0.09215323 0.00578979 0.00782779 0.01816293 +C 4.01403240 7.68262013 5.11101728 -0.00288920 0.00547748 0.00119996 -0.01457662 0.05999480 -0.00719049 0.00257378 0.00848512 -0.00161048 +H 1.78917892 7.95193720 4.87314144 0.02195348 -0.01146410 -0.01179742 0.12028690 0.05359975 -0.13780335 0.01046121 0.01096258 -0.01671629 +C 5.02756865 6.89464327 5.58780977 0.00389542 0.00463650 0.00717179 0.03225619 -0.00134301 0.07101158 -0.00025231 -0.00314958 0.01101464 +H 4.22681037 8.58814078 4.62297568 0.02929816 -0.00248259 -0.01147505 0.14807601 0.03157394 -0.05121622 -0.00398001 -0.00189813 0.00536936 +C 4.63055582 5.62959563 6.12681066 -0.00333310 -0.00783648 0.00454892 -0.00061305 -0.02779034 0.03619450 0.00630796 0.00074268 0.00592744 +N 6.38818015 7.37199443 5.62152667 0.00064244 0.00509207 0.00001191 -0.02974535 0.02064889 0.00685421 -0.00794641 0.00021435 0.00191365 +C 3.27383653 5.27170819 6.27106660 0.00093756 -0.00092706 -0.00227316 0.02047187 -0.01947688 -0.01529657 0.00375529 -0.00489168 -0.00115201 +H 5.29892529 4.92279237 6.55663094 0.00512784 0.01002251 0.01588296 0.08949203 0.03077861 0.04789195 0.00296527 0.00236405 -0.00686606 +C 7.48986161 6.83664928 6.18201371 0.00034508 0.00399570 -0.00025748 -0.02522234 0.05668272 -0.02138828 -0.00715433 0.00835793 -0.00373717 +H 6.49638538 8.37307188 5.36256007 -0.01623056 -0.00449993 -0.01825965 -0.05137926 -0.08360947 -0.19516378 0.00379915 -0.00109940 -0.03905042 +O 7.57716058 5.85363416 6.88148866 -0.00450563 0.00066609 -0.00384590 -0.02773564 -0.00119423 -0.02575841 -0.00351703 0.00051464 -0.00435358 +C 8.61866203 7.76881708 5.83069573 -0.00265765 -0.00511849 0.00010207 0.01425047 -0.04868981 0.00986963 0.00737231 -0.00572808 0.00184881 +H 9.01914887 7.52420403 4.84661536 0.01004703 0.00466617 -0.00333295 0.01284909 0.12310749 -0.01197083 -0.01118851 0.02312974 -0.00315311 +H 8.50800760 8.80359342 6.12239899 0.02684513 -0.02139743 0.01924490 0.06157554 -0.01864116 0.03036847 -0.00795045 -0.00009018 -0.00809362 +H 9.40951798 7.51145560 6.56964481 -0.01665260 -0.00448322 -0.03067515 0.06569073 -0.16082005 -0.11685829 0.03535337 -0.04129049 0.00328272 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99219214 5.83196723 6.02728320 0.00378840 0.00216934 0.00612918 0.01775045 0.00630303 0.03731996 0.00046004 -0.00350786 0.00429181 +C 2.30355835 6.08202939 5.89661348 -0.00257556 -0.01018039 -0.01086346 -0.00254823 -0.01628120 -0.05048349 0.00174745 0.00719918 -0.00236715 +H 0.87704365 4.90851379 6.03483841 0.01230977 0.02445085 -0.00013667 -0.02648019 -0.02928729 -0.01106984 -0.01303468 0.01203220 -0.00170272 +C 2.68966988 7.34324248 6.42480720 0.00373740 -0.00429980 -0.00232941 0.02410387 -0.04921547 -0.03271006 -0.00048861 -0.00656603 -0.00554479 +H 2.89652981 4.28636101 4.82284575 -0.00758650 0.01399370 0.00971674 0.03276047 -0.01083013 0.07217495 0.01693900 -0.01183971 0.01114744 +C 4.02316380 7.76359809 6.37088241 -0.00193887 0.00277732 -0.00484396 -0.01454950 0.01438305 -0.01138069 -0.00214106 0.00029106 0.00122856 +H 2.00142962 7.95749633 6.91499000 0.01189793 -0.00790205 -0.01812896 -0.05129382 0.01757645 -0.06051803 0.00146677 -0.01293298 -0.01440903 +C 4.98888356 6.91096270 5.84966279 0.00134779 0.00507193 0.00666206 0.00889298 0.03304951 0.03868234 -0.00148681 0.00152690 0.00278129 +H 4.34389803 8.66274315 6.91906604 -0.00546005 -0.00983963 0.01691457 -0.09924021 -0.01410149 0.01021870 -0.01626725 0.02031457 -0.00680466 +C 4.62344937 5.68425239 5.29496774 0.00051381 0.00677144 -0.00061470 -0.01764606 0.00537005 -0.01104040 -0.00315762 -0.00221710 -0.00078693 +N 6.28728834 7.41941250 5.94995822 -0.00772805 -0.00265780 0.00453258 -0.03701782 -0.00248185 0.03064092 0.00032958 0.00405769 0.00431360 +C 3.24964310 5.19297869 5.31094429 -0.00457330 0.00169528 0.00097780 -0.00195409 0.04284811 0.00195971 0.00411909 0.00714220 -0.00187242 +H 5.33612104 5.02966054 4.83744293 0.01894039 -0.00528378 0.01002450 0.07023461 0.04641937 0.09392917 -0.00481283 0.01276492 0.01200360 +C 7.49306475 6.85796640 5.90250178 -0.00266073 0.01064637 0.00017788 -0.00864335 0.05264953 -0.00333050 -0.00077789 -0.00255318 -0.00199355 +H 6.28059009 8.41458168 6.12128896 0.02395397 -0.01382179 -0.01574405 0.12258345 0.00861046 -0.05801282 -0.00207560 0.00834136 0.00036562 +O 7.63237579 5.69738036 5.67932893 0.00516255 -0.00398387 -0.00034845 0.04106932 -0.02745435 -0.00148554 0.00586907 -0.00073073 0.00038506 +C 8.73552910 7.81063553 6.13585395 -0.00119372 -0.00877207 -0.00385160 -0.02695484 -0.05252974 -0.00123323 -0.00456381 -0.00347739 0.00036793 +H 8.90870912 7.94684649 7.21144573 -0.00495737 0.01608904 0.02632793 -0.03521597 -0.02529737 -0.05870123 0.00159329 -0.02260310 -0.01875701 +H 9.64277769 7.41584746 5.70749413 0.00059895 0.00295862 -0.02139336 -0.03956725 0.03080708 -0.14071477 -0.02148289 0.00328325 -0.00710677 +H 8.46236718 8.79607144 5.80179717 0.00311945 0.00087956 0.01266965 0.07529727 -0.01442837 -0.01328111 0.01306015 -0.01450456 -0.01135483 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95706211 5.79124966 5.74302376 0.00331295 0.00649526 -0.00143926 0.03535075 0.03735393 -0.01726094 0.00597273 0.00504675 -0.00236287 +C 2.30512475 6.15231803 5.86001352 0.00432875 -0.01387480 0.00148704 0.01147742 -0.08506631 0.01606274 -0.00069811 -0.00413417 0.00409453 +H 0.83516119 4.98598676 5.26512722 -0.01205995 -0.01017775 -0.01703374 -0.05816391 0.08819057 0.00044377 -0.00943864 0.00473813 -0.00145599 +C 2.70351776 7.43808516 6.14507700 0.00368331 -0.00416436 0.00673569 -0.02171874 -0.01165536 0.04704714 -0.00832695 -0.00340628 0.00562148 +H 3.00364443 4.17918035 5.46675957 0.00245558 -0.00879160 0.01502282 0.07510947 -0.04658621 0.12441805 0.02092813 0.00629128 0.01555068 +C 4.03466496 7.84026940 6.29665683 -0.00409561 -0.00462097 -0.00771320 -0.02945981 -0.02569104 -0.05325521 -0.00431637 -0.00171394 -0.00645236 +H 1.87736278 8.13821301 6.22876952 -0.00899939 0.01841786 0.02032720 0.10487630 0.04339518 0.12788229 0.01556594 0.00382781 0.01688991 +C 5.01307312 6.83529911 6.14617690 -0.00386344 0.00556111 -0.00622957 -0.00220173 0.06197284 -0.04119149 0.00081639 0.00902986 -0.00585453 +H 4.24892200 8.89738619 6.43381073 -0.00371373 0.00599808 0.00464315 -0.02028794 -0.07672645 0.04353456 -0.00139531 -0.01244252 0.00633864 +C 4.65358885 5.50836825 5.85864576 0.00269558 0.00986770 0.00287004 0.01963826 0.04489129 0.01610660 0.00538940 0.00193930 0.00010439 +N 6.33085242 7.34646780 6.27496358 -0.00852707 0.00070569 0.00040258 -0.07036029 0.00811546 0.00686822 -0.00750955 0.00401119 0.00235317 +C 3.29626504 5.16103485 5.73144988 0.00400103 0.00415112 0.00109889 0.03072689 0.00853862 0.00021072 0.00558229 -0.00499450 -0.00064459 +H 5.31711711 4.71842878 5.82219428 0.01786564 0.00480478 -0.02589959 0.14635062 0.11344112 -0.16936343 -0.00325173 0.04363441 -0.01014409 +C 7.47074158 6.88911618 5.77166777 -0.00286431 0.00471711 0.00695845 -0.02072469 0.04441798 0.05822472 -0.00394397 0.00211292 0.00592168 +H 6.30242694 8.22911421 6.73347790 -0.00089078 -0.00070186 0.00808919 0.07215917 -0.01050829 0.05099141 0.00930781 -0.00920082 0.00292453 +O 7.56677034 5.91689851 5.13771212 0.00160697 0.00187659 0.00042750 0.01099508 -0.01009310 -0.01165765 0.00100315 -0.00208808 -0.00192095 +C 8.71468988 7.71338432 6.08443388 0.00041464 -0.01384322 -0.00309180 0.00718045 -0.07019949 -0.01287713 0.00152117 -0.00733032 -0.00298833 +H 9.07403797 7.44815566 7.14442873 -0.00367573 0.00960203 -0.01027466 -0.01526352 0.04444471 -0.07999197 0.01274173 -0.00737537 0.02513604 +H 9.51630492 7.45754058 5.39588716 -0.00750897 -0.02254588 -0.00590799 -0.03560910 -0.15283033 -0.04049065 -0.00431907 -0.01873542 -0.00137218 +H 8.55928419 8.82414039 6.03815366 0.00569176 0.00615648 -0.00371023 0.03349312 -0.15754308 -0.05524808 0.00086940 -0.01218731 -0.01621798 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02365636 5.78037852 5.68107483 -0.00229122 0.00855040 -0.00482597 -0.03351866 0.05587272 -0.02799518 -0.00435027 0.00605769 -0.00457129 +C 2.30748333 6.15395007 5.79881225 -0.00287310 -0.00430444 0.00347753 0.00926109 -0.01180712 0.02610180 0.00313042 0.00256297 0.00333939 +H 0.36248434 6.31041344 6.16407949 -0.00426803 -0.00454509 0.03739716 0.10845771 -0.09395047 0.16441574 0.00368638 -0.00190711 0.03591244 +C 2.64098748 7.52280664 5.85167180 0.00175904 0.00616889 0.00216336 -0.01004403 0.00177440 0.01821022 -0.00325334 -0.00707821 0.00287359 +H 3.03072984 4.19889533 5.93200300 0.00483023 0.01376235 0.00236730 0.00236064 -0.14802822 -0.03859129 0.01182669 0.01720753 -0.01159048 +C 3.97422218 7.87524412 5.97939918 0.00166271 -0.00719174 -0.00436295 0.01461300 -0.04238244 -0.03196587 0.00043391 -0.00281772 -0.00439339 +H 1.84133076 8.26225828 5.81828394 -0.01491352 -0.01115684 0.00609650 -0.01189320 -0.01639729 0.00911406 0.00792397 0.01183021 -0.00270917 +C 4.99483587 6.84860510 6.05546702 -0.00313226 0.00009160 -0.00172787 -0.00935418 0.02252681 -0.01099377 0.00211197 0.00064332 -0.00142266 +H 4.15732540 8.93863572 5.92956041 -0.01237547 0.00295986 0.00275599 0.03236314 -0.05917164 0.05027313 0.02166260 -0.01355889 0.00778225 +C 4.67029800 5.48878846 6.07085182 0.00222716 -0.00743413 0.00177313 0.02787178 -0.05015746 -0.00065302 0.00330345 -0.00033009 -0.00097305 +N 6.27018960 7.40389042 6.05604121 -0.00012497 0.00355905 0.00118743 0.00063720 -0.00774482 0.00304075 0.00059591 -0.00264025 -0.00075421 +C 3.33293197 5.15225254 5.89458256 0.00314438 -0.00116745 -0.00042682 -0.00783633 0.00494216 0.00556310 -0.00506199 -0.00570247 0.00193501 +H 5.36817601 4.62318835 6.00806588 0.02620044 -0.02045719 0.03012583 0.07790006 0.10876585 0.26157074 0.01248557 0.01820888 0.03559911 +C 7.47168417 6.84296296 5.91300977 0.00290646 -0.00714360 0.00021752 0.02712417 -0.04207218 0.00492961 0.00230032 -0.00005660 0.00154292 +H 6.34048696 8.38355570 6.08589348 -0.01845118 -0.01743491 -0.02389036 -0.11570037 0.06075227 -0.12928131 -0.00526472 -0.01286475 -0.00859218 +O 7.75222344 5.62196068 5.81122039 0.00224561 -0.00023875 -0.00214452 0.00552871 0.00342835 -0.01336414 0.00003757 -0.00050655 -0.00176814 +C 8.62249290 7.82374595 5.86122275 -0.00294963 0.00738734 0.00232690 -0.03326867 0.05051911 0.00925089 -0.00758685 0.00577792 -0.00087001 +H 8.87818312 7.93055563 4.79014082 0.00413674 -0.00360290 -0.00054439 0.09729944 -0.02042784 0.07845673 0.02280728 0.00095964 0.00824149 +H 8.20945631 8.79535341 6.19831215 0.00817733 0.01756464 0.00161122 0.14706674 0.07244182 0.01503247 0.01942607 0.01367058 0.00481258 +H 9.49585299 7.45959481 6.52801975 -0.02358238 0.00350767 -0.00278335 -0.12130791 0.05666850 -0.04038056 0.02069206 -0.00154524 0.01743358 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98964042 5.77119208 5.86703890 -0.00077489 0.00047898 -0.00083005 -0.02150722 0.01383341 -0.00566661 -0.00362195 0.00248800 0.00007052 +C 2.25313115 6.18312157 5.87177399 0.00246581 0.00569597 -0.00261826 0.03860290 0.01232995 -0.00675790 0.00437822 -0.00154683 0.00029997 +H 0.80555886 4.97290587 6.26818370 0.00164385 0.00819433 0.02748897 0.04735518 0.06970243 0.14565231 0.01151522 0.03023759 0.00232232 +C 2.66378820 7.55124987 5.86388962 0.00235171 0.00026985 -0.00148927 0.00444416 0.00435191 -0.02455420 -0.00016979 0.00092569 -0.00501186 +H 2.91211483 4.10996038 5.91595700 0.01770895 0.03887550 0.00150246 0.02752142 -0.06088735 0.05761070 -0.00453938 -0.01180943 0.01131806 +C 4.03028841 7.89054654 5.84084359 -0.00052161 0.00163174 0.00495909 -0.00033261 -0.00520980 0.03836906 0.00084991 -0.00354346 0.00508234 +H 1.93338867 8.33731268 5.74696978 0.00350916 0.00815134 -0.01499068 0.02017369 0.00529773 -0.03093516 -0.00198390 -0.00406165 0.00476587 +C 4.97872189 6.84929281 5.90900319 0.00048864 -0.00662127 -0.00126149 0.01580555 -0.01670027 -0.02132248 0.00277101 -0.00025162 -0.00378272 +H 4.35763125 8.91560363 5.81850854 0.01086227 0.01145566 -0.00439452 -0.02437712 -0.00789207 -0.03942310 -0.01550561 -0.01137671 -0.00330873 +C 4.58280649 5.51574199 5.95846825 -0.00182515 -0.00808256 0.00198479 0.00012332 -0.08337191 0.02219301 0.00287305 -0.01067322 0.00272840 +N 6.28130447 7.35646230 5.85309725 0.00318920 0.00072193 -0.00019033 -0.00261678 0.02001711 0.01554453 -0.00355340 0.00609289 0.00485841 +C 3.21850520 5.13349171 5.96152226 -0.00139267 -0.00330488 0.00019302 0.00045843 0.03419688 -0.00820668 0.00136032 0.00656236 -0.00170223 +H 5.28452226 4.71394444 6.11062507 0.00410581 -0.03699148 -0.01449770 -0.00936799 -0.08005061 -0.16993524 -0.00201501 0.00472067 -0.02514686 +C 7.51322151 6.86323477 5.86698763 -0.00323854 0.01070466 0.00347631 0.00803933 0.01899636 0.01228839 0.00471241 -0.00762456 -0.00093023 +H 6.24589816 8.31932764 5.93630938 -0.02192525 0.00964562 0.02311699 -0.03539368 0.03266392 0.13417313 0.01383303 -0.02062749 0.01037956 +O 7.80844642 5.69286054 5.61060945 0.00175758 -0.00735764 -0.00246562 -0.00004874 -0.02529250 -0.00956148 -0.00192764 0.00176689 0.00012168 +C 8.66333840 7.81776584 6.28106707 -0.00762331 0.00139238 -0.00091578 -0.02795170 0.02190307 -0.01481417 -0.00140626 0.00269671 0.00012915 +H 9.58186995 7.51227301 5.72547078 0.02601783 0.00488924 -0.01549377 -0.08737813 0.10873900 0.01822295 -0.01860189 0.01162022 0.00249921 +H 8.48493797 8.92628985 6.15206679 0.00779174 0.02731259 -0.01292212 0.00693226 -0.08338557 -0.08154252 -0.01551119 -0.00755837 -0.01500757 +H 8.89534032 7.62941208 7.30115883 0.00112891 0.00752531 0.01356782 -0.03393779 0.08044413 0.02529515 -0.01286171 0.01698027 -0.02040688 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.08750253 5.56940046 5.88424811 0.00009271 -0.00504166 -0.00132001 0.00465776 -0.03082820 -0.00983234 0.00114670 -0.00161958 -0.00005794 +C 2.33690807 6.06846727 5.81894528 0.00358004 0.00320407 0.00060833 0.02357923 0.02075587 0.02171273 0.00079686 -0.00025395 0.00445721 +H 0.54377065 6.11153408 6.37288387 0.02025889 0.00137152 0.00964632 0.04985362 -0.01221356 0.06626950 0.00862531 -0.02566064 -0.00903710 +C 2.63926380 7.31375946 6.43918597 0.00591565 -0.00222982 0.00112093 0.00442244 -0.00133916 0.00921754 -0.00022886 0.00119928 0.00086009 +H 3.31382511 4.27573777 5.04563585 0.01082058 -0.00720043 -0.01030689 -0.03602593 0.01571636 -0.08841841 -0.02180854 0.00409138 -0.01618351 +C 3.92021100 7.87172763 6.49660971 -0.00752508 0.00479286 -0.00166942 0.00005559 0.01139358 -0.02214927 0.00654705 -0.00351171 -0.00556153 +H 1.74906785 7.88959757 6.86448678 0.02321339 0.00164892 0.01334469 0.19134854 -0.00614339 0.10762880 -0.01189469 0.01769158 0.03323527 +C 4.98578374 7.11439765 5.90187423 -0.00051469 -0.00206956 -0.00331670 -0.00237042 0.02110948 0.00669574 -0.00120705 0.00625625 0.00436889 +H 4.16410700 8.80696069 7.05403118 0.01813376 -0.00059088 0.00891280 -0.01626915 -0.04583022 -0.04486333 -0.01535719 0.01448270 -0.00546536 +C 4.73302684 5.84392031 5.40243792 0.00089286 0.00912669 0.00721008 -0.03998774 0.01015369 0.01242985 -0.01203338 -0.00433190 -0.00317133 +N 6.31461691 7.56576480 5.99358206 -0.00003660 -0.00218473 -0.00445909 -0.01114006 -0.01027760 -0.02646060 -0.00184780 -0.00008503 -0.00270893 +C 3.41536987 5.30626836 5.38723783 -0.00970547 -0.00475731 -0.00233895 -0.02090848 -0.02515749 -0.02196560 0.00398215 -0.00047096 -0.00329686 +H 5.43180689 5.17063031 4.93223716 0.02685645 0.01468807 -0.01775318 -0.00282425 0.17638617 -0.03216764 -0.01880210 0.01613529 -0.00208073 +C 7.41210929 6.84096379 5.86683735 0.00231269 0.00372583 -0.00209014 0.02906189 -0.01555661 -0.01451482 0.00408456 -0.00486326 -0.00155549 +H 6.52840032 8.49343520 6.32019095 -0.00688097 -0.01019692 0.00284821 -0.10832935 0.00841485 -0.00254489 -0.01781264 0.00561909 -0.00705764 +O 7.45925938 5.59452958 5.63032881 -0.00617319 -0.00004723 0.00346031 -0.02812060 0.02589376 0.03130219 -0.00134688 0.00559859 0.00514383 +C 8.72110691 7.56961953 6.05618968 0.00418895 0.00066385 0.00284134 0.04008571 -0.01730255 -0.00752004 0.00453821 -0.00428333 -0.00250559 +H 8.91333241 8.01893545 5.04782780 0.00912301 0.00057809 -0.00331008 0.05788470 0.12164236 0.13853901 0.01265660 0.03899823 0.01711266 +H 8.75422745 8.24763968 6.92219415 0.00256101 -0.01631268 0.00842871 0.04286258 -0.08553629 0.03382183 0.00790071 -0.00860203 0.00383474 +H 9.53337581 6.79176059 6.07381118 0.00311989 -0.02128488 -0.01200524 -0.05569760 0.00035984 0.04042488 0.00813794 -0.00247911 0.01887617 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95611089 5.82132484 5.86739083 -0.00529075 -0.00163474 0.00511626 -0.02381789 -0.01259350 0.03931837 -0.00020673 -0.00200455 0.00663171 +C 2.32331399 5.95702442 5.94559918 -0.00187277 0.00128488 -0.00187909 -0.00101867 0.03172209 0.01731126 -0.00062831 0.00624555 0.00627193 +H 0.53218264 6.20842315 5.07524344 -0.00393763 -0.00061865 0.01433591 -0.01772076 0.00289871 0.06300306 -0.00902332 0.00748434 -0.00930735 +C 3.04034507 5.84532804 7.19442600 -0.00256949 -0.00157084 -0.00072552 -0.03164379 -0.03115076 -0.03329055 -0.00134783 -0.00544677 -0.00857769 +H 2.54753503 6.60964077 3.96464810 0.02001767 0.02007705 0.00186978 0.12747157 0.12113433 -0.02945311 0.02076203 0.00014103 0.01779484 +C 4.43920336 5.97222641 7.25217887 0.00364432 0.00741768 -0.00078738 0.00170612 0.05226211 0.01250125 -0.00541851 0.00676623 0.00276980 +H 2.39571225 5.44802370 8.04940117 -0.00126074 -0.00789505 -0.02786556 0.05515352 -0.01986414 -0.06067166 -0.00671679 -0.01127207 0.03617769 +C 5.15259232 6.44233729 6.13625767 -0.00391873 0.00239975 -0.00201105 -0.02925357 -0.00464078 -0.02433250 -0.00285336 -0.00299887 -0.00591217 +H 4.90945437 5.72354735 8.19806932 0.00871500 0.00052821 0.00385901 0.06937761 0.06320967 -0.03978051 0.01100444 0.01550190 -0.00545701 +C 4.44549439 6.52983768 4.93449655 -0.00219518 0.00349113 -0.00798514 0.02108219 0.04488616 -0.05885782 0.00764389 0.00775901 -0.00533933 +N 6.52318991 6.47913623 6.20979476 -0.00290970 -0.00074287 -0.01019103 -0.01850810 -0.02528360 -0.05116537 -0.00188606 -0.00470781 -0.00518934 +C 3.05682891 6.47618715 4.85737525 0.01134186 -0.00716981 0.00773266 0.04342348 -0.06392141 0.03225438 -0.00013101 -0.00824227 -0.00325082 +H 5.00096321 6.73806175 4.02485290 0.01672147 0.00330677 -0.00985501 0.02315994 0.05343263 -0.02719570 -0.00550609 0.01574484 -0.00997308 +C 7.35115367 7.34134003 5.65409880 0.00144571 -0.00480999 0.00215729 0.02493027 -0.00288458 0.00400220 0.00384023 0.00382241 -0.00095959 +H 6.90488451 5.76902717 6.82327683 0.00961552 -0.01003882 0.00032217 0.03704660 0.07170001 -0.04395463 0.00480457 0.01052103 0.00272622 +O 7.04607165 8.16435273 4.78693670 -0.00264842 -0.00053017 0.00051616 -0.01490592 -0.00911747 0.01035412 -0.00110776 -0.00194205 0.00249850 +C 8.77537536 7.32543741 6.23180643 0.00553757 0.00617323 0.00551269 0.01505490 0.01694078 0.04554434 -0.00063936 -0.00294332 0.00651247 +H 8.74180786 7.34649275 7.32259670 0.01637409 -0.01220247 0.01212104 0.08619575 -0.01117260 0.03527312 0.00456196 0.01112718 0.00293568 +H 9.23241119 6.40235166 5.97051687 -0.03156901 -0.01928289 0.01873588 -0.10467310 -0.08064055 0.06408723 0.00026445 0.01511224 0.00246592 +H 9.38598644 8.17619803 5.87495746 -0.00423056 -0.01517354 0.01468784 0.06815937 -0.01968333 0.01927222 0.02137058 0.00457386 -0.00905834 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95060943 5.83011674 5.87810767 -0.00417667 -0.00047141 -0.00457918 -0.03486384 -0.00596784 -0.03264477 -0.00408111 -0.00187765 -0.00347811 +C 2.29141634 5.97884700 5.97935079 -0.00447045 -0.00465024 -0.00702421 -0.00321893 -0.03309233 -0.04593070 0.00414911 -0.00441268 -0.00278185 +H 0.52656355 6.22413822 5.08877670 -0.00158093 -0.00266598 -0.00798746 0.02953965 -0.02621374 -0.04044491 -0.00407121 0.00649605 -0.02731902 +C 2.98353628 5.46721457 7.08557555 -0.00347796 0.00825407 0.01009286 0.01808612 0.08241184 0.04624408 0.00223916 0.01105773 0.00384751 +H 2.47052241 6.89322682 4.02882202 0.02293150 0.01863752 -0.00900810 0.19159487 0.07042871 0.01660601 0.01850326 0.00308175 0.00996330 +C 4.41875930 5.83069318 7.15962292 0.00433466 -0.01004680 0.00661332 -0.02213316 -0.08071970 0.04818417 -0.00575603 -0.01104237 0.00686682 +H 2.51826839 4.97505475 7.87061513 -0.01109076 -0.00919010 -0.00767621 -0.08736098 -0.04302932 -0.00232237 0.01054931 0.02233928 -0.01811683 +C 5.13668451 6.50707950 6.15677048 -0.00255810 0.00051279 0.00562554 -0.03195591 -0.01660332 0.04279493 -0.00537322 -0.00523555 0.00515497 +H 4.86301022 5.52396362 8.09572267 0.00539370 -0.01598751 -0.02295154 0.15850646 -0.16034089 -0.04360880 0.01964985 -0.02508186 0.00021362 +C 4.39475165 6.84836691 5.00900621 0.00877964 0.00129210 -0.00771423 0.06023107 -0.00248295 -0.03082906 0.00673101 -0.00127658 -0.00061492 +N 6.49834707 6.65041000 6.38825000 -0.00312793 -0.00261076 0.00065172 -0.02051306 -0.00421714 -0.00368485 -0.00232073 0.00123233 -0.00044140 +C 3.02218634 6.57037061 4.89700641 0.00979029 0.00333143 0.00984962 0.04385975 0.03303958 0.05821943 0.00400564 0.00607849 0.00460800 +H 4.94199150 7.26689616 4.18665908 -0.02429308 0.00027454 0.00135561 -0.09487187 0.10362753 -0.12944254 -0.00084286 0.01479994 -0.01142246 +C 7.38935934 7.33965552 5.68049038 -0.00428449 0.00431820 -0.00008765 -0.00804250 0.03052369 0.00090815 0.00132078 0.00279465 0.00147743 +H 6.88727791 6.23092284 7.22284533 -0.01234000 0.00882271 -0.01021788 -0.06012082 -0.00048862 0.03847725 -0.00547749 -0.00292289 0.00848812 +O 7.13311139 7.91027238 4.61398068 0.00191797 -0.00252628 0.00306774 0.01231422 -0.01298760 0.01793172 0.00109492 -0.00047929 0.00087814 +C 8.84505579 7.40706159 6.23264608 -0.00029003 0.00418881 -0.01114883 -0.01343598 0.01293851 -0.06541312 -0.00193117 -0.00116115 -0.00882002 +H 9.20537292 8.42479005 6.46225874 0.01265193 0.00417413 -0.01426218 0.00961755 -0.01921799 -0.07480771 -0.00944184 0.00115095 -0.00390718 +H 9.02922838 6.69985687 7.03216020 -0.00344804 -0.01542288 0.00195274 -0.08076236 0.07115715 -0.02598109 -0.01483934 0.02906958 -0.00639543 +H 9.48139750 6.98637355 5.47956931 -0.00213232 0.00941839 0.00977447 0.05978172 0.05354940 -0.09931308 0.00144609 0.00945227 -0.02013809 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03256527 5.59515299 5.91537793 -0.00363948 -0.00052162 0.00255737 -0.01591162 -0.00084946 0.00900486 -0.00114116 0.00051838 -0.00075206 +C 2.32685490 6.00271585 5.75195247 -0.00083420 -0.00455228 -0.00306630 0.01545826 -0.01751561 -0.01726546 0.00286473 -0.00137645 0.00060112 +H 0.98250751 5.27278558 6.83136281 -0.03488148 -0.00725737 -0.01662910 -0.29481168 -0.05618522 -0.06800994 -0.03532944 -0.00490639 -0.00214700 +C 2.97596400 6.07358062 4.47415288 0.00186157 -0.00070122 0.00507026 -0.01323061 -0.02279979 0.01000062 -0.00355564 -0.00299729 -0.00097840 +H 2.60099916 6.38005445 7.81597820 0.00441188 0.00131921 0.01435010 0.10547923 0.04365112 0.02634458 0.01459354 0.01038272 -0.00420355 +C 4.34997554 6.36456440 4.31508128 0.00155781 -0.00364049 0.00428559 -0.00695130 -0.02688588 0.03578886 -0.00304035 -0.00399686 0.00737574 +H 2.43145635 5.66800749 3.58203231 -0.03201827 0.05999215 -0.02103536 -0.09345184 0.47519060 0.05833258 -0.00925893 0.05258209 0.00885187 +C 5.06291361 6.67489890 5.49482381 -0.00074896 -0.00702329 0.00442255 0.02125308 -0.03477835 0.03217760 0.00667901 -0.00321777 0.00218238 +H 4.73053828 6.30234884 3.29045002 0.00174460 0.00485202 -0.00844623 0.06132253 0.07795042 0.09871470 0.01570804 0.01659463 0.01864268 +C 4.45569300 6.71086247 6.77247861 -0.00122547 -0.00278596 -0.00657812 -0.00917764 -0.01345070 -0.02694579 -0.00278259 -0.00145060 -0.00195738 +N 6.40215166 7.00465934 5.43797259 0.00195847 0.00287893 -0.00167609 0.01955685 0.01307236 -0.02676560 0.00403008 0.00091116 -0.00565581 +C 3.10511469 6.38777194 6.86722793 0.00218494 0.00583806 -0.00422432 -0.01746462 0.02279573 -0.01569994 -0.00538705 0.00038564 -0.00062881 +H 4.97218435 6.97437996 7.69543683 0.02136198 0.01316394 0.01363644 -0.03020502 0.01450642 -0.10596618 -0.01309552 -0.00101649 -0.01376072 +C 7.35968695 7.18505489 6.34923954 0.00445090 -0.00267924 -0.00121528 0.02749495 -0.01158532 -0.01846662 0.00174891 -0.00061171 -0.00287834 +H 6.77116345 7.02916590 4.52010487 0.01579093 0.02078161 -0.00074268 0.04146472 0.12110975 -0.02530340 -0.01118602 0.01048215 0.00077954 +O 7.22385588 7.23633248 7.57007973 0.00023047 0.00280043 -0.00040572 0.00676612 0.01767737 -0.00752917 0.00173337 0.00205605 -0.00227751 +C 8.74631119 7.31815178 5.70437178 -0.00036086 0.00090724 0.00103744 -0.00966679 0.00600871 0.02220606 -0.00093002 0.00253933 0.00720474 +H 8.81832408 7.31966586 4.59202701 0.00216722 0.00930687 -0.01396899 -0.02863003 0.08037771 0.07760191 -0.00827476 0.01877140 0.01171011 +H 9.15468095 8.20582974 6.11528755 -0.01579406 -0.00177389 0.03626496 -0.00796551 -0.01770739 0.16470485 0.00746704 -0.01930069 -0.00182199 +H 9.22239576 6.42370854 6.15651969 -0.01793804 -0.00214716 -0.01109409 0.02826010 -0.01738426 -0.13761818 0.02643932 -0.00930836 -0.02150539 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94875312 5.75006080 5.73803420 -0.00177679 0.00038950 -0.00210333 0.01387178 0.00181247 -0.00037147 0.00425692 0.00120926 -0.00056952 +C 2.32106043 5.97235988 5.94021464 0.00225395 0.00830266 -0.00003154 -0.00248177 0.05772533 -0.01797015 -0.00069912 0.00611759 -0.00330726 +H 0.61096338 6.04546973 4.93361144 -0.00614973 -0.00951643 0.01364156 -0.05264926 -0.00115638 -0.01910903 0.00935221 -0.00426828 0.01873701 +C 3.02650767 5.35403657 6.95817073 0.00391342 -0.00350028 0.00085533 0.03729178 -0.01370608 0.00877579 0.00442633 0.00098472 -0.00093281 +H 2.48051824 7.46054157 4.32850600 -0.00585628 0.03933544 -0.00079465 0.06879466 0.05995524 0.07342241 0.00714278 -0.00290817 -0.00710170 +C 4.39511001 5.70457896 7.12960808 -0.00005109 0.00004000 0.00541155 0.01198138 -0.01808618 0.05985172 0.00167602 -0.00372595 0.00985757 +H 2.59605549 4.66278119 7.67072451 0.00953354 -0.01428395 0.00176944 0.00813463 -0.05715796 -0.06199129 -0.00705194 -0.00190333 -0.01513445 +C 5.12259910 6.57105171 6.27903559 -0.00336844 0.00510587 0.00723712 -0.00975087 0.01342849 0.05364121 -0.00045863 -0.00282803 0.00826417 +H 4.97612194 5.21712446 7.91617046 -0.02337160 -0.01831713 0.04134989 -0.21892804 -0.01769903 0.12942353 -0.01522937 0.00471134 0.00942399 +C 4.39449293 7.15444933 5.22946593 0.00776600 -0.00624873 0.00309973 0.02963853 -0.03719229 0.01205427 -0.00061192 -0.00328952 0.00002278 +N 6.51945523 6.76770181 6.50910036 -0.00350734 -0.00752695 -0.00383477 -0.04619624 -0.04769207 -0.02274933 -0.00588942 -0.00473761 -0.00221969 +C 3.02536770 6.88090883 5.09876746 0.00800742 -0.00152717 -0.00824098 0.02738754 0.00275040 -0.05862572 0.00143061 0.00047069 -0.00491002 +H 4.82968337 7.81103456 4.47043483 -0.02999182 0.00644724 0.01242951 -0.04930498 0.08829203 0.09916847 0.02363411 0.01448153 0.01325367 +C 7.42633662 7.18878824 5.62748797 -0.00549900 0.00527443 -0.00803659 -0.03509139 0.04139998 -0.01045083 -0.00575273 0.00543762 0.00529188 +H 6.70274464 6.61670434 7.48903068 0.00137757 -0.01784363 -0.01079042 0.16028214 -0.09005822 -0.08124929 0.02965492 -0.00946771 -0.01598343 +O 7.16225510 7.24561855 4.45101769 0.00000655 -0.00129199 0.00060923 0.00634257 -0.00512881 -0.02201960 0.00167292 0.00004694 -0.00680573 +C 8.75218712 7.77221284 6.18187462 -0.00401973 0.00239299 -0.00001646 -0.03430199 0.02522004 -0.00564218 -0.00459623 -0.00022086 -0.00102353 +H 8.90961214 7.55128849 7.23809709 0.02720697 0.00666302 0.00171759 0.10483985 0.01893573 -0.04449189 -0.00412600 -0.00442945 -0.01107331 +H 9.58897352 7.39566359 5.59912960 -0.01030422 -0.00763466 0.00337144 -0.05462535 -0.04077824 -0.00073169 -0.00899327 0.00045992 -0.00464269 +H 8.71650884 8.92055465 6.04224481 0.00711872 0.01682051 0.01099249 0.06054777 -0.09741816 0.08097131 0.00797754 0.01411217 0.00239043 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03358497 5.66817701 5.75865643 0.00492564 0.00020395 -0.00042599 0.02520702 0.00873097 -0.00211784 0.00141142 0.00263022 0.00172062 +C 2.32744760 6.13936573 5.91992362 0.00126443 0.00073931 0.00170967 -0.01628649 -0.01051901 0.01227322 -0.00251502 -0.00425925 -0.00125271 +H 0.74780363 5.42039648 4.90004747 -0.02163798 -0.02522218 -0.01016484 0.01736817 -0.11017010 0.07688280 0.01996702 -0.01588082 0.00508685 +C 2.69743930 6.85581998 7.09791274 0.00035178 -0.00189392 0.00183174 0.01435431 -0.01107736 -0.01609959 -0.00062564 0.00093882 -0.00300660 +H 2.91317369 5.20318916 4.09543460 -0.00086946 -0.01344873 -0.02032833 0.01830006 -0.05476574 -0.04217146 0.00572984 0.00109747 0.00879081 +C 4.08802719 7.19203107 7.21596959 -0.00469212 -0.00058205 0.00704116 -0.00681045 0.00551031 0.04291382 0.00369290 0.00407600 0.00666414 +H 1.98937163 7.15629354 7.75819134 -0.02176126 0.02408391 -0.02164575 -0.09676427 0.11996223 -0.05912657 0.03322946 -0.01082633 -0.02251193 +C 5.08435254 6.76594737 6.26571847 0.00744873 0.00759682 0.00334314 -0.00962353 0.03130467 0.01923983 -0.01106049 -0.00015550 0.00127485 +H 4.42665758 7.77994485 7.97269366 0.00117796 0.02865818 0.01685590 -0.08901448 0.08906305 0.09961072 -0.03170324 -0.02529109 -0.01597308 +C 4.61248725 6.02494882 5.15741354 -0.00052039 -0.00616551 0.00044822 -0.02582513 -0.03285675 0.01774940 -0.00530972 -0.00270668 0.00418908 +N 6.41783422 7.07700002 6.49237804 -0.00092318 -0.00279770 -0.00328349 -0.00911079 -0.01086197 -0.00307052 -0.00118037 0.00021323 0.00292171 +C 3.23112661 5.73821920 4.96632637 -0.00587879 -0.00036766 -0.00964128 -0.00710658 0.00101172 -0.06271518 0.00202425 0.00087874 -0.00556109 +H 5.30831651 5.61874082 4.40677128 -0.03772812 -0.00620277 0.02649658 -0.06260653 -0.11258040 -0.00326468 0.01920241 -0.01794908 -0.01674128 +C 7.45829202 6.96938133 5.64924323 -0.00059928 0.00156018 0.00469846 -0.01938842 0.01847558 0.00974328 -0.00329596 0.00312554 -0.00326640 +H 6.52831261 7.47933807 7.38724639 -0.00114871 0.00336032 0.01621080 0.08996188 -0.01321368 -0.02826087 0.02113593 -0.00627800 -0.01881975 +O 7.38763498 6.52341716 4.49759388 0.00009360 0.00404110 0.00001583 0.00582393 0.03008046 0.00947678 0.00105166 0.00441346 0.00261287 +C 8.70296540 7.61308036 6.14880844 0.00354488 -0.00320811 -0.00263201 0.04161007 -0.02514776 -0.04372339 0.00679439 -0.00482296 -0.00600373 +H 9.40475457 6.80681262 5.87168108 -0.00278794 -0.00354133 0.01201031 0.09350838 -0.01253308 0.19737821 0.02823855 -0.00437809 0.03298774 +H 9.02675048 8.46860914 5.53707191 0.01620312 0.00066388 -0.02609591 0.01496733 -0.07711029 -0.05464383 -0.00322048 -0.00819755 -0.00015996 +H 8.67508899 7.86597664 7.20426529 -0.00923864 -0.00919689 -0.02221774 -0.00518258 -0.01611285 -0.01485454 0.00740376 0.00780001 0.00092187 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.90178353 5.88653859 5.87962206 0.00003117 0.00378709 -0.00608804 0.00954384 0.02362080 -0.04492492 0.00247270 0.00291778 -0.00630795 +C 2.27503528 6.04458050 5.96437047 -0.00094752 -0.00305308 0.00663867 0.01337267 -0.00476216 0.04629378 0.00554763 0.00093338 0.00136219 +H 0.62686584 5.57430600 5.06328516 -0.01329306 0.00534563 -0.01594973 -0.04486334 0.06468754 -0.04735932 0.00636434 0.01522215 0.00700404 +C 2.81598328 6.49949737 7.23645195 0.00167820 -0.00113356 0.00645847 0.01606321 -0.02179456 -0.00064894 0.00134999 -0.00420888 -0.00441593 +H 2.65781119 5.78058297 3.88049271 -0.03081977 -0.00501789 0.00627242 -0.06595389 -0.06624193 0.02118120 0.02529524 -0.01013747 0.00647776 +C 4.21115986 6.76894943 7.28412206 0.00444958 0.00246783 0.00135550 0.00258430 0.00407322 0.01072710 -0.00318377 -0.00186911 0.00197027 +H 2.21540661 6.64541376 8.11776004 -0.02321124 -0.00408696 -0.01266067 -0.11736187 -0.01875510 -0.08666963 0.00338081 -0.00223610 -0.01294404 +C 5.10202169 6.57165433 6.19516940 -0.00273417 -0.00056680 0.00461404 -0.02720473 -0.01287137 0.00641160 -0.00431156 -0.00208093 -0.00086394 +H 4.53965619 7.18512874 8.25078655 -0.00239295 -0.02110123 -0.01621449 0.10012365 -0.10181283 0.01439226 0.02491247 -0.00382883 0.01994813 +C 4.56731650 6.14660983 4.88001474 -0.00110684 -0.00345491 0.00405192 -0.03354468 0.00063570 0.06193839 -0.00534989 0.00269249 0.01011616 +N 6.41754270 6.90899290 6.51337298 -0.00171739 0.00251905 0.00257330 -0.02134153 0.01153196 -0.01680270 -0.00335312 0.00145521 -0.00395474 +C 3.12167980 5.93874103 4.82414725 0.00605884 -0.00012727 -0.00660854 0.02791367 -0.00032239 -0.01513075 -0.00264053 -0.00033937 0.00476465 +H 5.05519009 6.21539947 3.92786363 -0.00950465 -0.00782684 -0.00284832 0.07178373 -0.13650326 0.09916118 0.01922750 -0.02671214 0.03916521 +C 7.45126309 7.07298047 5.63470021 -0.00647551 -0.00286935 0.00083722 -0.01058019 -0.00265508 0.02603636 0.00448693 0.00164324 0.00217120 +H 6.47019301 7.11993126 7.47285507 0.00094663 0.00116145 -0.01025687 0.14885544 0.07762177 0.00239803 0.02414513 0.00886018 -0.02378674 +O 7.50307598 6.76136957 4.46519834 0.00372510 0.00111944 -0.00358565 0.01137850 0.00262586 -0.02547936 -0.00074797 -0.00005830 -0.00183294 +C 8.69770444 7.78600543 6.20552955 0.00330353 -0.00136690 -0.00226115 0.01634046 0.00731559 -0.02309096 -0.00198075 0.00237493 0.00008363 +H 8.56521974 8.85102195 6.30739906 -0.01563744 0.01645388 0.02236405 -0.10685124 -0.03285325 0.04774637 -0.01043034 -0.02182883 -0.00688729 +H 9.03521391 7.50815803 7.18750339 0.00493859 0.01006776 -0.02998980 0.00854844 -0.10999543 0.00568068 -0.00510929 -0.02972367 0.00556161 +H 9.63135308 7.61025560 5.56865369 0.00286145 0.01251996 -0.00269536 -0.08872529 0.10902959 -0.04653524 0.00390372 0.01495651 -0.03135017 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.93876176 5.61469966 5.91836167 -0.00482405 0.00002271 0.00060786 -0.01327929 0.01291690 0.00269768 0.00126399 0.00514403 0.00021634 +C 2.24996173 6.10110606 5.91090200 -0.00104778 0.00524896 -0.00579253 -0.01733207 0.01869258 -0.03906380 -0.00385940 -0.00137143 -0.00519348 +H 0.84195336 4.63800584 5.88391913 0.00357191 0.00465949 -0.01291598 0.04538922 0.03797808 -0.09030370 0.00562515 -0.01603837 -0.01394331 +C 2.51195136 7.50242390 5.86523157 -0.00380867 0.00260093 -0.00129147 -0.00566059 0.01049491 -0.01707630 0.00180132 0.00061979 -0.00348352 +H 3.06587398 4.15533979 5.81827596 0.01072574 0.02329345 0.03512625 0.11915094 -0.10298720 0.27200161 0.01681776 -0.02285438 0.03209654 +C 3.84598496 8.00790170 5.82791883 -0.00056555 -0.00100688 0.00349784 0.01417797 -0.00543893 0.02152251 0.00217223 -0.00293030 0.00287990 +H 1.72389409 8.23247657 5.74040017 -0.00053860 -0.00941519 0.00004662 -0.08510660 -0.04605775 0.04995013 -0.01221310 -0.00452890 0.01274796 +C 5.01640719 7.13651464 5.88587397 -0.00057832 0.00424631 0.00362891 -0.02868584 -0.03140403 0.02166821 -0.00417509 -0.00975850 0.00191590 +H 3.97858731 9.09774989 5.69095182 -0.01492567 0.00837316 0.00288017 -0.05386207 -0.04428512 0.08889383 0.00765282 0.00476492 0.01884139 +C 4.64542928 5.70189925 5.91179966 0.00416876 0.00012853 -0.00299706 0.04685034 0.01473481 -0.01058061 0.00413703 0.00147115 0.00038281 +N 6.39699835 7.48756727 5.96196676 -0.00020193 0.00474697 -0.00135272 -0.00844456 0.02794088 -0.00466902 -0.00439593 0.00256576 0.00046110 +C 3.34740047 5.20710687 5.90211409 -0.00352352 -0.01177105 0.00042173 -0.03424861 -0.02765559 0.00097626 -0.00198146 0.00332106 0.00076280 +H 5.38883712 4.92979398 5.97943796 0.02675082 -0.00087972 0.02176357 0.09377331 0.09982139 0.08190251 0.00072235 0.02045350 0.00117056 +C 7.56955602 6.76646254 5.88935580 -0.00080451 -0.00524159 0.00353294 -0.03008685 0.01148068 0.02700058 -0.00437288 0.00549162 0.00318387 +H 6.61633875 8.44417678 6.21513568 -0.00819867 -0.00141515 0.00981556 -0.10151685 0.03817671 0.02471816 -0.01504295 0.01100807 -0.00397362 +O 7.66630019 5.60203983 5.62962811 0.00394303 -0.00538108 -0.00173716 0.02646779 -0.04797004 -0.01420521 0.00293648 -0.00576805 -0.00164013 +C 8.78722354 7.61543304 6.19961426 0.00248864 0.00242628 -0.00063165 0.04284207 0.00018081 -0.01186649 0.00683830 0.00024059 -0.00060527 +H 9.59095883 6.88176759 6.39123147 0.02509963 0.00559809 -0.00837628 0.10270498 0.11440270 -0.12095330 0.01594858 0.01284451 -0.02226690 +H 9.13592832 8.26148319 5.39276604 -0.00109113 0.02461024 -0.00791067 -0.10818465 0.07611197 0.02384805 -0.02651469 -0.00075570 0.00734472 +H 8.74143740 8.11135213 7.13265726 0.01913697 0.00439896 -0.00810123 0.04036349 0.10116750 0.00587904 -0.00525446 0.00410376 -0.01395598 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.06370739 5.67269379 5.82481753 0.00538759 -0.00304790 -0.00321057 0.03360788 -0.01874472 -0.02743915 0.00390112 -0.00269479 -0.00468936 +C 2.33990756 6.14106633 5.81660632 0.00553576 0.00619058 0.00426244 0.01360930 0.01595724 0.03533848 -0.00236384 -0.00359650 0.00453951 +H 0.94250349 4.86332918 5.42019981 0.00889519 -0.01358671 -0.00828801 0.09141430 -0.04095083 -0.01952519 0.01790161 0.01192571 0.00749900 +C 2.56453124 7.49314466 6.18145850 0.00111797 -0.01227671 -0.00330584 0.03021321 -0.04594292 -0.00941186 0.00763595 0.00179921 0.00182434 +H 3.17170424 4.19450017 5.48242911 -0.02323542 0.03104595 0.01214802 -0.15068024 -0.01850738 0.06342493 -0.00341576 -0.00217457 0.00636872 +C 3.93597662 7.87247105 6.29690313 -0.00340307 0.00505461 -0.00013285 0.00109932 0.03223281 0.00399267 0.00178104 0.00203389 0.00060210 +H 1.78883772 8.18927801 6.38856396 -0.01318512 0.01412549 0.02593849 0.03376153 -0.10275092 0.06800105 0.01553359 -0.03617104 -0.00777583 +C 5.02134890 6.94047642 6.07644042 -0.00088723 -0.00054994 0.00262423 -0.02818747 0.03436303 0.02849872 -0.00631188 0.00802663 0.00494701 +H 4.26488064 8.85756202 6.62045224 0.01167219 0.03499438 0.01728776 -0.13640637 0.01468547 -0.01194583 -0.03686908 -0.00653849 -0.01211158 +C 4.76724293 5.59832657 5.82186194 -0.00366676 0.00419680 0.00398092 -0.06577277 0.01839716 0.03001430 -0.01209259 0.00020155 0.00362505 +N 6.30551235 7.42587524 6.26133267 -0.00295339 -0.00384280 0.00224174 -0.01825130 -0.03638058 0.01407415 -0.00163056 -0.00372993 0.00261422 +C 3.39324294 5.20610855 5.70722477 -0.00806345 0.00287713 -0.00259812 -0.02650384 0.03765822 -0.02160315 -0.00144543 0.00405492 -0.00319301 +H 5.58459011 4.91831139 5.87299800 -0.01609500 0.00169441 -0.00580787 -0.11517117 -0.09336895 -0.11994845 -0.02680385 -0.00675154 -0.02128730 +C 7.41809683 6.85848630 5.81571423 0.00116404 0.00667995 0.00175342 0.01206759 0.01848912 -0.02203625 0.00166467 -0.00324088 -0.00867347 +H 6.46500411 8.28813207 6.74176175 -0.00877050 -0.01559999 -0.01787163 -0.09192783 0.03299489 -0.01364216 -0.01477270 0.00005623 0.00242036 +O 7.50333588 5.95515215 4.98713362 0.00485919 -0.00691146 -0.00280841 0.02512803 -0.04011014 -0.00591428 0.00220738 -0.00343671 0.00189348 +C 8.68163578 7.49395273 6.21936378 0.00211512 0.00093110 -0.00495708 0.02022078 0.01934576 -0.01794046 0.00620546 0.00386700 -0.00096891 +H 9.02764836 7.22492363 7.20413356 0.00639794 0.01607787 -0.00615571 0.02120801 0.05760435 0.01274768 -0.00456123 -0.00151682 0.00113549 +H 9.38092238 7.13901003 5.49298067 -0.02406201 0.00584783 0.01571698 0.11515647 0.00615330 -0.03247804 0.03022810 0.00676556 -0.00298168 +H 8.60024816 8.58646832 6.09036238 0.00932292 -0.01926243 0.01202589 0.06940053 0.02882399 0.06721382 0.00716654 0.02691348 0.00257859 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01377434 5.52521398 5.72704803 0.00293514 0.00049816 -0.00404774 0.03399465 0.01118606 -0.02332214 0.00711815 0.00333360 -0.00467639 +C 2.28258356 5.99623080 5.93582277 0.00767974 0.00590304 0.00240971 0.05203710 0.04010302 0.01426610 0.00312350 0.00320400 0.00141345 +H 0.74355330 5.59183292 4.85874382 0.01816661 -0.00549187 -0.00427649 0.08537358 -0.02747254 -0.07424625 0.01468262 -0.00474081 0.01763822 +C 3.00304048 5.74028892 7.12450409 -0.00871612 -0.00569674 0.00112680 -0.04601885 -0.05863192 0.01013953 -0.00047157 -0.00933630 0.00307410 +H 2.58676931 6.83658644 3.96614220 -0.00900512 -0.01209310 0.02480756 -0.06501687 0.03822050 0.04412035 -0.00671665 0.01990189 -0.01335412 +C 4.39033481 5.89126031 7.26784031 -0.00099702 -0.00123867 0.00584466 -0.02183563 0.01111636 0.04512704 -0.00515672 0.00362192 0.00701362 +H 2.44676550 5.13154848 7.86416742 0.02644793 0.01218748 -0.01022937 0.03620137 0.00047529 0.11223486 -0.02351551 -0.01463014 0.03379597 +C 5.09346550 6.62734049 6.31874544 0.00304621 0.00503398 0.00187506 0.01591192 0.00533596 0.01810696 -0.00138231 -0.00292070 0.00109198 +H 4.85521537 5.53905095 8.16130861 -0.00817409 -0.00158535 0.00346041 -0.00777690 -0.03740042 0.05548994 -0.00122425 -0.00164976 0.00021506 +C 4.39961352 6.94432393 5.19221239 -0.00707419 -0.00119917 0.00397356 -0.04294023 0.03759999 -0.02980720 -0.00309992 0.00921552 -0.00709994 +N 6.46978863 6.73487257 6.41455074 0.00391170 -0.00094676 -0.00099224 0.01034996 -0.00473591 -0.00706998 -0.00172135 -0.00147915 0.00082212 +C 3.03284981 6.67458616 4.95550832 0.00462486 0.00027541 -0.00331532 0.01415560 -0.02041697 -0.00685946 -0.00156180 -0.00498034 0.00081923 +H 4.85895343 7.51123969 4.36425277 -0.02083757 0.01351427 -0.01979512 -0.08911944 -0.03425507 -0.00440939 0.01221967 -0.00185136 -0.00986663 +C 7.37503441 7.28840508 5.59378439 -0.00497394 -0.00698299 -0.00117089 -0.01133198 -0.03979468 -0.00494715 0.00270004 -0.00298590 -0.00171787 +H 6.90079916 6.27882432 7.21089815 -0.02203382 0.00641995 -0.00644332 -0.07779310 0.01698557 0.06712579 0.00221608 0.00455752 0.01250660 +O 7.22892839 7.84896428 4.52934572 0.00177179 0.00134281 -0.00013645 -0.00743213 0.00860975 -0.00709902 -0.00400673 0.00051813 -0.00118500 +C 8.75885982 7.23321152 6.12355265 -0.00221528 -0.00141895 -0.00445235 -0.01051845 -0.00344244 -0.00836557 -0.00156410 0.00014342 -0.00109008 +H 8.95644280 6.17212313 6.46504573 0.01155903 0.00135211 0.01484754 0.11963099 0.13185907 0.03699695 0.02679705 0.00261446 0.00339763 +H 9.39958873 7.50696570 5.25496011 -0.02567799 0.01311083 -0.01397725 -0.05147654 0.05560564 0.02679342 0.01952839 0.00278446 0.00916754 +H 8.78398445 7.97775000 6.98374740 0.00327135 0.01996204 0.01684093 0.08677603 -0.05721181 -0.13176557 0.01887682 0.00055307 -0.01365063 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92459518 5.75327478 5.95255002 0.00223462 -0.00115835 0.00088225 0.00767564 0.00385262 0.00574654 -0.00033269 -0.00007925 0.00075841 +C 2.20642435 6.17002034 5.85805668 -0.00235389 -0.00711670 0.00135529 0.01208105 -0.00695168 0.00834577 0.00670530 0.00544274 0.00048401 +H 0.89036071 4.81832309 5.83392940 0.00442361 0.02172726 0.01670520 -0.03247308 -0.03801063 0.09538715 -0.01011136 0.00605470 0.01262539 +C 2.61878853 7.50208675 6.07063945 0.00217307 0.00714620 -0.00601983 0.02927232 0.02139552 -0.02838457 0.00287877 -0.00343649 -0.00210273 +H 3.01820750 4.14828538 5.60035760 0.00855265 -0.02235503 0.04150888 -0.01835462 0.06333033 0.14384316 -0.02124357 -0.00763765 -0.00414573 +C 4.02479506 7.77666071 6.26582431 0.00149371 -0.00054860 0.00509902 -0.01409019 0.00768068 0.02115754 -0.00365432 0.00207910 0.00087879 +H 1.94967621 8.36898185 6.22457132 -0.00969336 -0.03175042 -0.00280172 -0.15194853 -0.16107526 -0.00811645 -0.02199646 -0.00309858 0.00070433 +C 5.01793087 6.78888356 6.03982826 -0.00461785 -0.00141080 -0.00260330 -0.00400382 0.02742443 -0.00436669 0.00240152 0.00721963 0.00082168 +H 4.26824970 8.81188397 6.51022079 0.00638977 0.00819410 0.02006680 0.05312644 -0.07136202 0.10494634 0.00694699 -0.01074522 0.01253719 +C 4.64190006 5.49928491 5.73654219 0.00003499 0.00154073 -0.00273590 -0.04327182 -0.00169551 -0.03645466 -0.00748448 -0.00230775 -0.00760127 +N 6.32900286 7.24487767 6.24643922 0.00309183 0.00147220 0.00169997 0.01243249 0.00329372 0.01261306 -0.00067045 0.00170575 0.00301874 +C 3.22864567 5.24438778 5.65667928 -0.00719572 0.00301651 -0.00413627 -0.01112207 -0.03735478 -0.01184394 0.00355087 -0.00896769 0.00138170 +H 5.25120464 4.68055368 5.54795490 0.00592308 -0.00137673 -0.01026175 0.12378870 0.04590849 -0.00778141 -0.00121608 0.03410870 0.01218499 +C 7.55505372 6.90776130 5.83185974 0.00229443 -0.00190747 -0.00283607 -0.00805424 -0.02075723 -0.03160299 -0.00356186 -0.00116323 -0.00327445 +H 6.40701307 8.04329845 6.81880198 -0.01151138 -0.01232736 -0.01637614 -0.08180425 0.08671193 0.00791952 -0.00454568 0.00125990 -0.00423955 +O 7.72953801 6.01294760 5.00510407 0.00051168 0.00400994 0.00452565 0.00573027 0.01404371 0.02450017 0.00117846 -0.00166394 0.00089227 +C 8.71933340 7.72404667 6.26585841 0.00071687 -0.00228654 0.00114291 0.01577531 -0.02648561 0.00703642 0.00118979 -0.00219356 0.00249101 +H 8.43944988 8.49841966 6.91606441 -0.02448369 -0.01103402 -0.02445104 -0.15378617 0.10710190 -0.11191849 0.00163184 0.00349973 -0.02087238 +H 9.32302496 7.08076545 6.91363544 0.01480741 0.00022594 -0.00816820 0.12032159 0.01580586 -0.07290061 0.01565275 0.00407050 -0.00245060 +H 9.27381085 8.02098047 5.34979801 0.00786248 0.00164637 0.00222567 0.03457546 0.05960147 0.10021300 0.00663714 0.01609934 0.00798014 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99739577 5.76361759 5.60366604 -0.00130582 -0.00325283 -0.00278612 -0.01913674 -0.01337566 -0.01285181 -0.00171819 -0.00244277 -0.00212073 +C 2.27555624 6.11704959 5.88291193 -0.00195225 0.00319844 -0.00854189 0.00232616 0.01036055 -0.06279860 0.00216810 0.00187108 -0.00716428 +H 0.35633244 6.38965033 5.96036834 -0.01458366 0.00631089 0.00786271 -0.00687474 -0.06501866 -0.01734595 -0.01738019 0.00514707 0.00496235 +C 2.58711859 7.38933045 6.38640371 0.00419940 -0.00068580 0.00869343 0.02418974 -0.01918296 0.05182317 -0.00189731 -0.00651849 0.00393086 +H 3.11698149 4.20809822 5.02599358 0.00905146 0.01565967 0.01998608 -0.02300381 0.04628115 0.14539055 -0.01495324 -0.01380134 0.01550400 +C 3.97206983 7.74127563 6.56646603 -0.01074031 -0.00638994 0.00275450 -0.05725806 -0.02982053 0.00856154 -0.00178301 0.00018978 0.00070003 +H 1.83606346 8.12717273 6.60383311 -0.00312193 -0.00562940 -0.00978267 -0.02145032 -0.03596251 -0.01955059 0.00376795 -0.00650453 0.00895877 +C 5.03164484 6.89272862 6.19267205 -0.00250399 -0.00435539 -0.00958619 -0.01712342 -0.02260388 -0.06399977 0.00057448 0.00272130 -0.00671446 +H 4.25133141 8.71349394 6.79914375 -0.03330219 0.01225128 0.00867698 -0.23945309 0.02776576 0.11924843 -0.02769361 -0.03093351 0.01467001 +C 4.67119080 5.57425687 5.71383309 0.00521246 0.00007867 -0.00329073 0.01722004 0.00651078 -0.02516374 -0.00085973 0.00101850 -0.00379477 +N 6.32593830 7.40889828 6.19876607 0.00765455 0.00806427 -0.00033861 0.05633384 0.04920580 0.00643061 0.00174929 0.00274203 0.00123746 +C 3.30745126 5.19228211 5.50742899 0.00008221 0.00302823 0.00827765 0.01842904 0.04345431 0.06629492 0.00493455 0.00788555 0.00933859 +H 5.42853432 4.85166507 5.39591086 -0.00479380 0.00143108 0.00003999 -0.00591602 -0.00903723 -0.00281884 0.00740385 -0.00767665 -0.00267571 +C 7.53219576 6.88053290 5.78729694 -0.00207528 0.00253358 0.00377408 -0.03730660 0.01630885 0.02291199 -0.00321191 0.00149391 0.00162617 +H 6.53065122 8.33136077 6.65842186 0.00288334 0.00704062 0.00349465 -0.09688442 0.02130009 -0.01281390 -0.01555691 0.02992880 0.00729500 +O 7.53496550 5.78024470 5.24601056 -0.00470269 -0.00057834 0.00218467 -0.01540352 0.00187321 0.01698763 -0.00031549 0.00159338 0.00302172 +C 8.78722821 7.75257603 5.98768120 0.00445057 -0.00613681 -0.00172162 0.05457151 -0.03507100 -0.02414348 0.00729722 -0.00508408 -0.00306166 +H 9.60960106 7.25558230 6.53153021 0.01770518 0.00045807 0.00646659 -0.01748086 -0.06176871 -0.01833359 -0.00773180 -0.02574817 -0.00708642 +H 9.25879777 8.02833890 5.00482398 0.01247635 0.00931884 -0.02411349 -0.06511594 -0.03591030 0.02718114 -0.01065808 -0.01234164 -0.00477306 +H 8.60776607 8.68654148 6.54655261 0.04233145 0.00591986 -0.00266008 0.18143910 -0.03084467 -0.06002881 0.00471284 -0.00532033 -0.00711021 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02281550 5.62953725 5.75298197 -0.00074261 0.00104789 0.00312828 -0.01797069 -0.00855603 0.03300823 -0.00598105 -0.00241827 0.00438651 +C 2.33379875 5.90842682 5.89989564 -0.00426456 -0.00181567 0.00089558 -0.02308056 -0.00201005 -0.00462108 -0.00144148 0.00192927 -0.00220695 +H 0.47147335 6.14383992 5.18601800 0.00489296 -0.05349850 -0.01211961 0.04078288 -0.22076436 -0.19136582 0.02751905 -0.02621769 -0.01338094 +C 3.18340765 4.94085667 6.42667244 -0.00298908 0.01007583 0.00035156 -0.01882588 0.04086421 0.01757815 -0.00075537 0.00013871 0.00426544 +H 2.22107237 7.83761160 5.02108428 -0.03613410 -0.02358181 0.02662926 -0.22287028 -0.05887798 0.09588256 0.00142292 -0.00576922 0.00573425 +C 4.56291764 5.18286445 6.53925695 0.00394679 -0.00617936 -0.00208694 0.02057841 -0.03286227 -0.01571441 0.00068823 0.00057487 -0.00346900 +H 2.71143591 4.05189372 6.78825489 -0.01993308 -0.00429282 -0.01308310 -0.00573300 0.00306095 -0.09977991 0.01581606 0.00491075 -0.00840086 +C 5.06626868 6.43120840 6.11946631 0.00282381 -0.00183674 -0.00553612 0.03707040 -0.01454526 -0.05177937 0.00404343 -0.00251775 -0.00897548 +H 5.18485927 4.35497836 6.91432489 0.02307437 -0.00087095 0.00840343 0.07799658 0.09170056 0.02493446 0.00501515 0.00529271 0.00378954 +C 4.21238114 7.36804308 5.52401315 0.00661248 0.00934033 -0.00272966 0.03288068 0.06089645 -0.01403719 0.00239067 0.00713870 -0.00161479 +N 6.47425160 6.56033342 6.09138266 -0.00284181 -0.00095346 0.00215040 -0.02405174 -0.01312817 0.01556574 -0.00091669 -0.00331923 0.00277483 +C 2.84969145 7.10602866 5.43934316 -0.00417391 -0.00170228 -0.00193353 -0.02429751 0.00120871 -0.01168722 -0.00331093 0.00407081 -0.00165961 +H 4.53169776 8.29991782 5.13539268 0.01685982 0.00764144 0.00168229 0.15966748 0.07110190 0.01451016 0.01255783 -0.00323623 0.00901389 +C 7.37779796 7.50920088 5.78920403 -0.00200178 -0.00274257 -0.00460108 -0.01003683 -0.02027579 -0.01490410 -0.00026364 -0.00458496 0.00079136 +H 6.88542511 5.68269738 6.28023126 -0.00534523 0.00514215 0.03425619 0.00973990 0.05306936 0.24558050 -0.00238162 0.02384905 0.02621505 +O 7.18776610 8.68622216 5.47532606 0.00372361 -0.00510208 0.00389435 0.01319893 -0.03439988 0.02233710 -0.00026011 -0.00383360 0.00203803 +C 8.79176619 7.04097912 5.99625737 0.00023375 0.00305942 -0.00080199 0.01427620 0.00571839 -0.00268008 0.00269292 0.00288227 0.00099885 +H 8.77638759 5.97065125 6.34494671 -0.00534991 -0.00454829 -0.01273554 0.01772836 0.04479124 -0.10240868 0.01605608 -0.01093816 -0.00524806 +H 9.32822846 6.98805351 5.01396717 0.01628133 0.02463966 0.01079637 0.09986122 0.22687548 0.11252580 0.01732313 0.03437391 0.00251156 +H 9.35055223 7.51861610 6.77154797 -0.00440593 0.02927052 0.01074522 -0.10758975 0.18862287 -0.02872907 -0.02971603 0.00831721 -0.01932227 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97921476 5.69223949 5.81628112 -0.00108537 0.00335180 -0.00454576 -0.01227590 0.02335184 -0.03362497 -0.00077811 0.00332593 -0.00428260 +C 2.28793935 5.96415807 5.92843205 -0.00070417 -0.00334134 0.00496742 0.02936953 -0.01824730 0.01545896 0.00683255 -0.00165046 -0.00303766 +H 0.53892167 6.18273044 5.09667376 0.02646593 0.00854337 -0.00345565 0.15001236 0.06480263 -0.07179187 0.00758767 0.01300238 -0.02316525 +C 2.95844871 5.57152530 7.11576528 -0.00205703 -0.00489234 -0.00047708 0.01831928 -0.02829273 -0.01186938 0.00555258 -0.00515190 0.00050736 +H 2.78379743 6.82832604 3.92175862 -0.00062650 0.04050974 -0.00806591 -0.14984008 0.18918312 0.06099537 -0.03162097 0.00295346 0.03261381 +C 4.36676525 5.86767708 7.22845773 0.00046875 0.00203477 0.00298677 -0.01295715 0.00476145 0.04604653 -0.00185587 0.00002163 0.00961624 +H 2.46896273 5.02693211 7.85759579 0.00503518 -0.01492146 -0.00412321 -0.02208499 -0.05265465 0.03370871 0.00414104 0.01740043 -0.01063208 +C 5.10797910 6.50653633 6.23447722 -0.00060382 -0.00614327 -0.00247836 0.02452978 -0.02316229 -0.00126859 0.00546443 -0.00110411 0.00359081 +H 4.85090795 5.64495490 8.12225279 0.00590298 0.02019495 0.03209447 -0.02694836 0.07210068 0.10316390 -0.02075377 0.00141225 -0.01682981 +C 4.45755098 6.89431404 5.08284681 -0.00342338 -0.00203277 0.00359833 -0.05211820 -0.02213580 0.00569670 -0.00920163 -0.00461348 -0.00177165 +N 6.47159876 6.81878728 6.45648532 0.00440408 0.00357576 0.00685659 0.01366687 0.01638213 0.04656670 0.00030153 0.00227110 0.00402528 +C 3.09214563 6.56857715 4.90327687 -0.00125020 -0.00096290 -0.00599585 -0.02267007 -0.00054903 -0.03090729 -0.00688533 0.00106225 -0.00155006 +H 4.92500089 7.46647893 4.26922026 -0.02598146 -0.01162017 0.00150834 -0.09113871 -0.06864652 -0.02192784 0.00765736 0.00029898 -0.01153416 +C 7.38926130 7.37534642 5.64896745 0.00642947 -0.00020376 0.00143528 0.02553858 -0.01552856 0.00303800 -0.00149126 -0.00285637 -0.00206225 +H 6.77239539 6.47115812 7.39114966 0.00067270 0.03765765 0.00976099 0.07941568 0.25317522 0.05442283 0.01915854 0.02387730 0.02285086 +O 7.09794708 7.87637729 4.57386386 -0.00577396 0.00330733 -0.00602976 -0.02208309 0.02090553 -0.03193331 0.00001815 0.00159952 -0.00136982 +C 8.85240164 7.22459319 6.11141803 0.00306116 -0.00400238 -0.00055877 0.01182786 0.00109218 0.01116274 0.00208246 0.00215824 0.00182313 +H 9.11814690 6.39318300 6.76666884 0.01590557 0.01499767 -0.02044761 0.01269764 -0.09758651 -0.07918383 -0.01500976 -0.03009905 -0.00646994 +H 9.58027229 7.23043375 5.29780137 -0.02325274 -0.01397063 0.01804351 -0.04319951 -0.04228548 -0.07777655 0.00128120 0.00151413 -0.02698505 +H 8.99126405 8.08878963 6.77908229 0.02066387 -0.00389327 0.00582194 0.18628342 -0.03204697 -0.05329429 0.02949723 0.00449183 -0.01085884 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98405795 5.71203968 5.79491768 0.00634242 0.00239385 -0.00311315 0.02850043 0.01390506 -0.00945989 0.00189228 0.00165479 -0.00170296 +C 2.24916046 6.07285989 5.93918491 0.00500849 -0.00251224 0.00272031 0.08628248 -0.01358128 0.01013508 0.01396390 -0.00177183 -0.00058685 +H 0.73951679 5.66746021 4.89949683 -0.01205648 0.00697855 0.02529247 -0.11623343 0.04098833 -0.00784858 0.00021506 0.00757239 0.01574554 +C 2.85413632 6.21402913 7.18644071 0.00818342 0.00485933 -0.00462747 0.02766184 0.03042611 0.00298801 -0.00330144 0.00216811 0.00666477 +H 2.72617115 5.97417389 3.89029853 0.01980726 -0.00100233 0.01555101 0.10153562 -0.01229553 -0.06879960 -0.00335511 -0.00170460 -0.03250108 +C 4.24561049 6.53507862 7.36638883 -0.00974431 -0.00234284 0.00132563 -0.04128551 -0.02477580 -0.01139280 0.00172274 -0.00370080 -0.00008299 +H 2.25253857 6.10048913 8.00775980 -0.01312299 -0.02291797 0.01363443 0.01339595 -0.07918486 0.01998898 0.02847479 0.00792792 -0.02413956 +C 5.14143953 6.58994463 6.24168664 0.00774886 -0.00337072 0.00431889 0.00069197 -0.01973494 0.05940190 -0.00965145 -0.00256365 0.00748688 +H 4.58586760 6.63382337 8.36198823 -0.01709216 -0.01198452 -0.00776427 -0.05113837 -0.06011140 0.04590586 -0.00581350 -0.00634479 -0.00416082 +C 4.57884688 6.48542977 4.99186247 -0.00211607 -0.00158079 -0.00250581 -0.05111205 -0.03563025 -0.01684830 -0.00856340 -0.00754071 0.00058202 +N 6.48657267 6.74803856 6.51765349 -0.00386001 0.00138866 0.00576667 -0.00487556 0.01766679 0.03868025 0.00342032 0.00352613 0.00581991 +C 3.18461891 6.15862522 4.87708869 -0.00919893 0.00204378 -0.00145577 -0.04929980 0.02408631 -0.02306578 -0.00168015 0.00448319 -0.00631229 +H 5.10225764 6.45804216 4.05578875 0.00989143 -0.00703825 0.01442618 0.06716669 -0.02785139 0.03324796 -0.00679832 -0.00340109 0.00001239 +C 7.39366243 7.20285928 5.63823786 0.00304736 0.00246362 0.00068007 0.00989857 -0.00466538 0.00747160 -0.00235298 -0.00340400 -0.00083979 +H 6.75890550 6.54800206 7.43186927 -0.00050621 -0.00517418 0.02244171 0.01079275 0.03489079 0.05469367 0.00037684 0.01732685 -0.01682183 +O 7.13706463 7.34036666 4.46692184 -0.00190488 0.00018463 -0.00634142 0.00175605 0.01106486 -0.04580591 0.00280534 0.00266009 -0.00467378 +C 8.82410101 7.43430735 6.12676003 -0.00333356 0.00165459 -0.00190125 -0.02149310 0.00183160 -0.00420301 -0.00110049 -0.00249205 -0.00128376 +H 9.52411188 6.76287112 5.70484602 0.00882414 -0.01392726 0.00076000 -0.02721483 -0.05833680 0.00248078 -0.02624127 0.00764903 0.00703005 +H 9.05371578 8.45505573 5.74651847 -0.00226607 -0.01265420 -0.00928761 0.06519037 -0.03585970 0.02772130 0.01994953 0.01143920 0.01052639 +H 8.87357287 7.32471623 7.23392677 -0.00545131 -0.00697632 0.01209914 -0.01537187 0.05692141 -0.05948150 0.00173740 0.01866183 -0.00241321 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04338705 5.88586378 5.83537797 -0.00775734 -0.00183733 -0.00181868 -0.05846542 -0.02261224 -0.00356638 -0.00939102 -0.00182244 -0.00083596 +C 2.38125582 6.01247757 5.90092003 -0.00540466 0.00297941 0.00840724 -0.05025353 0.02655167 0.03246559 -0.00785946 0.00397199 0.00071685 +H 0.50564730 6.48716785 5.36826373 0.02180243 0.00372598 0.01335536 0.12158313 0.14047607 -0.02533527 0.02534786 -0.00136298 0.00463932 +C 2.99524005 5.59479682 7.09814382 0.00405064 0.00748566 -0.00711181 0.01742138 0.03912728 -0.04030176 0.00048817 0.00273500 -0.00201964 +H 2.64319677 6.94495178 3.82536585 -0.03452019 0.00048009 0.00910551 -0.15181748 -0.15496158 0.20283059 -0.01867436 -0.02759153 0.00825683 +C 4.35653483 5.79039572 7.24645307 0.00271554 0.00225625 0.00109973 0.03270551 0.00668597 0.00388469 0.00776028 0.00003054 -0.00014141 +H 2.45596924 5.08159844 7.86383194 -0.00486348 -0.00668911 -0.01193063 -0.03257175 0.03698963 -0.07637031 0.00051707 0.01816742 -0.00832541 +C 5.11896955 6.34735401 6.20277248 0.00182379 -0.00381530 -0.00341344 0.04776622 -0.02521879 -0.00679248 0.00842153 -0.00243784 -0.00180087 +H 4.74563156 5.36967021 8.14718634 0.01858517 0.00219091 -0.00528121 0.17651738 0.09561153 -0.00571144 0.01641381 0.02332768 -0.00302302 +C 4.48174748 6.60623013 5.00002252 0.00307079 0.00192912 -0.00567376 0.00410083 0.02733840 -0.06134328 0.00024163 0.00480813 -0.00997288 +N 6.53586228 6.55574054 6.41143390 0.00362531 -0.00378762 -0.00171599 0.00205226 -0.02671682 -0.02086448 -0.00204304 -0.00260960 -0.00567341 +C 3.08063442 6.53119597 4.77964573 -0.00347200 -0.00760206 0.00555709 -0.00908427 -0.04459389 0.05963133 0.00109616 -0.00534850 0.01268259 +H 5.04087022 7.00788169 4.20678736 -0.00403037 -0.00579437 -0.01194329 0.01018176 -0.01710131 -0.14420464 -0.00687317 -0.00525399 -0.00914575 +C 7.34142575 7.40080134 5.73271185 0.00596017 -0.00527137 -0.00279798 0.01257284 -0.02569707 -0.03271276 -0.00296747 -0.00169014 -0.00622239 +H 6.97307750 6.05555890 7.21319619 -0.00442321 0.00712141 0.00285283 -0.02588367 0.03169207 -0.01817901 0.00747989 -0.00977806 0.01000339 +O 6.94368482 8.23582972 4.91933717 -0.00039892 0.00507184 -0.00197814 0.00159153 0.02544199 -0.00642586 0.00121056 0.00151624 0.00046316 +C 8.81138654 7.30384230 5.94351804 0.00016282 -0.00236846 0.00993622 0.00968044 -0.00624679 0.05777336 0.00271374 0.00167555 0.01040609 +H 9.01677458 6.91461671 6.89246659 -0.01822212 0.01082736 0.00191759 -0.01702402 -0.03660733 0.15580198 0.00720394 -0.01002288 0.00027957 +H 9.25948051 6.66965906 5.14855760 0.01169715 0.03848528 -0.00767073 0.09338357 0.19115249 0.01080963 0.02144512 0.00657630 0.00480526 +H 9.25696671 8.27586611 5.83261506 -0.01308009 0.00345584 0.02216935 -0.07362560 0.06355325 0.19869026 -0.01253103 0.00243959 0.03379103 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92512556 5.79926813 5.75247020 -0.00335027 0.00650995 0.00264375 -0.01991522 0.02685887 0.02292436 -0.00115708 0.00301129 0.00386961 +C 2.24931394 6.10590556 5.89655606 0.00292833 0.00357322 0.00360292 0.00029822 0.00481566 0.01192660 -0.00200293 -0.00115449 0.00002847 +H 0.66485634 4.89747937 5.74505970 0.00190919 -0.02117978 0.01240804 0.09749661 0.03320608 0.08148392 0.01420786 0.00061559 0.01129106 +C 2.53215484 7.43385791 5.90910356 0.00665023 -0.00325457 -0.00091947 0.07416361 0.01437896 -0.01241491 0.00895403 0.00880756 -0.00285156 +H 3.08068508 4.15818385 5.96039890 -0.00831420 -0.01352784 -0.01938552 -0.02771738 -0.04991520 -0.16520727 0.00740750 0.02584626 -0.02227219 +C 3.89366577 7.90583358 5.89431071 0.00068794 -0.00611569 -0.00622182 0.01849051 -0.03133666 -0.03987870 0.00734654 -0.00642550 -0.00450394 +H 1.71650993 8.07190068 5.84342424 0.03318783 0.00670331 -0.00286106 0.10949092 0.17944524 -0.01183604 0.02602663 0.00913142 0.00198905 +C 4.97145564 7.00270981 5.97029056 0.00275696 -0.00360814 -0.00052489 0.03387522 -0.04336398 -0.00208165 0.00292223 -0.00896181 -0.00008722 +H 4.12221219 8.99851748 5.81788744 0.01937349 0.00071863 -0.00721650 0.02286916 -0.11272288 -0.02085253 -0.00542287 0.00716278 -0.00220671 +C 4.67193611 5.65220648 6.01131436 0.00418775 -0.00926498 -0.00138548 -0.00697566 -0.08483054 -0.01198798 -0.00530943 -0.00906830 -0.00269175 +N 6.35014564 7.39444006 6.04725118 -0.00719795 0.00618268 0.00315166 -0.05260533 0.06682275 0.01954734 -0.00472667 0.01094068 0.00187103 +C 3.29239692 5.17201599 5.88132272 -0.00319989 -0.00056342 -0.00068245 0.01384069 -0.00716146 0.01296017 0.00407915 -0.00498132 0.00339011 +H 5.48167925 4.87585636 6.21861318 0.01561294 0.01233897 -0.01921370 0.03079671 0.05159672 -0.19999107 0.01503060 -0.03170723 -0.02883832 +C 7.56825095 6.84765874 5.90872156 -0.00092450 0.00076784 0.00152846 -0.03187987 -0.00257633 0.01061171 -0.00856657 0.00030984 0.00192339 +H 6.41435634 8.38283727 6.22450797 -0.01561363 0.00438171 -0.01268477 -0.07490128 0.08943120 -0.07874132 -0.00651562 0.01642246 -0.00831322 +O 7.72169035 5.66737043 5.70056183 -0.00158054 0.00246123 -0.00096363 -0.01144018 0.00181086 -0.00942578 -0.00193794 -0.00194616 -0.00167362 +C 8.81395880 7.68403845 5.98331565 -0.00118893 -0.00154879 0.00090690 -0.00520799 -0.01008728 0.01624063 -0.00180786 0.00187351 0.00110112 +H 9.25820875 7.68523635 5.02281484 -0.00571982 0.01741904 -0.00686490 -0.02533703 0.16067936 -0.03720170 -0.00960349 0.02139034 0.01978722 +H 8.57850678 8.67285549 6.33912209 -0.01663894 -0.01373490 0.01243977 -0.06684408 -0.02657100 0.08190180 -0.00161340 -0.00373965 0.00468777 +H 9.52602829 7.13264126 6.65471438 0.01271502 0.01706311 0.01695477 0.01170138 0.19968009 0.03882270 0.00837928 0.01949612 0.00700622 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94094674 5.76081292 5.78598654 -0.00014707 0.00106746 -0.00032285 0.02467365 0.01214710 0.00253373 0.00692705 -0.00016083 -0.00043120 +C 2.29438678 6.05982434 5.93284354 0.00084007 0.00460208 0.00057618 0.00402968 0.04992683 -0.00198253 0.00043969 0.00861745 -0.00135832 +H 0.84545309 4.99827614 5.27452753 0.03254316 0.00221852 0.02553085 0.12130318 -0.09759680 0.10209819 0.00110208 0.00990895 0.02559340 +C 2.67341702 7.28628473 6.56396524 -0.00003072 0.00035033 -0.00186194 -0.01984046 0.01568806 0.01608304 -0.00377196 0.00232917 0.00456445 +H 3.05467379 4.44289908 4.81342947 0.00373399 0.02747702 0.02273017 0.02420854 -0.09637782 -0.00264188 0.01185326 -0.00761331 0.00236705 +C 4.04890251 7.65988174 6.76470712 -0.00279430 -0.00914176 0.00409729 -0.02293425 -0.06167538 0.01186332 -0.00264876 -0.00835550 -0.00185307 +H 1.91096670 7.89007714 7.03669476 -0.04072925 0.03118641 0.00352630 -0.00724747 0.02389600 -0.14766958 0.01686844 -0.00441153 -0.02761686 +C 5.03984204 6.85579739 6.17091087 0.00290025 -0.00673545 -0.00768322 0.02561606 -0.02340256 -0.02098835 0.00250578 -0.00039341 0.00244482 +H 4.32915323 8.54201834 7.33856899 0.00086835 0.01943987 -0.01385909 -0.06228711 -0.00746220 -0.13203655 -0.01254250 -0.01164211 -0.01200604 +C 4.65766259 5.71386674 5.49281254 -0.00159590 -0.00128609 -0.00114054 0.01883925 -0.04505823 -0.03173503 0.00795793 -0.00997686 -0.00720388 +N 6.39574522 7.14087967 6.41810924 0.00190829 0.00140450 0.00629140 -0.00368434 0.00910240 0.04811569 -0.00242120 -0.00003407 0.00451223 +C 3.32758594 5.28851212 5.35959034 0.00486395 0.00116911 -0.00231613 0.00474911 0.03318602 0.00131792 -0.00470603 0.00351837 0.00026071 +H 5.39731992 5.09858450 5.09792059 0.02566230 -0.01625801 -0.01267733 0.02537154 -0.04502593 -0.05101802 -0.02434506 0.00462047 0.00104857 +C 7.48965792 6.94645382 5.70163887 0.00366930 0.00039808 0.00106871 -0.00889834 -0.01072222 -0.01401474 -0.00638096 -0.00097761 -0.00211161 +H 6.57772114 7.56397871 7.34390807 -0.01419830 -0.00078230 0.00709172 -0.07912132 0.05490040 0.00645060 -0.00168082 0.02415862 0.01177721 +O 7.47764082 6.31793074 4.62722772 -0.00675929 -0.00172256 0.00041133 -0.03727793 -0.00492698 0.00956878 -0.00374616 -0.00012538 0.00150646 +C 8.70351252 7.57053156 6.24101149 0.00287195 0.00644573 -0.00415577 0.01444115 0.04316417 -0.00846136 0.00267029 0.00370566 -0.00119245 +H 9.12260975 6.92733919 6.99573117 -0.04477192 -0.03182129 0.00811440 -0.21862719 -0.07725903 -0.00846635 -0.01100938 0.01809088 -0.01239197 +H 9.37013587 7.73027314 5.43297149 -0.00958406 -0.01381137 0.00534029 0.11386607 -0.07037142 -0.04389976 0.01816817 -0.01043985 0.01050185 +H 8.37052893 8.52790578 6.65037328 0.00178487 0.02325387 0.00139629 0.14310582 0.06102695 -0.01254490 0.03161924 0.00060765 -0.00219259 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02627529 5.74724091 5.88874282 -0.00127133 -0.00036231 -0.00203569 -0.01068940 -0.01910421 -0.00782083 -0.00015855 -0.00280340 -0.00222090 +C 2.31325656 6.12733768 5.80022417 0.00337963 0.00055768 -0.00479165 0.01699409 -0.00647765 -0.02075602 -0.00036401 -0.00148146 -0.00040677 +H 0.84405252 5.06089460 6.53732513 0.01779951 -0.00727148 0.02925654 0.15076211 0.07001703 0.03979081 0.01409835 -0.00505142 0.01497386 +C 2.55259020 7.45055441 6.13340479 0.00482440 -0.00123526 0.00435687 0.04236985 0.00378239 0.04015798 0.00779167 0.00040369 0.00486344 +H 3.26180231 4.18515229 5.35954637 0.01550355 -0.01998759 -0.00106502 -0.00424770 -0.04600132 0.02046805 -0.01741952 0.01321434 0.00810940 +C 3.90347283 7.86262842 6.17814196 0.00059128 0.00656957 0.00439928 0.01663830 0.04546542 0.00777730 0.00431353 0.00764114 -0.00084073 +H 1.75207913 8.10046093 6.50404177 -0.00915444 0.02072561 -0.00223882 0.06331530 0.03532510 -0.15637735 0.00989017 0.00050138 -0.02702067 +C 4.99515190 7.01407894 5.87569289 0.00168290 0.00178149 -0.00949593 -0.00197768 0.01781992 -0.04885801 -0.00389430 0.00338992 -0.00386826 +H 4.15947736 8.89003606 6.23017133 -0.01346465 -0.00126931 0.01636206 -0.11081613 0.08819451 0.25124180 -0.01386893 -0.00181541 0.04064264 +C 4.73581244 5.67019089 5.59374037 0.00328502 0.00073193 -0.00088178 -0.02267065 0.00543061 -0.00538437 -0.00712878 -0.00212621 -0.00195581 +N 6.30711662 7.50141634 5.94749365 -0.00962396 0.00170662 -0.00113350 -0.04367132 0.00295980 -0.01827682 0.00064660 -0.00097873 -0.00391017 +C 3.39950796 5.21882181 5.56712169 -0.00521568 -0.00480954 0.00368487 -0.02287333 -0.03007510 0.01920451 -0.00000280 -0.00378814 0.00154127 +H 5.50474002 4.97698679 5.42156835 -0.02168752 0.01805478 -0.00428548 0.01109990 -0.06507135 -0.09001563 -0.00501823 -0.00541631 -0.00986699 +C 7.45286829 6.85417436 5.94078015 0.00968030 -0.00422616 -0.00081144 0.03268463 -0.05817156 -0.00336439 -0.00449018 -0.00458056 -0.00039509 +H 6.48336506 8.48757846 5.85107879 -0.01907466 -0.01292443 0.00762774 -0.19181194 0.05621945 0.11139322 -0.02724822 0.00649925 0.02219283 +O 7.61742024 5.59987320 5.88168812 0.00057770 0.00158401 0.00277675 0.00111099 0.01924922 0.02064285 0.00029827 0.00081033 0.00293990 +C 8.68349601 7.61538610 6.04102319 -0.00166347 -0.00024530 -0.00453804 0.01094662 0.01611289 -0.00921784 0.00419221 0.00316392 0.00140373 +H 9.25236394 7.41775275 5.11535893 -0.01029257 -0.00201479 0.02276121 0.09305912 -0.01738116 0.04337187 0.03378685 -0.00033292 -0.00760839 +H 8.49507011 8.69894478 6.10764119 0.01092865 -0.01582765 0.01532820 0.03519736 0.00732092 0.06653943 -0.00227665 0.02053325 0.00251686 +H 9.26431500 7.35686633 6.93571804 -0.02319168 -0.01215755 0.01649477 -0.14694399 -0.09921235 0.00761326 -0.00812001 -0.01414420 -0.00508926 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99387417 5.74148083 5.55644495 0.00027478 0.00225393 -0.00202826 0.00999264 0.02631171 -0.00646860 0.00119963 0.00232203 -0.00097406 +C 2.29833595 6.10387869 5.86928783 -0.00137266 0.00355487 0.00368093 -0.03207246 0.02492537 0.03029390 -0.00295366 -0.00068882 0.00402296 +H 0.83370938 4.87935195 5.27877359 -0.00004840 0.02094266 -0.00382231 0.04213025 -0.00453932 -0.06913952 0.01874562 0.02183290 -0.00027594 +C 2.52298942 7.39962333 6.39312939 -0.00928829 -0.00595692 -0.00011709 -0.02133483 -0.00964196 -0.00153631 0.00783499 0.00144801 -0.00118870 +H 3.22185484 4.24927977 5.32548811 0.01904088 0.00776123 -0.03201783 0.05757085 0.04778949 -0.10278914 -0.00342502 -0.01214876 0.00009462 +C 3.90326138 7.80926551 6.44048293 0.00301189 0.00249714 -0.00295520 -0.00007893 0.01660372 -0.02029963 -0.00394186 0.00078585 -0.00212424 +H 1.69689142 8.14062715 6.65733344 -0.02583893 0.00966546 0.00571280 0.01086501 -0.14543004 -0.06213150 -0.01420025 -0.00767016 -0.00702661 +C 5.00459958 6.96539825 6.10466532 0.00070488 -0.00371701 -0.00132892 0.01466193 0.00206321 0.01350556 0.00265004 0.00375548 0.00452196 +H 4.15552409 8.84309966 6.67198847 0.01034714 -0.00020521 0.01519414 -0.01175217 -0.03304666 0.10981373 -0.01146140 -0.00105968 0.01237637 +C 4.74594901 5.60658854 5.88114807 0.00500781 0.00110890 -0.00194017 0.00498447 0.00007341 -0.01056096 -0.00222332 -0.00090685 -0.00052477 +N 6.31861410 7.49740065 6.21041716 -0.00014771 0.00000153 -0.00081599 0.01795046 -0.02829146 -0.01601962 0.00330623 -0.00559857 -0.00215275 +C 3.36696282 5.26429136 5.71275136 0.00429299 -0.00218677 0.00679987 0.04953652 -0.04395866 0.02127630 0.00509186 -0.00565166 -0.00034850 +H 5.50332308 4.85293044 5.80641332 0.01069869 -0.01755076 0.01129715 -0.00828654 -0.00619493 -0.00058252 -0.00981177 0.01542895 -0.01307478 +C 7.49035494 6.87923281 5.77756989 -0.00119376 0.01059200 0.00232179 -0.03162945 0.02680502 -0.00671969 -0.00464876 -0.00536023 -0.00589720 +H 6.52930703 8.38321317 6.65918204 0.02133674 -0.02368618 -0.00093955 -0.01020050 -0.03536855 0.03971661 -0.02333590 0.00448162 0.00580082 +O 7.55821133 5.77763254 5.17786011 -0.00012144 -0.00363368 -0.00016424 -0.00647453 0.00560093 0.01516831 -0.00198401 0.00566843 0.00459410 +C 8.77960562 7.60562866 6.00594111 -0.00095030 -0.00391105 -0.00144140 0.00080478 -0.01365090 -0.02403177 0.00125528 0.00051696 -0.00242040 +H 9.29976190 7.39140874 6.89103443 -0.03405534 -0.00824745 0.01231297 -0.20115467 -0.04458521 0.15221596 -0.02859816 0.00418018 -0.00829082 +H 9.42557205 7.23994623 5.21616371 -0.00561700 0.01679618 -0.01153057 0.03968324 0.05215940 -0.04281397 0.01458514 -0.00399571 0.00772063 +H 8.73625657 8.65730741 5.77659964 0.00122160 -0.00720433 -0.00988327 -0.04387481 0.01747262 0.03726670 -0.01250842 0.00262342 0.02230522 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03602190 5.71375687 5.72197174 -0.00131230 -0.00417015 -0.00120374 0.00180483 -0.03422694 0.00931933 0.00120806 -0.00512377 0.00309929 +C 2.38539266 5.94173868 5.95287008 -0.00218278 0.00365297 0.00649301 -0.03462154 0.04750744 0.00455223 -0.00688672 0.00880139 -0.00482816 +H 0.61858910 6.06297408 4.92071117 0.00152291 -0.01065385 0.01572901 0.03617118 -0.01425926 -0.00659256 0.00908270 0.00267480 -0.01063282 +C 2.93721244 5.72439124 7.23827889 -0.00000290 0.00029804 -0.00555207 -0.01759344 -0.01965435 -0.04645867 -0.00272112 -0.00457678 -0.00711698 +H 2.68135560 6.72349131 3.94663083 -0.01880690 0.01237514 -0.00457057 -0.04719526 0.05644210 0.03061691 0.01362258 -0.00341001 0.02478004 +C 4.29053104 5.94853111 7.30110876 -0.00124217 0.00187542 0.00146558 0.02599985 0.03409701 0.04113513 0.00692378 0.00700033 0.01022394 +H 2.41799088 5.26944172 8.05823038 -0.03878135 -0.02189853 0.00289276 -0.12498996 0.01326457 -0.15059107 0.00139536 0.01693371 -0.02995892 +C 5.08250408 6.54982515 6.28358257 0.00181653 0.00515228 0.00053635 0.00848825 0.00980482 0.00297666 0.00047938 -0.00215408 -0.00001258 +H 4.71967842 5.78495927 8.23481802 0.00860273 0.00921352 0.02175870 0.05300996 0.01083640 0.05915018 -0.00142279 -0.00279719 -0.01770828 +C 4.50978322 6.77383622 5.02645372 -0.00275290 -0.00329096 -0.00017111 -0.02389236 -0.01175404 0.00068688 -0.00233163 -0.00016290 -0.00052342 +N 6.45764363 6.65287859 6.45427357 -0.00010842 -0.00306368 -0.00449626 0.01468687 -0.02333324 -0.04573250 0.00179551 -0.00444630 -0.00686971 +C 3.13983436 6.53836123 4.86966286 0.00318964 -0.00003151 0.00191315 -0.01331617 -0.01861353 0.02772271 -0.00807222 -0.00368645 0.00380160 +H 5.03645904 7.18727328 4.21976716 0.00787091 -0.01444755 -0.00985029 -0.00355918 -0.12972994 -0.08446469 -0.01567323 -0.02338755 0.00289803 +C 7.37143537 7.24266370 5.62135932 -0.00497789 -0.00165405 0.00510352 -0.04919141 0.04186717 0.01969420 -0.00327473 0.01251332 0.00070190 +H 6.96412230 6.07191166 7.11541952 -0.00530622 -0.00749760 -0.02485623 -0.10003000 -0.08247536 -0.00661568 -0.01651559 -0.00868981 0.01417132 +O 7.05590879 8.01450975 4.67242737 0.00957525 0.00439959 -0.00106116 0.06787152 0.01093893 0.00847393 0.00824967 -0.00050763 0.00267579 +C 8.79282303 7.26390047 6.01923548 -0.00050395 -0.00044827 -0.00226963 0.02147833 -0.01346919 0.00457000 0.00218237 -0.00330828 0.00137281 +H 9.32014380 6.49548786 5.42654091 -0.00542743 -0.00037038 -0.01459322 -0.02598972 0.04011119 -0.04614177 0.00566811 -0.00033294 -0.00194748 +H 9.20702615 8.26942141 5.76114406 -0.01167316 0.00277980 -0.00956570 -0.04983941 -0.05042787 -0.05386213 0.00871178 0.00064867 -0.00555490 +H 9.05908404 7.11416695 7.08011800 0.01167059 0.00325150 0.03189148 -0.06275931 0.01856145 -0.04234635 -0.01667752 -0.00237493 -0.01537292 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.06693995 5.71547531 5.73028866 -0.00755705 -0.00281100 0.00449497 -0.05222952 -0.01125518 0.02067642 -0.00632457 -0.00062149 0.00437660 +C 2.34940623 6.04879785 5.96671749 -0.00448277 0.00510411 0.00034161 -0.04601960 0.03117247 0.02282238 -0.00725449 0.00331373 0.00395355 +H 0.92756012 5.82260553 4.78180163 0.02161851 0.01316930 -0.01932967 0.03899336 0.01832600 0.06484991 -0.01853653 -0.00222245 -0.01243830 +C 2.87380852 6.18761765 7.28561624 -0.00742297 -0.00392164 0.00527342 -0.03587995 -0.03527398 0.01353817 0.00230217 -0.00509315 -0.00413097 +H 2.68097682 6.26591660 3.83257479 0.00842208 -0.02245621 -0.01841675 0.11935931 -0.17945522 0.02501300 0.01563019 -0.02375029 0.00403750 +C 4.25944602 6.30525678 7.39474531 0.00064248 0.00363159 -0.00523133 0.00001974 0.02490504 -0.01116559 -0.00292692 0.00353901 0.00042234 +H 2.20258855 6.09910318 8.22502476 0.03390381 -0.01130886 0.01845215 0.19133022 -0.10919700 0.02458395 -0.01512410 -0.02274826 0.02597216 +C 5.09049754 6.49810983 6.26012191 -0.00203716 -0.00056190 -0.00470988 0.00366559 -0.00058817 -0.00964504 0.00396576 0.00103720 0.00061784 +H 4.66001425 6.21976644 8.40477220 -0.00498906 0.01220417 0.01757916 -0.01114315 0.15576470 -0.04667950 0.00993473 0.02675647 -0.01196022 +C 4.50335695 6.43667833 5.00982890 0.01075813 0.00273063 -0.00082874 0.03746803 0.02537340 -0.02561628 -0.00038472 0.00421109 -0.00622646 +N 6.45192132 6.68893403 6.45460297 0.00487119 0.00029215 -0.00830189 0.02078315 -0.00816591 -0.06765963 -0.00036572 -0.00489484 -0.00659452 +C 3.11531740 6.22936947 4.84112178 0.00499574 -0.00116724 0.00090449 0.05539228 -0.00366357 -0.00681233 0.00867983 -0.00056804 0.00082711 +H 5.12036019 6.64066717 4.12888172 -0.01515318 0.00788857 0.01394924 -0.00891800 0.01643055 -0.07001597 0.01456805 -0.00467143 -0.02775868 +C 7.38063962 7.24333849 5.59714796 -0.00155798 -0.00636520 -0.00348302 -0.00148580 -0.04409893 0.01051599 0.00308103 -0.00336767 0.00285441 +H 6.77264030 6.24529125 7.28012024 -0.02014187 -0.00851937 -0.01898176 0.01946709 -0.01183853 -0.02416948 0.01849931 0.01659166 -0.01081766 +O 7.14718974 7.76716356 4.54626092 -0.00046870 0.00081214 0.00477162 -0.01220785 0.01160262 0.01324982 -0.00266703 0.00196587 -0.00017235 +C 8.80284087 7.29981697 6.08321574 0.00151739 0.00440501 0.00640705 0.00703731 0.01269189 0.02910591 0.00174718 0.00262213 0.00074132 +H 9.02828657 6.52047048 6.86296257 -0.00888553 0.00145063 -0.00525137 -0.05084406 0.08147286 0.04167469 -0.00087253 0.00603915 0.03260078 +H 9.42068310 7.09790955 5.24551152 0.01169331 -0.01227573 0.00742979 0.09013507 -0.06522349 0.06497134 0.00036493 -0.00221233 0.02358165 +H 8.95537580 8.29794062 6.36887662 0.00447627 0.00157473 -0.01134384 0.10490125 0.07634728 0.05047894 0.01359114 -0.01495402 0.01289993 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02395969 5.62573107 5.82545216 0.00042961 0.00120303 -0.00324248 -0.00322622 0.01272368 -0.01867015 -0.00190622 0.00211561 -0.00433653 +C 2.31793035 6.06000062 5.94447750 -0.00443599 0.00013063 0.00038369 -0.00192355 -0.00703588 0.02022017 0.00359176 -0.00250663 0.00540612 +H 0.57083552 5.51690355 5.04125485 0.01598413 -0.00684957 -0.00683402 0.17755969 0.01625995 -0.13621517 0.04388818 0.01336011 0.00457139 +C 3.02594374 5.56397454 7.05675030 0.00981391 0.00072983 -0.00255697 0.04773715 -0.00543462 -0.01643481 0.00236962 -0.00283879 -0.00081299 +H 2.53895791 7.32107331 4.21636256 -0.02132480 -0.00428475 -0.01400297 -0.08750811 -0.08967440 0.00075872 -0.00195762 -0.02037957 0.01421232 +C 4.40847124 5.79473945 7.18768588 0.00318259 0.00061552 0.00125844 0.03070108 0.01119927 0.00367454 0.00586573 0.00058783 0.00244152 +H 2.51613906 4.93377998 7.73249423 -0.00176307 0.00208478 0.00595775 0.04484715 0.02588285 0.04236469 0.02026835 0.01031709 -0.00324367 +C 5.09376546 6.56825150 6.23201352 -0.00306814 0.00374753 0.00438704 -0.02268690 0.01357092 0.00176998 -0.00120757 0.00128672 -0.00443761 +H 5.03944863 5.38750540 7.91143879 0.00343533 -0.00085935 -0.00217459 -0.06221837 -0.06272986 0.12087470 -0.03028018 0.00148234 0.00735694 +C 4.41320648 7.04065511 5.09314371 -0.00975915 0.00430310 -0.00165613 -0.06001820 0.04589648 0.01847347 -0.00774635 0.00732852 0.00777949 +N 6.44694256 6.67336182 6.38686344 -0.00280067 0.00066909 -0.00032816 0.01387838 0.02358029 -0.00456547 0.00565945 0.00478522 0.00137340 +C 3.03435158 6.87800041 5.03209209 0.00037994 -0.00538132 0.00515096 -0.04485981 -0.03928353 0.00036359 -0.01272031 -0.00513117 -0.00522694 +H 4.88523661 7.72122822 4.35633032 -0.02925572 0.01155445 0.00492834 -0.13858477 0.01471815 -0.00891707 0.00184382 0.00348577 -0.01612804 +C 7.41124032 7.18355441 5.56485020 0.00628335 0.00350607 0.00118630 0.00859365 0.00618197 0.04915102 -0.00426905 -0.00025399 0.00721046 +H 6.76445407 6.57218327 7.31382525 0.02525903 -0.01326189 -0.01296038 0.11469276 -0.15849633 -0.04861647 -0.00568412 -0.02537561 -0.01812914 +O 7.19437400 7.50596631 4.43633038 0.00486158 -0.00287893 -0.00223782 0.04499352 -0.01601553 -0.03049804 0.00796087 -0.00227055 -0.00406261 +C 8.70471275 7.52640170 6.34024232 -0.00345847 -0.00367649 0.00263625 -0.01652128 -0.01330248 -0.00068265 -0.00207467 0.00035763 -0.00192326 +H 9.40018445 6.74595841 6.68352574 0.00134072 -0.02407401 0.01346657 -0.13374231 -0.06921672 -0.03101161 -0.02495146 -0.00452269 -0.01813488 +H 9.22488044 8.25551134 5.71847785 -0.02586222 0.01133406 -0.01011369 -0.05870540 -0.04083299 -0.04553252 0.01541146 -0.01960669 -0.00321156 +H 8.41871359 8.17427272 7.17925919 -0.00022421 -0.00570447 -0.01528873 -0.00936602 -0.05184102 0.03816323 -0.00035629 -0.00885624 0.02257171 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.05107973 5.73228810 6.04338519 0.00032689 0.00323092 -0.00025249 -0.01317847 0.01077004 -0.00285553 -0.00542718 -0.00230977 -0.00089491 +C 2.33080490 6.12183508 5.91876862 -0.00627845 -0.00560564 -0.00165791 -0.04337369 -0.02830665 -0.00598167 -0.00439142 -0.00100171 0.00041458 +H 0.96463150 4.86890416 5.76742467 0.00296873 -0.00067020 0.01463352 -0.03548697 -0.03933528 0.09207823 -0.00957949 0.01756664 0.01882147 +C 2.62046266 7.40352324 6.32528787 0.00074522 -0.00632596 0.00228232 0.00353576 -0.03607150 0.00444390 0.00035257 -0.00450376 -0.00108362 +H 3.11364038 4.23285487 5.21825672 0.00229831 -0.00527183 0.01133679 -0.04170950 -0.01868058 -0.00158394 -0.01211484 0.00718068 -0.00938721 +C 3.93770089 7.81117948 6.22993312 -0.00644331 -0.00318488 -0.00125851 -0.01167408 -0.01547496 0.00477915 0.00302409 -0.00217758 0.00143989 +H 1.84303435 8.10969554 6.65233919 0.02240546 0.00400088 -0.00468958 0.07302490 0.00023968 0.01872036 -0.01160985 -0.00002442 0.01085605 +C 4.98076957 6.92617495 5.85166002 0.00205314 -0.00345891 0.00076291 0.02410856 0.02764528 0.00416419 0.00353111 0.01003499 -0.00011167 +H 4.19535839 8.80537800 6.63902118 -0.02245032 0.00668926 -0.01574668 -0.14403514 0.02235255 -0.16562132 -0.00882044 0.01562849 -0.01973165 +C 4.66703954 5.65377382 5.38817620 -0.00101551 0.00506521 -0.00692731 -0.02684033 0.03028386 -0.03952602 -0.00502684 0.00369424 -0.00367401 +N 6.27055526 7.50777035 5.91654480 0.01070667 -0.00444894 -0.00247758 0.04716505 -0.01460912 -0.01303805 0.00414062 -0.00130767 -0.00062589 +C 3.32443211 5.25502878 5.43233313 -0.00895497 0.00213311 0.00209056 -0.04222926 -0.00669198 0.01423058 -0.00198668 -0.00512286 0.00098326 +H 5.39340951 4.93833424 5.03420721 0.00344818 0.03465169 0.00857650 0.09737480 0.10994464 -0.00414406 0.00305567 -0.00093926 -0.00934768 +C 7.43060191 6.88235862 5.96035879 0.00513481 0.00715521 0.00742789 0.07395358 0.00627928 0.02126589 0.01234733 -0.00623209 -0.00189285 +H 6.27343106 8.53334746 5.88318626 0.03090194 0.01243830 0.00802329 0.19181240 -0.08027046 0.12908251 0.01551353 -0.00210875 0.02665832 +O 7.60038044 5.70981916 5.62342915 -0.00216971 0.00006800 0.00029454 -0.01878053 0.00639144 0.01378185 -0.00221334 0.00162959 0.00375497 +C 8.75204043 7.64634170 6.20841267 0.00187571 -0.00110973 0.00545408 0.02105454 0.00570175 -0.00387091 0.00360567 0.00379891 -0.00213296 +H 8.77217819 8.22476906 7.10148524 -0.00603786 0.00581077 -0.03821139 -0.07453564 0.19588570 -0.04124623 -0.00945030 0.02066182 -0.00274184 +H 9.61846236 6.99209472 6.28976474 0.00397226 0.00785390 -0.01458862 0.00114310 -0.03999466 -0.00722117 -0.00246665 -0.00926367 0.01290930 +H 9.10933022 8.22250469 5.33768060 -0.00352190 0.00748786 -0.03297263 -0.19827906 -0.02130637 -0.00641689 -0.03729868 -0.00174339 0.00744317 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00943760 5.69290665 5.67104629 0.00097623 0.00318242 0.00155606 0.00862386 0.04184249 0.01670686 0.00117050 0.00557165 0.00294981 +C 2.27982273 6.17628660 5.88307362 0.00070299 -0.00147919 0.00237266 0.01218556 -0.01833701 0.02051146 0.00313845 -0.00267049 0.00309880 +H 0.98532555 4.77089807 5.55038281 0.00382536 0.02262352 0.01020438 0.00154698 -0.00169400 0.04568986 -0.00370887 0.02003923 0.00725179 +C 2.56516104 7.56161569 6.08955145 0.00057144 0.00774921 -0.00306426 -0.00591724 0.01129913 -0.01491984 -0.00234694 -0.00577291 -0.00062825 +H 3.05463696 4.16607421 5.76962442 -0.00067718 -0.00307684 -0.00572040 -0.00199831 -0.10393420 -0.03729780 0.00510181 0.00022540 -0.00054326 +C 3.92634405 7.90422905 6.27039018 -0.00473505 0.00646776 0.00157893 -0.01893208 0.03179605 -0.01881977 0.00058891 0.00060645 -0.00672217 +H 1.77002325 8.28755973 6.10829317 -0.02618666 -0.00230061 0.02258025 -0.03932159 -0.05105802 0.11316018 0.01434283 -0.00825968 0.00553746 +C 4.96562019 6.91312689 6.03386777 -0.00188629 -0.00275812 -0.00135582 0.00449146 0.01603599 -0.00216510 0.00193421 0.00627045 0.00002185 +H 4.07279483 8.98561349 6.32355493 -0.01564861 0.01847001 -0.00146026 0.02427368 -0.01100672 0.08307016 0.02071682 -0.00761646 0.02307144 +C 4.65482066 5.57901954 5.81574444 0.00444835 -0.00622719 -0.00439349 -0.00149260 -0.03872106 -0.01439847 -0.00249722 -0.00461615 0.00068686 +N 6.31289926 7.33588250 6.10276447 0.00630071 -0.00021412 -0.00661783 0.00696956 0.03225618 -0.02392504 -0.00473145 0.00745695 -0.00018207 +C 3.30762708 5.18532471 5.88809615 0.00002087 -0.01188009 0.00025470 -0.00386258 -0.05018737 -0.01586377 -0.00151464 -0.00398958 -0.00502356 +H 5.40836158 4.83976973 5.64597161 -0.01499880 0.00967971 0.01392857 0.05878836 -0.07778423 0.06779552 0.00873521 -0.01093833 0.00536148 +C 7.53632329 6.86992709 5.87913738 -0.00191999 0.00211524 0.00136877 -0.01553666 -0.04050059 -0.02977442 -0.00071177 -0.00910382 -0.00853289 +H 6.33905557 8.30090059 6.43053742 -0.01227819 -0.01645410 0.02315040 0.00001754 -0.05525762 0.14490913 0.01516102 0.00971094 0.01738957 +O 7.66139265 5.73921745 5.36078915 0.00063580 -0.00368273 -0.00052466 0.00888558 -0.01231562 0.00689854 0.00176472 -0.00116990 0.00182457 +C 8.74677831 7.71636628 6.07378034 0.00031370 0.00454979 0.00497705 0.01945333 0.03469503 0.01028159 0.00019587 0.00265422 0.00267895 +H 9.13029440 8.13424619 5.08350944 0.01914834 0.00711620 -0.01423276 -0.06377789 0.08007211 0.13451010 -0.01559526 0.03548927 0.00785997 +H 8.71637859 8.45826215 6.86464658 -0.02112069 -0.01640466 0.00949682 -0.15737755 -0.03058499 0.07595023 -0.01659178 0.00208690 0.00128490 +H 9.64332266 7.08053776 6.26585640 -0.01560560 0.00869101 -0.00307287 -0.08239316 -0.02313874 0.10629047 0.00545247 -0.01616207 0.03136647 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98818159 5.69525441 5.74484342 -0.00185642 -0.00576011 -0.00311312 -0.00279065 -0.03519500 -0.01709580 0.00252466 -0.00520069 0.00009266 +C 2.32793590 5.94680479 5.93320423 -0.00124283 0.00638828 -0.00309755 0.00157527 0.02562212 0.00953494 -0.00025191 0.00096434 0.00454216 +H 0.61904203 6.17242188 4.97399636 -0.00639039 -0.00169684 -0.00630559 -0.02227683 -0.06953079 0.01662724 -0.01335632 0.00047074 -0.01867161 +C 3.09169206 5.58936422 7.10920098 -0.00010579 -0.00068228 -0.00228555 -0.04782932 0.00767826 -0.01914520 -0.00811063 0.00317056 -0.00204016 +H 2.49371381 6.95060015 4.09083074 0.02122443 0.01355033 0.01767398 0.08180370 0.05851155 -0.03245243 0.00734910 -0.00482143 -0.00963446 +C 4.40575901 5.96533802 7.26040952 -0.00033302 0.00200663 0.00412582 -0.00084996 0.01556852 0.00001040 -0.00060083 0.00265002 -0.00371599 +H 2.50759261 5.19587064 7.95656135 0.02741142 -0.00568390 0.01877683 0.19649375 -0.09750869 0.01627538 0.00647123 -0.02598157 -0.00627955 +C 5.10456632 6.56078664 6.18060969 0.00505147 0.01153042 -0.00216991 0.03244015 0.05215187 0.04378575 0.00044402 0.00264452 0.01220493 +H 4.81009991 5.65160526 8.22676764 -0.01286227 0.00704271 -0.01553762 0.08714230 0.07033803 -0.00484700 0.02784774 0.01048302 0.00806899 +C 4.41520682 6.90387742 5.03208686 0.00219536 -0.00117374 -0.00540942 0.00416821 -0.02167805 -0.03639912 0.00285809 -0.00433344 -0.00272780 +N 6.48034336 6.71233915 6.45238631 -0.00167280 -0.00549309 0.00876525 -0.00436007 -0.02432832 0.04801367 0.00384251 -0.00120461 0.00506633 +C 3.02919190 6.60196744 4.93886135 0.00447191 0.00091100 0.00725741 0.03757829 0.02897180 0.02575559 0.00351893 0.00749397 -0.00201833 +H 4.89255409 7.28737299 4.14360697 -0.00387757 -0.02263462 0.00260701 0.00963438 -0.02998533 -0.06549953 0.00087917 0.00890556 -0.01252084 +C 7.37702048 7.32350649 5.70967035 0.00284626 -0.00306317 0.00125842 -0.01021857 -0.03007437 -0.00911452 -0.00693804 -0.00520988 -0.00359519 +H 6.78263641 6.37953931 7.33791572 0.03038034 -0.00960367 -0.01352978 0.15803654 -0.11952385 -0.02673964 -0.00374046 -0.01614729 -0.00953045 +O 7.07021369 7.80238140 4.63199015 -0.00268862 0.00008162 0.00173058 -0.00891913 0.00962229 0.00787246 0.00000097 0.00252550 0.00057428 +C 8.81148141 7.28473409 6.12284314 -0.00641209 -0.00022498 -0.00754525 -0.03370706 0.00424278 -0.03616805 0.00048726 0.00221248 -0.00226439 +H 9.15342218 6.35647359 6.52967185 -0.01967281 0.00455641 -0.01643332 -0.10968800 -0.11556034 -0.13946502 -0.01474417 -0.01209368 -0.02298467 +H 9.31642011 7.56576375 5.24280185 -0.01017575 -0.00555199 0.00461094 0.11168944 -0.02490377 -0.05709365 0.01455501 -0.00767633 0.00820921 +H 9.02920103 7.95264209 6.87161600 -0.00776321 -0.00050093 0.00200989 -0.06569794 0.08927697 0.03144558 -0.01635097 -0.00824122 -0.02223361 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92367444 5.69017427 5.78098114 0.00012080 0.00039637 -0.00096962 0.00943363 0.01145727 -0.00154970 0.00238657 0.00337835 0.00117460 +C 2.25817082 5.99889645 5.75539546 -0.00010586 0.01119292 -0.00532689 0.02027659 0.04933075 -0.03700833 0.00523370 0.00273798 -0.00358232 +H 0.55438534 6.04931655 6.53379735 0.00005447 -0.01512905 0.01248268 -0.03536469 -0.11930876 0.04979435 0.00142679 -0.02485287 -0.01509695 +C 3.09612829 5.40560809 4.77624710 0.00100333 -0.00123868 -0.00285215 0.02131819 0.00464222 -0.01558574 0.00272070 0.00042130 -0.00352915 +H 2.39980521 7.21904751 7.55552196 -0.03450222 0.03136603 -0.01023941 -0.14884854 0.06529499 -0.10939573 -0.00046221 -0.01364924 -0.01307732 +C 4.50290523 5.68480221 4.74726069 0.00566167 -0.00801173 0.00304526 0.00425857 -0.06858414 0.00335003 -0.00424042 -0.01108756 -0.00297443 +H 2.73791921 4.78210032 4.03243600 0.00840134 -0.01177984 -0.00674488 -0.03496443 -0.04279866 -0.04279631 -0.00410047 0.02102818 0.01900099 +C 5.17047503 6.42423886 5.74132222 -0.00385511 -0.00095908 -0.00679094 -0.03852006 0.00199145 -0.06442566 -0.00574331 0.00222876 -0.00829739 +H 5.01254182 5.31170383 3.86584498 -0.01863018 -0.00082582 -0.00847600 -0.00370520 -0.07217581 0.00419786 0.01886625 -0.02170295 0.00967295 +C 4.29384615 7.04385730 6.67448691 0.00407886 -0.00137246 0.00064972 0.03754668 -0.02652422 0.03386796 0.00428713 -0.00620089 0.00827148 +N 6.54750179 6.57587281 5.49547851 -0.00557417 -0.00032179 0.00645733 -0.02933783 -0.00889543 0.05508004 -0.00350864 -0.00272785 0.00721854 +C 2.92037063 6.74579541 6.75232406 0.00066611 -0.00502906 0.00958813 -0.01099117 -0.00575972 0.05392519 -0.00264848 0.00339966 0.00347589 +H 4.67947609 7.57877651 7.51547949 0.00735763 -0.00068250 0.01176501 0.07959505 0.05004519 -0.03242523 0.01297969 0.01037084 -0.02083478 +C 7.43657437 7.30620627 6.21491478 -0.00694145 -0.00070247 0.00194543 -0.05583655 0.02590933 -0.00060027 -0.00469689 0.00696270 -0.00300380 +H 6.93233309 6.02288333 4.77322172 0.00003333 0.00317346 -0.01050330 -0.02545355 0.06491713 -0.00067819 -0.00742461 0.01575955 0.01553268 +O 7.01695246 8.15119037 7.03030439 0.00318781 0.00133301 -0.00173960 0.02888340 0.00312647 -0.00715249 0.00407330 0.00067080 0.00064331 +C 8.90416223 7.32288625 5.81671896 0.00293191 0.00329527 -0.00178362 0.01685822 0.00835515 -0.00853022 -0.00180179 0.00024826 -0.00107979 +H 9.50750919 7.69670571 6.69590550 -0.00524589 -0.02664579 -0.00710249 -0.00844578 -0.11489122 -0.00542388 0.01462471 -0.00273927 0.02295464 +H 9.31247582 6.27985816 5.67228044 0.00383145 0.01988833 -0.01967924 -0.02936970 0.08661176 -0.17500381 -0.00410560 -0.01810877 -0.03303127 +H 9.15505014 7.92266265 4.92686103 0.02265955 0.01132348 0.00994021 0.06670375 0.10121477 0.10160046 -0.00348943 0.02290109 0.01344754 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99952540 5.76369468 5.86547724 -0.00307240 -0.00093636 0.00326681 -0.02307543 -0.00759027 0.01890889 -0.00211429 0.00038822 0.00226654 +C 2.32063461 6.08025364 5.85288945 -0.00111952 -0.00299500 -0.00370497 0.00619897 0.00674753 -0.01735173 -0.00003451 0.00387907 -0.00103516 +H 0.70594799 4.83274056 5.77529090 -0.00944666 0.00879370 -0.01580538 0.02018020 0.02847579 -0.14190398 0.00761597 -0.01872647 -0.02669183 +C 2.64457868 7.40331104 6.27130905 0.00687168 0.00498706 -0.00240486 0.04063056 -0.00306040 -0.02326642 0.00175924 -0.00242937 -0.00225900 +H 3.09897535 4.18207205 5.18183429 -0.01596848 -0.03456556 -0.02709373 0.02721097 0.04857249 -0.09561996 0.00494891 0.00614998 -0.01000787 +C 3.96949645 7.79122998 6.49505998 -0.00285332 0.00513027 0.00237664 0.00806398 0.01854972 0.01591300 0.00681671 -0.00137417 0.00123444 +H 1.81710473 8.06550893 6.42297413 0.04733551 -0.01760108 0.00719868 0.08203438 0.10151470 0.15454061 -0.00105200 0.01618155 0.02101463 +C 5.00825984 6.88545120 6.18425633 0.00120626 0.00381812 0.00139449 -0.00932209 0.00658949 -0.00958003 -0.00304527 -0.00224434 -0.00393260 +H 4.16410125 8.77118144 6.94759698 0.02866329 -0.01400462 0.00549705 0.14119141 -0.01898648 -0.00754606 0.00366293 0.01514058 -0.00309831 +C 4.68404709 5.59120743 5.65913770 -0.00335360 -0.00534624 -0.00319027 -0.00093466 -0.02085474 -0.01974756 0.00087624 -0.00204044 -0.00313558 +N 6.30590589 7.31505213 6.33266510 -0.00096159 0.00313246 0.00084512 0.01083627 0.01792324 0.01294708 0.00652973 0.00169035 0.00238784 +C 3.38797095 5.20155351 5.49364418 -0.00489567 -0.00507664 0.00184470 -0.08094195 -0.06055460 0.00992159 -0.01173087 -0.00712496 0.00166412 +H 5.39833666 4.87988769 5.38956604 -0.00298945 -0.01956985 -0.02739498 0.01050171 -0.02930115 -0.11695929 -0.00686328 0.02576681 0.00261405 +C 7.41280178 6.91243985 5.75103942 0.00778546 -0.00485924 0.00187127 0.08270728 -0.00777401 0.02475594 0.01001450 0.00200858 0.00465869 +H 6.44182977 8.04016621 7.02330983 0.02416815 -0.00832035 -0.01500902 0.10810783 0.04648344 -0.01777957 -0.00348498 0.01343819 0.00423719 +O 7.49408615 6.14815948 4.81525419 -0.00371812 0.00089261 -0.00063761 -0.02684330 -0.00436116 -0.01115749 -0.00291429 -0.00158958 -0.00184198 +C 8.79655870 7.52574024 6.26426350 0.00007010 0.00642833 0.00422508 -0.01148636 0.03310957 0.02867914 -0.00249459 0.00075719 0.00054004 +H 8.79418483 8.60422941 6.68204494 -0.00976553 0.00790054 -0.02662455 -0.16316782 -0.00081814 -0.23439385 -0.03291114 0.02940379 -0.02027281 +H 9.23602421 6.95072689 7.10768082 0.00971220 0.00591022 0.01277339 -0.01981045 0.06925171 -0.00828949 -0.00662628 0.00937359 0.00712579 +H 9.50658887 7.50382697 5.44426208 0.00520809 0.00375944 0.00424246 0.01943652 0.02011475 0.05390837 -0.00196809 0.00095004 0.01214889 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00373422 5.68400272 5.78625644 -0.00541013 -0.00088221 0.00345385 -0.03848340 -0.00506548 0.01383474 -0.00435241 -0.00043586 0.00195459 +C 2.30440801 5.99837018 5.93237749 -0.00554860 -0.00721438 -0.00564338 0.01117822 -0.05071179 -0.01661813 0.00787918 -0.00609672 -0.00015450 +H 0.81804805 5.65419085 4.82556228 0.00100771 0.02068280 0.00763967 -0.09360739 0.14859526 0.05187833 -0.03114846 0.02164695 -0.01167625 +C 2.94527877 5.65193171 7.14704969 0.00433681 -0.00409951 0.00504521 0.04947641 0.01009009 -0.00042859 0.00781133 0.00563029 -0.00444412 +H 2.66072001 6.79724368 4.01938315 0.01590807 0.02897236 -0.00988723 0.04848651 0.17617514 -0.13936375 0.00677917 0.00445746 0.01081941 +C 4.32651438 6.02114876 7.31692049 0.00741211 -0.00164130 0.00203261 0.03868007 -0.02438280 0.02933176 0.00450085 -0.00349647 0.00402674 +H 2.34767004 5.25908195 7.99400808 0.01779852 0.02650666 -0.03281343 0.00803981 0.01850676 0.00343887 -0.00688281 -0.01737461 0.02559455 +C 5.10236211 6.53398472 6.27608989 0.00104832 0.00740836 0.00107708 -0.00535957 0.05732596 -0.00719782 -0.00206150 0.00708592 -0.00080996 +H 4.79061161 5.85842846 8.26902642 0.02316023 0.00828912 0.01180161 0.08432584 0.00761763 0.00693180 -0.00092169 -0.00818711 -0.00628388 +C 4.43348917 6.91384563 5.07891352 -0.00284591 -0.00298394 -0.00230070 0.01004936 -0.04213068 -0.01248298 0.00372928 -0.00820605 -0.00331583 +N 6.47018637 6.71449027 6.44148132 -0.00227109 0.00181199 -0.00186923 0.00005545 0.03005006 0.00906287 0.00096322 0.00656813 0.00305949 +C 3.10903382 6.58347006 4.91758968 0.00188711 0.00572481 -0.00727428 -0.03648132 0.03330070 -0.04539576 -0.01145759 0.00413375 -0.00718447 +H 4.97539052 7.24628729 4.24022825 0.02064565 -0.02542779 -0.01375874 -0.02917245 -0.09964661 -0.07241143 -0.02565935 -0.00292779 0.00125165 +C 7.37734844 7.28110542 5.61519183 0.00110173 0.00021231 0.00349641 0.02024148 -0.00630389 0.01645527 0.00334658 -0.00095225 -0.00047079 +H 6.85138962 6.66570798 7.37243776 -0.00691989 0.00783048 0.02388685 -0.12044461 -0.05788911 0.00688707 -0.01304421 -0.02299662 -0.00327905 +O 7.11671477 7.69866252 4.50367732 -0.00603125 -0.00024438 -0.00146942 -0.02762439 0.00127252 -0.00818994 -0.00121528 0.00021952 0.00026715 +C 8.85845402 7.33539589 6.10972802 0.00319610 0.00004400 0.00438608 -0.00104221 -0.01425953 0.03089567 -0.00234165 -0.00122133 0.00310019 +H 9.31442749 8.25894048 5.80051233 0.01960315 -0.02562630 0.01423900 0.19681970 -0.09076752 -0.01944936 0.01651712 -0.01560753 -0.01099244 +H 8.81065372 7.44197740 7.21924236 -0.00513858 -0.00172505 -0.01778124 0.00158041 -0.03270201 0.01243533 0.00588423 -0.00592416 0.03066278 +H 9.46013950 6.42225393 5.89190031 0.00093200 -0.01641937 0.00139151 -0.08113184 0.01447926 -0.00105056 -0.01245464 -0.00371148 -0.00362209 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99023716 5.78995996 5.70100309 -0.00001941 -0.00385229 0.00271422 0.00861758 -0.03648288 0.02854993 0.00347978 -0.00526556 0.00311199 +C 2.31581252 6.13286564 5.82830881 0.00489133 -0.00394716 0.00348658 0.00550057 -0.04303163 0.02627230 -0.00502418 -0.00421107 0.00319740 +H 0.64289904 5.29338335 6.46262422 -0.01149868 0.00743556 0.02503418 -0.01298959 0.10933435 0.04397750 -0.00985629 0.00298408 0.02589465 +C 2.56243000 7.46849811 5.98518211 0.00442556 -0.00035861 -0.00526440 0.03370169 -0.00006871 -0.03601851 0.00231498 -0.00120585 -0.00423727 +H 3.21731503 4.09654241 5.86456345 0.00129671 0.01630162 -0.00454496 -0.07703466 -0.00399006 -0.01461730 -0.02370645 -0.01321740 -0.00306591 +C 3.90181390 7.84704931 6.06206392 -0.00722453 0.00692525 0.00136379 -0.01326282 0.05422095 -0.00231407 0.00598972 0.00647651 -0.00254891 +H 1.81976099 8.24102903 5.97752741 -0.00078253 -0.00569836 0.01278830 -0.05380588 -0.07581133 0.06898000 -0.00425461 -0.01744855 0.00204348 +C 4.99068851 6.94050605 5.93098052 0.00706198 -0.00208017 0.00027547 0.02644040 0.03696412 0.02630565 -0.00227765 0.01129190 0.00711761 +H 4.01696756 8.92819267 6.17619093 -0.02017307 0.01176950 -0.00773777 -0.01913519 0.03524118 -0.05735937 0.01426881 0.01065092 -0.00506792 +C 4.72735331 5.59715334 6.00238577 0.00455722 0.00288088 0.00087801 -0.00359151 -0.00753057 -0.00211382 -0.00776530 -0.00229432 -0.00210138 +N 6.27874115 7.45640140 6.06885763 0.00096146 0.00054717 0.00080794 0.02218240 -0.00111153 0.00877437 0.00642400 -0.00044204 0.00171052 +C 3.40260387 5.17032972 5.94177346 -0.01181932 -0.00106563 -0.01032519 -0.06740544 0.00392645 -0.07639262 -0.00208514 -0.00013399 -0.01010408 +H 5.50142549 4.80445762 6.09517153 -0.00376387 0.01848934 0.00637362 0.05155800 0.08694581 0.00998718 0.02104002 -0.00889463 -0.00236821 +C 7.45991551 6.85539905 5.83901831 0.00119457 0.00539767 -0.00230262 0.01568710 0.00494575 -0.02298738 0.00244382 -0.00343268 -0.00380611 +H 6.36411500 8.36255802 6.50530876 0.03374476 -0.00857361 0.01143311 0.11942066 -0.03154055 0.03054563 -0.00499502 0.00253297 -0.00179180 +O 7.69357554 5.74542340 5.32277897 -0.00203051 -0.00297966 0.00211497 -0.03056006 -0.00829590 0.01920448 -0.00624461 0.00032474 0.00303180 +C 8.68420939 7.59987999 6.23317644 -0.00349022 0.00069418 0.00200980 0.00418679 0.01428456 0.00289695 0.00370209 0.00213184 -0.00135069 +H 9.53635306 6.98053568 6.57199364 -0.00529328 -0.00284770 -0.00273463 -0.09818854 -0.07616928 -0.02786936 -0.01136961 -0.02277402 0.00340046 +H 8.99860119 8.11336330 5.30296886 0.01511268 -0.01379332 0.00735251 0.12931310 -0.05418298 0.05440847 0.02283862 0.00657255 -0.00301961 +H 8.57371695 8.39286582 7.01561826 0.01533960 -0.02289422 -0.01813089 -0.01408800 -0.02281005 0.01716467 -0.01715712 0.02141662 0.02752580 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94287778 5.76803892 5.98611929 -0.00208706 -0.00137826 -0.00046281 0.00455657 -0.00831122 -0.00422348 0.00329317 -0.00078081 -0.00078619 +C 2.27724161 6.10691688 5.93307593 0.00555057 -0.00199829 -0.00207431 0.02151078 -0.00486784 -0.01062900 -0.00167869 0.00220166 0.00086698 +H 0.81524955 4.87144355 5.63017007 -0.02465117 0.01552155 0.00827922 -0.19387003 0.02836616 0.02516128 -0.02165019 -0.00721296 -0.00214642 +C 2.64894684 7.36478689 6.41126709 -0.00383697 0.00495396 0.00789603 -0.05461832 0.02118979 0.04802241 -0.00974454 0.00227936 0.00483089 +H 3.08808016 4.20026019 4.98398745 -0.00114582 0.00479313 -0.00340875 -0.03716820 0.19318479 0.00199444 -0.01981669 -0.01135458 -0.01659842 +C 3.94433479 7.76128606 6.39414511 -0.00128906 -0.00829539 -0.00469137 0.03737842 -0.02786158 -0.01619356 0.00541033 0.00007589 0.00138229 +H 1.94065993 7.95857658 6.82916847 -0.02589700 0.03245000 -0.00640174 -0.10214715 0.15070824 -0.04619775 0.02342372 -0.01836426 -0.01573691 +C 5.00513656 6.95469278 5.87546838 -0.00111504 -0.00082941 0.00020777 -0.00742084 -0.01354553 -0.01719868 0.00147179 -0.00341740 -0.00574058 +H 4.30333747 8.70350658 6.80758212 -0.01193649 0.00029798 0.01495346 -0.17773973 -0.04177709 0.05210481 -0.01842662 0.00176893 0.00160605 +C 4.64548457 5.72612633 5.26827737 0.00148621 -0.00069221 -0.00772105 0.01080561 -0.00333480 -0.03587319 0.00054517 0.00139587 -0.00142727 +N 6.31839923 7.45116724 5.90657049 0.00096814 -0.00069090 -0.00581251 0.00205640 -0.00552644 -0.03051030 -0.00033418 -0.00200149 -0.00268769 +C 3.29400532 5.27364490 5.35063175 0.00276272 0.00591900 0.00759512 0.02261592 0.02132704 0.04083185 0.00493883 0.00382548 0.00441106 +H 5.42045795 5.07514476 4.84522226 0.01984226 0.00918810 -0.01580058 0.00483241 0.08983002 -0.08798051 -0.00758093 0.00264542 -0.01610668 +C 7.50730030 6.84029119 5.86692879 0.00147050 -0.01079024 0.00250941 0.01097446 -0.03325047 0.02775190 0.00083764 0.00544023 0.00461597 +H 6.41520961 8.41102263 6.18261396 0.00517861 0.00219403 0.01017985 -0.00208462 -0.01750556 -0.00954069 -0.00503484 -0.00289914 -0.01262191 +O 7.66859417 5.60815954 5.84228091 0.00172090 0.00512940 0.00261972 0.01393176 0.02430521 0.01387952 0.00250588 -0.00031499 0.00139673 +C 8.71993982 7.78938487 6.04775175 -0.00222861 0.00451399 -0.00127429 -0.00151480 0.01073531 -0.00176800 0.00048507 -0.00161092 -0.00428121 +H 9.35792046 7.67791621 5.24319922 0.01011318 0.00356061 0.00051569 0.08500266 -0.04685107 -0.03912066 -0.01128838 -0.00705532 0.02020056 +H 8.58583345 8.84512049 6.02171578 -0.00792166 0.00744781 -0.00989420 -0.17645617 0.02966583 -0.00360993 -0.02660999 -0.02038353 0.01473242 +H 9.36095437 7.62236763 6.95549006 -0.00459141 -0.03937620 0.01895063 -0.19581933 -0.20988303 -0.03848527 -0.02741151 -0.01336230 -0.00117646 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95690324 5.75320010 5.80548397 -0.00073751 -0.00095819 -0.00057344 0.01451915 0.00993332 -0.00746163 0.00325422 0.00124414 -0.00179042 +C 2.29579964 6.16451496 5.76269744 -0.00103325 0.00112690 0.00410644 -0.02545033 0.00459507 0.03308397 -0.00465285 0.00020431 0.00515882 +H 0.90960111 4.81487590 5.75376998 -0.00247183 0.02266815 -0.01132874 -0.06365336 -0.01095244 -0.09618513 -0.00921423 0.01246211 -0.01185293 +C 2.62659543 7.50244436 6.09108333 -0.00496389 0.00458161 0.00356815 -0.04942019 0.01409504 0.03659578 -0.00856419 -0.00100039 0.00558451 +H 3.10369164 4.16502160 5.37808977 -0.01397635 0.02192371 0.00422701 -0.12895521 -0.01360672 -0.01983468 -0.01674033 -0.01886277 -0.00612389 +C 3.95068095 7.83990435 6.32767988 -0.00580940 0.00122340 0.00234273 -0.01291472 -0.00287601 -0.01582198 0.00012674 -0.00046812 -0.00617177 +H 1.88269327 8.22103641 6.38078038 -0.01683943 0.00490161 -0.02360357 -0.11913555 0.02110366 -0.19688998 -0.00717481 -0.00246734 -0.02406459 +C 4.97834879 6.90938555 5.99346762 0.00093969 0.00176570 -0.00448746 -0.01262917 0.00994970 -0.00350957 -0.00129142 0.00000138 0.00289793 +H 4.27614183 8.84234660 6.58514548 -0.00515763 -0.01060427 -0.01357122 -0.10844889 0.03821451 -0.01907675 -0.01983063 0.01294638 0.00405937 +C 4.65513512 5.56945471 5.73782158 0.00239955 -0.00295792 -0.00120234 0.01006106 -0.02439975 -0.02015250 -0.00142373 -0.00363843 -0.00327217 +N 6.22085237 7.41926264 6.06091852 0.00336823 -0.00011658 0.00129116 0.06930725 0.00054366 -0.00912103 0.01230913 0.00189668 -0.00387540 +C 3.32787919 5.21735306 5.56985858 -0.00475637 -0.00566783 -0.00161488 -0.04164795 -0.02148763 0.00201294 -0.00595393 -0.00016676 0.00214700 +H 5.37708065 4.79370813 5.52997436 -0.01101124 -0.02302972 0.03034115 0.01038485 -0.06658841 0.20520540 0.01132782 0.00923715 0.01974495 +C 7.49724808 6.86944118 5.92945535 0.00309171 -0.00001556 -0.01060688 0.01066908 -0.00720230 -0.06680215 0.00242598 -0.00316305 -0.00763307 +H 6.19269553 8.40049468 5.98897266 0.00182057 -0.00411593 0.00196958 0.08377076 0.03993707 0.07411324 0.02340065 -0.00880697 0.01860757 +O 7.75414943 5.67791343 5.91757575 0.00719177 -0.00241756 0.00259944 0.03653177 -0.02064527 0.01644268 0.00295357 -0.00276272 0.00172973 +C 8.73272943 7.73913545 5.76356616 0.00427717 0.00610116 0.00186130 0.00077595 0.03345085 0.01343469 -0.00459528 0.00546789 0.00698718 +H 9.26499660 7.63741215 6.64735808 -0.00690090 -0.03429793 0.00026128 0.05551735 -0.11505642 0.06856856 -0.00307256 0.01207118 -0.01639745 +H 9.34675359 7.40193033 4.85061134 -0.00393515 0.01717010 0.02197455 0.02722177 0.09653436 0.09918740 0.02669690 0.00496692 -0.02297268 +H 8.42735699 8.72809045 5.56862928 -0.02101123 -0.01278602 0.01151791 -0.09355881 0.09989707 0.12122897 0.01015728 0.00912572 0.02591395 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.91213633 5.69156795 5.68808250 0.00729659 0.00101342 -0.00582218 0.05746713 0.02434868 -0.02947334 0.00660974 0.00308717 -0.00474800 +C 2.23025200 6.14888704 5.87109444 -0.00540892 -0.00216388 0.00328975 -0.02787352 -0.01693636 0.02999607 0.00345633 -0.00114420 0.00562815 +H 0.90213485 5.01995871 5.05992504 0.01773755 0.01376152 0.00548441 0.06899193 -0.01790883 -0.04815901 0.00255651 0.01592578 0.01245725 +C 2.55571047 7.29778211 6.63758026 0.00661392 0.00293907 0.00445250 0.04228226 0.00966306 0.01519203 0.00409326 -0.00340778 -0.00205395 +H 3.01819226 4.35387571 4.91516855 -0.00721281 -0.01147374 0.00094037 -0.04592818 0.04578447 -0.02084808 -0.00311144 0.01541171 -0.01132080 +C 3.95876560 7.69736897 6.76178693 -0.00326277 0.00750619 0.00070999 -0.02598929 0.04691772 -0.00677261 -0.00101619 0.00336564 -0.00353154 +H 1.71996630 7.91085401 7.07358794 -0.01653904 -0.00978931 -0.00246862 0.05913098 -0.08237819 -0.03969145 0.00523176 0.01171005 0.00831146 +C 5.03321782 6.93131918 6.17746778 -0.00000591 0.00045062 0.00422005 -0.01421574 0.00144306 0.01987256 -0.00602261 -0.00110596 0.00105030 +H 4.10367723 8.68193235 7.23947352 -0.00478804 0.01973376 -0.00102600 0.02892574 -0.00867226 -0.02368550 0.01244938 0.00075183 0.00416494 +C 4.62063681 5.70608210 5.50608565 0.00049706 -0.00763768 -0.00005413 -0.00987897 -0.03335841 0.01633364 -0.00052355 0.00097444 0.00504536 +N 6.39326729 7.47425945 6.22551202 -0.00309622 -0.00315894 0.00029262 -0.01977271 -0.04450905 -0.01245491 -0.00218757 -0.00929747 -0.00395272 +C 3.22970541 5.32948389 5.34457356 -0.00323433 -0.00140943 -0.00021496 0.01141011 -0.00562204 0.01197047 0.00402688 0.00004243 0.00404717 +H 5.24827604 4.88757166 5.14432049 0.01080896 0.01414229 -0.00854111 0.17606880 0.19749604 -0.07418230 0.02156891 0.03110578 -0.00955510 +C 7.55727620 6.89031530 5.74800943 -0.00046728 -0.00315973 -0.00848989 -0.02878661 0.02201759 -0.02358544 -0.00730399 0.00611029 0.00122038 +H 6.50188993 8.42291869 6.59428151 0.03021908 0.00170970 -0.00192530 0.10197376 -0.10039864 -0.01468341 -0.00628618 -0.01101164 0.00641724 +O 7.65309581 5.80982659 5.26990208 0.00137716 0.00154575 0.00148740 0.00276124 -0.02016748 -0.00348154 -0.00054290 -0.00599584 -0.00213473 +C 8.85784451 7.67351625 5.85891917 -0.00616361 0.00239248 0.00269789 -0.04536693 0.00581774 0.03027770 -0.00462841 0.00057424 0.00284040 +H 8.59814909 8.72855533 6.03137076 0.00629088 -0.01207186 0.01007397 0.08348992 0.03996389 -0.01094975 0.01028475 0.01885319 -0.00729654 +H 9.38411885 7.33143933 6.75741822 0.02353707 0.00095777 -0.01036860 0.10879199 -0.00073333 -0.09929510 0.00613260 -0.00556774 -0.01113893 +H 9.46470292 7.42016339 5.02296024 -0.01848150 -0.00079614 -0.00621069 -0.08991076 0.12218996 -0.08392167 -0.02037005 0.03373053 0.00237567 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98389319 5.79388268 5.74445270 0.00047976 -0.00082358 0.00346532 0.00153868 -0.02178523 0.01917645 -0.00160622 -0.00323899 0.00304412 +C 2.29401857 6.08477895 5.88754354 -0.00297823 0.00170663 -0.00249900 -0.01184570 0.06281274 -0.01324135 -0.00022761 0.00852151 -0.00278228 +H 0.37379192 6.40311720 6.11333081 0.01032920 -0.02121816 -0.00738442 -0.02801186 0.00755354 0.02009398 0.00758185 -0.00456852 -0.00331133 +C 2.68830865 7.48674576 6.15271576 -0.00954458 0.00335151 -0.00446933 -0.09120056 -0.03131762 -0.03138300 -0.01090159 -0.00502382 -0.00290866 +H 2.95744408 4.08942937 5.47556353 0.00390423 0.01457713 -0.01834774 0.03918379 0.04469289 -0.13482504 0.00634641 -0.01109073 -0.01804209 +C 3.99052976 7.80601729 6.28890774 -0.00011176 -0.00216026 -0.00120312 0.00647266 -0.00889399 -0.01937390 -0.00148547 -0.00055403 -0.00442990 +H 1.90114479 8.20388300 6.24285741 0.00449538 0.00979751 0.00476457 0.00905156 0.10342873 0.00951324 0.00063682 -0.00087859 -0.00527773 +C 5.00730821 6.84428437 6.13390322 0.00771801 0.00577316 0.00366560 0.02400166 0.01242922 -0.00450111 -0.00304940 -0.00343310 -0.00472057 +H 4.17985277 8.87113001 6.31991524 -0.00891109 -0.01485105 -0.01133807 0.04131261 -0.00266628 0.04900744 0.01631569 0.00689969 0.02259663 +C 4.63247190 5.49802978 5.74854526 -0.00007288 0.00021006 0.00130523 0.00890735 0.01538714 0.03354318 0.00409608 0.00417309 0.00777217 +N 6.29645417 7.39264371 6.11729678 -0.00579344 -0.00318711 0.00562557 -0.01723718 -0.02353798 0.04026968 0.00184421 -0.00191101 0.00675522 +C 3.25301025 5.13233758 5.68073137 0.00420444 -0.00109596 -0.00408457 0.04299300 0.00061910 -0.02767057 0.00498189 0.00490354 -0.00329460 +H 5.34185715 4.68962668 5.62315635 -0.00162547 -0.00588215 0.01399138 0.03736050 0.04849955 0.03528522 0.01181577 0.01635369 -0.00404287 +C 7.50115152 6.87684456 5.77804254 0.00253396 0.00461899 0.01242014 -0.00185298 0.02429611 0.08732928 -0.00150147 -0.00335254 0.00871724 +H 6.35322517 8.38066171 6.32706203 -0.01151707 -0.00674969 0.00489272 -0.08400751 -0.04043924 0.09896906 -0.00906737 -0.00288413 0.02243309 +O 7.74285793 5.83952872 5.27579013 -0.00219341 -0.00252928 -0.00468822 -0.02301461 -0.02936379 -0.03495367 -0.00486142 -0.00269518 -0.00335531 +C 8.65232205 7.72152119 6.18592396 0.00443623 -0.00339292 -0.00787414 0.05805536 0.00509384 -0.03841603 0.00906033 0.00524184 -0.00265987 +H 9.33496336 7.15260428 6.87412310 0.03462723 0.01648103 -0.01278001 0.12963973 0.11822140 -0.14153117 0.01824571 0.00015620 -0.00776852 +H 9.25320003 8.04122744 5.28712370 0.00280924 -0.01016670 -0.00214894 -0.02255779 -0.07620273 -0.04553869 0.00107811 -0.00115735 -0.03267959 +H 8.35548819 8.63104320 6.69414457 -0.00010896 0.00814173 0.00222752 0.03504389 -0.02250561 -0.03673404 0.01248348 -0.00692235 -0.01152342 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03928381 5.72870101 5.63559047 -0.00055002 0.00107306 -0.00077178 -0.00707931 0.00508889 -0.00808826 -0.00147026 0.00171534 -0.00000304 +C 2.32305314 6.09192301 5.93179149 -0.00249856 0.00278945 0.00252168 -0.02193363 0.02843728 0.01696020 -0.00262457 0.00412955 0.00165449 +H 0.96915475 5.11049206 4.93129368 -0.00274257 -0.01559063 -0.01813096 0.00773978 0.00226677 0.03272425 0.00349028 -0.00492716 0.00406398 +C 2.63354323 7.37959598 6.47850685 -0.00749257 -0.00035509 -0.00092171 -0.04522548 0.01195710 -0.00821689 -0.00216106 0.00053276 -0.00305619 +H 3.08584645 4.25143642 5.09939000 -0.02338685 -0.00816300 0.02848677 -0.04008384 0.00289179 0.27292527 0.01186607 -0.00220589 0.03264795 +C 3.97899795 7.85582846 6.49559362 -0.00302938 -0.00621689 0.00171136 -0.02782616 -0.04034646 0.01598838 -0.00555066 -0.00718855 0.00159650 +H 1.86441785 8.13806434 6.85826878 -0.02292743 0.00767153 -0.01652518 -0.08404738 -0.12551508 -0.20953589 -0.03490737 -0.00053785 -0.02250137 +C 5.01396120 6.97786279 6.07431924 0.00478638 0.00344281 0.00298896 -0.00406216 0.00736984 0.01892334 -0.00674668 -0.00435954 0.00190983 +H 4.18982484 8.88892374 6.88037103 0.01284154 0.01650048 -0.01305190 0.01130939 -0.09614214 -0.15645862 -0.00436859 -0.00066584 -0.01354071 +C 4.68889445 5.65252318 5.69841020 0.00823226 0.00101968 0.00049973 0.02880221 -0.00857132 0.00409570 0.00114934 -0.00168541 -0.00011220 +N 6.28317181 7.49516659 6.06811129 -0.00971896 -0.00641025 0.00095423 -0.01805700 -0.04518619 0.00874601 0.00516639 -0.00698678 0.00041178 +C 3.33694532 5.20383653 5.58947920 0.00073794 0.00595698 0.00172226 0.02045152 0.04832371 0.00755984 0.00395724 0.00780652 0.00227791 +H 5.36624972 4.83804671 5.54850973 0.01576094 0.00834882 -0.02017702 0.13226556 0.13314224 -0.19168484 0.00224919 0.02534136 -0.02415677 +C 7.43708320 6.86436075 5.70111113 0.00562153 0.00343127 -0.00151779 0.03118354 0.02260036 0.01815853 0.00183049 -0.00052824 0.00557436 +H 6.42103865 8.38765526 6.59929925 -0.02340481 -0.00387520 0.00193294 -0.14711181 -0.04172006 -0.09742560 -0.00856715 0.02330335 -0.01111164 +O 7.54176971 5.67630666 5.36896508 0.00264282 -0.00565648 -0.00309201 0.02434527 -0.01441565 -0.02316944 0.00480828 0.00336390 -0.00294777 +C 8.72385424 7.71308832 6.02787896 0.00247403 0.00245540 0.00011970 0.01724733 -0.00007936 -0.00524717 0.00543821 -0.00111922 -0.00380452 +H 8.85824685 7.97240650 7.07665619 0.01686642 -0.00372438 0.01391198 0.01459711 -0.01860031 -0.00854238 -0.01164413 -0.00092424 -0.01247206 +H 9.53958884 7.09689519 5.81715215 0.01381290 0.00765176 -0.00747846 0.10105726 0.01478304 -0.06011179 -0.01201539 0.01259579 -0.00203956 +H 8.85007143 8.54304919 5.39831162 0.00978068 0.00377722 -0.00579180 -0.00261856 0.07441132 -0.02021219 -0.01478066 -0.00676779 0.01825036 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97797110 5.61866225 5.91048131 -0.00317081 0.00039115 0.00657029 -0.00141387 0.00447572 0.03198496 0.00294987 0.00185693 0.00370355 +C 2.30488996 6.06164168 5.92603701 0.00081180 0.00399934 0.00326909 -0.02463371 0.04270754 0.04085525 -0.00447900 0.00424775 0.00347808 +H 0.72978588 5.13180275 5.15389599 0.02258173 -0.01898885 -0.01691418 0.17485291 -0.04664610 0.05701267 0.01941911 -0.00787315 0.01576010 +C 2.67030603 7.11743405 6.81593009 0.00466288 0.00264628 -0.00668534 0.00903746 0.00828282 -0.01869647 -0.00106941 -0.00132475 -0.00046936 +H 2.90183710 4.84666871 4.38280075 0.02573036 0.01145267 -0.00684209 0.18397379 -0.04011992 -0.08744812 0.01744173 -0.02088901 -0.01658295 +C 4.04518516 7.48922091 6.86554598 -0.00507912 -0.00854561 0.00074612 -0.01341433 -0.04370583 0.02541903 0.00189776 -0.00357377 0.00491286 +H 1.98693974 7.51673995 7.58122629 -0.04275980 0.00671845 0.01745449 -0.03444649 -0.03303604 -0.19497991 0.00599253 0.00585969 -0.03497781 +C 5.04569244 6.89805792 6.08814088 0.00448437 0.00146056 -0.00454753 0.01682771 0.01970666 -0.02388151 -0.00180634 0.00339242 -0.00096281 +H 4.44328598 8.14348365 7.63414373 -0.00276891 0.00652484 0.00505509 -0.17677850 0.04734285 -0.02856278 -0.03490084 0.01093959 -0.00334181 +C 4.63299085 5.89897666 5.15859065 0.00322323 0.00083020 0.00103051 0.02570184 0.01060102 -0.00562903 0.00399058 0.00264374 -0.00338608 +N 6.35612882 7.41622052 6.28423581 -0.00238121 0.00138279 0.00646610 -0.01908510 -0.01830983 0.03158753 -0.00174854 -0.00476863 0.00375693 +C 3.26937591 5.54436771 5.13438798 0.00327539 0.00174940 -0.00510260 0.02700397 -0.00316619 -0.05854906 0.00268411 -0.00067053 -0.00822032 +H 5.25714168 5.40838555 4.45449089 0.01430281 0.00582204 -0.03263846 0.03801960 0.11627633 -0.04867570 -0.00353411 0.02168042 0.01829855 +C 7.46300063 6.94146511 5.75114608 0.00172534 -0.00085837 -0.00379860 0.00705048 -0.00508613 -0.02961457 -0.00099954 0.00078077 -0.00246549 +H 6.59212850 8.06940336 6.98734087 -0.02270900 -0.01563396 0.00953984 -0.21898062 0.00154820 0.12357425 -0.03033328 -0.00769537 -0.00350345 +O 7.49673093 6.05862388 4.86992859 -0.00354039 -0.00453751 0.00149165 -0.01619589 -0.02427479 0.01776917 -0.00077733 -0.00279796 0.00291928 +C 8.74734140 7.60480636 6.23259109 -0.00239928 0.00130179 -0.00081405 0.01040281 -0.00171914 -0.03009543 0.00395264 0.00006456 -0.00329733 +H 9.14440130 8.17285628 5.38497294 0.00361199 0.01318457 -0.02667901 -0.04087016 0.05516228 0.04048689 -0.00552009 0.00590998 0.02061239 +H 8.76482875 8.08751708 7.15381141 0.00975456 0.01067100 0.00359079 -0.04714096 0.12455876 -0.00857174 -0.02414509 0.00272525 -0.03816142 +H 9.48740179 6.80729133 6.32333499 0.00431218 -0.00393984 0.01910996 -0.02475237 0.01447579 0.11238200 -0.00430338 0.00428949 0.00862030 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98922991 5.79243078 5.90337566 0.00090273 -0.00005236 0.00300252 0.01948226 -0.01080950 0.01563931 0.00260665 -0.00082163 0.00261132 +C 2.36607934 5.93059844 5.84384614 -0.00031477 0.00235825 0.00165694 -0.01829508 0.01110052 0.01763952 -0.00436370 -0.00015480 0.00305409 +H 0.50720397 6.51593263 6.25000939 0.02117755 -0.01789639 0.00891905 0.07759162 0.02489241 0.10870390 0.01729939 -0.00877256 0.00442194 +C 3.18983260 4.78317618 5.84605767 -0.00448656 0.00527655 -0.00127490 -0.00265383 0.03053017 -0.02846390 0.00525367 0.00343980 -0.00574905 +H 2.21775681 8.06762109 5.79820143 -0.00096475 0.00862907 -0.04319275 0.11515891 0.00483317 -0.24760666 0.00701578 0.00961212 -0.02255157 +C 4.61309454 4.97395235 5.74352455 0.00900138 -0.00402610 0.00263810 0.03024276 -0.02603098 0.04580358 -0.00204209 -0.00068302 0.00894562 +H 2.70891689 3.81526923 5.77582954 -0.02152659 -0.00851207 -0.01605470 -0.00539567 0.06332086 -0.00948241 0.01362020 0.01331500 0.01023997 +C 5.17414935 6.26505265 5.83017433 -0.00064113 0.00384325 -0.00279713 -0.02955956 0.03618678 -0.02793647 -0.00478482 0.00392656 -0.00460663 +H 5.26974901 4.10877401 5.86460687 0.01155406 -0.00058393 0.00186246 0.04809533 -0.01371525 -0.10753623 0.00375691 -0.00662072 -0.02570572 +C 4.31482704 7.36749988 5.80928851 -0.00691669 0.00005378 0.00259881 -0.05694838 0.01603265 0.00922668 -0.00941218 0.00341162 -0.00013381 +N 6.47961639 6.50107804 5.71586195 0.00371526 0.00143772 -0.00198290 0.04750702 -0.00530310 -0.01887661 0.00685627 -0.00186792 -0.00305052 +C 2.93799689 7.22070403 5.81534970 -0.00415565 -0.00217977 -0.00136559 -0.05435318 -0.01440907 -0.01193508 -0.00810138 -0.00185867 -0.00252148 +H 4.64031807 8.41018495 5.68546963 -0.02866453 -0.00329817 -0.01550170 -0.06630019 -0.01108183 -0.03447287 0.01298301 0.01142401 0.00403102 +C 7.30911851 7.54152429 5.97957364 0.00082534 -0.00530482 0.00387025 0.00517600 -0.02007402 0.03862968 0.00173675 -0.00007660 0.00701274 +H 6.92062561 5.63174995 5.39388246 0.00027959 0.01333184 -0.02015729 0.10879848 0.09326779 -0.11223011 0.03107664 -0.00074538 -0.01431178 +O 6.97443068 8.66989025 6.36833250 -0.00007215 0.00045829 -0.00258693 -0.00292367 -0.00795971 -0.02337746 -0.00092682 -0.00270780 -0.00382729 +C 8.78067196 7.18433863 5.96982564 0.00192261 -0.00090196 0.00293950 0.01774491 0.00231626 0.02635618 0.00340924 -0.00020629 0.00211721 +H 8.77199388 6.13699044 6.23415829 -0.00365476 -0.01786396 -0.01719976 0.15901184 -0.03406256 -0.15342437 0.03794156 0.01476435 -0.02953818 +H 9.31088260 7.44152034 5.09563427 -0.00044923 0.02942877 -0.00523538 -0.07850475 0.09539869 -0.05298071 -0.02526658 -0.00191167 0.01575922 +H 9.29200398 7.84783227 6.69760067 0.01422245 -0.01916074 0.02902306 0.01316800 -0.27607758 0.16815738 -0.00225248 -0.04201496 0.02260472 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00003677 5.59316601 5.90679586 -0.00721535 -0.00005105 -0.00152359 -0.02966597 0.00459650 -0.00656934 -0.00067516 0.00149657 -0.00045272 +C 2.31686874 5.99366561 6.00443531 0.00334088 -0.00013577 -0.00540499 -0.01258341 -0.01662016 -0.06025884 -0.00654333 -0.00471495 -0.00688154 +H 0.66192048 5.61127727 4.98976599 0.00605888 0.01984136 0.00839793 -0.01142976 0.13362233 0.00616998 -0.01464430 0.01668311 -0.01215133 +C 2.96488057 5.97325400 7.20297178 -0.00400351 -0.00349004 0.00523065 0.01727775 0.00318763 0.02016732 0.00561662 0.00173747 0.00367575 +H 2.49742891 6.46029064 3.83458512 0.02756440 0.00419016 0.00592852 0.07212267 -0.02699308 -0.04482803 -0.01390830 -0.01045008 -0.02440816 +C 4.28593291 6.48696324 7.29936311 0.01043178 0.00244068 0.00400613 0.04210567 -0.01021557 0.04138136 0.00273298 -0.00390190 0.00556376 +H 2.41800420 5.66100539 8.01437223 0.02981061 -0.00582180 -0.02249543 0.04011248 -0.12557260 0.16234921 0.01271974 -0.00182938 0.00558970 +C 5.03621130 6.82081387 6.17261038 0.00013522 0.00539446 0.00066786 0.00538246 0.04975447 -0.01691588 -0.00073027 0.00678223 -0.00205272 +H 4.65167182 6.45101517 8.30584961 0.01897522 0.00661938 0.00494798 0.20535088 0.08364984 -0.01292780 0.02645325 0.01054816 -0.01215424 +C 4.36195075 6.85476963 4.89909792 -0.00250620 -0.00502666 0.00276169 -0.01328473 -0.03831724 0.02565176 -0.00128381 -0.00528577 0.00411292 +N 6.37171527 7.27665101 6.33351448 0.00030237 0.00060335 0.00230270 -0.01585705 -0.00512392 0.01665926 -0.00452016 -0.00134130 0.00224981 +C 3.00865303 6.38447634 4.82012251 -0.00877208 -0.00246836 -0.00411219 -0.02164177 0.00567200 -0.01729399 0.00392618 0.00385728 -0.00128586 +H 4.87302753 7.24417268 4.02909614 0.02772496 0.00974681 0.00112266 0.05141735 -0.05906676 0.09389399 -0.01104666 -0.02293781 0.01103805 +C 7.49152641 7.04455682 5.60951605 -0.00125284 0.00461580 0.00340328 -0.02887615 0.03612899 0.02124127 -0.00476744 0.00303286 -0.00198982 +H 6.52195725 7.73822955 7.23850848 -0.01583820 -0.01176600 -0.00488417 -0.02855633 -0.04615924 0.03171862 0.00866736 0.00045106 0.01702929 +O 7.48790108 6.51201192 4.53082325 0.00100447 -0.00445128 -0.00968297 0.01131013 -0.02656396 -0.05796837 0.00181646 -0.00134974 -0.00361381 +C 8.72494521 7.57873981 6.30434028 0.00646881 -0.00083255 0.00405428 0.02449625 0.00433074 0.02256854 0.00077316 0.00114321 0.00423445 +H 8.83434925 7.13424724 7.24777928 -0.02194536 0.03623960 0.01738541 -0.05240399 0.13152105 0.16504133 0.00725255 0.00956133 -0.00773389 +H 9.57534495 7.36623437 5.66562918 -0.03405995 -0.00028225 0.00588674 0.03609231 -0.09398638 -0.01732953 0.02788940 -0.02082130 0.00686555 +H 8.70072450 8.65524182 6.43344462 0.01030575 -0.00161893 0.00319683 0.04555577 0.01866429 -0.02665663 0.00460076 0.00352139 -0.01486416 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97181077 5.81772283 5.84564974 -0.00118440 -0.00686002 -0.00207854 0.00877568 -0.04617147 -0.01417160 0.00309371 -0.00740782 -0.00268821 +C 2.32632445 6.10314767 5.91197385 0.00315275 -0.00177765 0.00719438 -0.01081514 -0.01336721 0.05267575 -0.00572039 -0.00257921 0.00627223 +H 0.77912976 5.14716549 5.25886048 0.00671876 -0.01596925 0.00097419 0.03935478 -0.09527042 -0.00073026 0.00981406 0.00676912 0.01373743 +C 2.78246381 6.96173434 6.95363743 -0.00565255 0.00289550 0.00271591 -0.06104296 0.02195376 0.02925716 -0.00960718 0.00304491 0.00411893 +H 3.04385389 4.87523762 4.16456268 0.02630412 -0.00547253 -0.02350013 0.00269697 0.07067810 0.02827652 -0.02749659 0.01672096 0.01474006 +C 4.11324675 7.25004126 7.19258834 -0.00294150 0.00342757 -0.00355336 0.00998356 0.00053312 -0.06990919 0.00217048 0.00005164 -0.01063814 +H 2.11163903 7.38031285 7.66816501 -0.03224649 0.02432753 -0.00732108 -0.16435471 0.06881350 -0.11431850 -0.00723162 -0.00331880 -0.01838254 +C 5.05858668 6.77951669 6.18783216 0.00878395 -0.00323708 0.00339939 0.00693176 -0.02476657 0.04155510 -0.00556276 -0.00444017 0.00607274 +H 4.49318220 7.76127503 8.04164353 -0.00707309 0.00654053 -0.02577637 -0.09047081 0.17213018 -0.07276534 -0.01981507 0.02114605 -0.02121222 +C 4.59596289 5.93452546 5.10905864 0.00197790 0.00586710 0.00414900 0.01456940 0.04086531 0.03913670 0.00017334 0.00509783 0.00550492 +N 6.36489640 7.15372440 6.43617293 -0.00453169 -0.00334085 -0.00468041 -0.01404272 -0.02013596 -0.03394890 0.00146357 -0.00340218 -0.00650873 +C 3.23667032 5.53389742 5.00886185 -0.00550318 0.00804487 0.00003690 0.00753465 0.06157863 -0.01165663 0.00748973 0.01050708 -0.00038489 +H 5.35354065 5.52724142 4.43744019 -0.00352446 0.01779397 -0.01135120 -0.10311393 0.11473447 -0.08668224 -0.01251044 0.01235287 -0.01243544 +C 7.43176343 6.98649504 5.65166831 0.00704618 -0.00243039 -0.00412563 0.02028008 -0.01210353 -0.01530689 -0.00202722 0.00003618 0.00143465 +H 6.50777087 7.70928871 7.28857554 -0.00592893 -0.00886709 0.02378487 -0.02894402 -0.15497541 -0.02318525 0.00506769 -0.01408428 0.00115714 +O 7.53157265 6.37985974 4.58542219 -0.00066344 0.00140881 0.00255922 -0.00782716 0.00424027 0.00913398 -0.00132095 -0.00070459 -0.00100264 +C 8.60022098 7.66144823 6.17739668 -0.00017296 -0.00265276 -0.00110366 0.05260741 -0.02797381 0.00922653 0.01330914 -0.00286550 -0.00045880 +H 9.41954316 6.91982213 6.19461825 0.01871116 -0.02006513 -0.01522131 -0.00433565 0.00612953 -0.08094460 0.00422447 0.00475974 -0.00274786 +H 8.93934713 8.43800736 5.51496494 0.00912251 0.00605931 0.02285117 0.02480326 0.11159998 0.13541772 -0.00613383 0.00752104 0.01514961 +H 8.47085283 7.92951241 7.28641425 0.00049373 0.00780719 -0.01085212 0.02723304 0.09480246 -0.12678357 0.00292320 0.01868348 0.01696480 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92443063 5.79663811 5.89819829 0.00062756 0.00495707 -0.00149096 -0.01322198 0.03791075 0.00133721 -0.00316751 0.00522222 -0.00097738 +C 2.20421431 6.14255281 5.92801534 -0.00050471 -0.00331051 -0.00346742 0.06414107 -0.01966567 -0.02002417 0.01448127 -0.00205230 0.00074893 +H 0.45952228 5.48009671 5.13613387 0.01446020 0.00814641 0.01976764 0.11458892 -0.00792530 -0.08703397 0.02744203 0.00266551 -0.00911667 +C 2.78511656 6.63930582 7.09917832 -0.00185817 -0.00406799 0.00717456 -0.00861748 -0.01159358 0.04676244 -0.00106136 0.00035874 0.00261691 +H 2.72051890 5.35038743 4.02466188 -0.00233028 -0.02603635 0.01148054 0.11676777 -0.07645458 0.00964071 0.02547719 -0.00090805 -0.01937783 +C 4.19149759 6.85611917 7.25884719 -0.00170500 -0.00507463 0.00008147 -0.01801318 -0.02775305 0.00878753 -0.00499757 -0.00326225 0.00175067 +H 2.16463862 6.92764478 7.94324948 -0.01286177 0.03399946 -0.02461760 -0.11402343 0.13877519 -0.10495206 -0.01270763 0.00038060 -0.00088822 +C 5.08082690 6.59464521 6.22919194 0.00455615 0.00377576 0.00137382 0.01601418 0.00990100 -0.00142755 -0.00148118 -0.00075718 -0.00030597 +H 4.73363875 7.28510224 8.15126871 -0.02980432 -0.00170800 -0.00166180 -0.32337329 -0.02078321 0.07129604 -0.03413770 0.00578270 0.03678546 +C 4.54643373 6.09738109 5.03799158 -0.00519996 0.00545609 0.00516093 -0.01582637 0.02701850 0.00452170 0.00101175 0.00259178 -0.00239266 +N 6.44892524 6.74406607 6.44104947 -0.00347367 -0.00251050 0.00201828 0.00157903 0.00958552 0.02299402 0.00499514 0.00506146 0.00257719 +C 3.15008364 5.86954659 4.88552034 0.00916184 -0.00136681 -0.00418638 0.01823557 -0.02443151 -0.01526239 -0.00250918 -0.00527061 0.00029554 +H 5.20086967 5.82059492 4.21020956 0.01218284 -0.00168553 -0.00322915 -0.00983830 0.02696754 0.07753542 -0.00147956 0.00305015 0.00452660 +C 7.46193460 7.09611368 5.62732854 0.00027953 -0.00186162 -0.00273163 0.01781564 -0.01963845 -0.00803648 0.00284971 -0.00380621 0.00042512 +H 6.69366859 6.92690782 7.41330265 0.01702839 0.00076085 -0.00174883 0.05274153 -0.03649786 -0.00602471 -0.00208086 -0.00783223 0.01489254 +O 7.47552221 6.91816848 4.42384199 -0.00243093 -0.00214822 -0.00253259 -0.02354182 -0.01427341 -0.02422901 -0.00407896 -0.00188308 -0.00382811 +C 8.76444117 7.72154443 6.25778376 -0.00075430 0.00196874 -0.00059849 -0.02002669 0.01224109 -0.02355840 -0.00521772 0.00286655 -0.00408996 +H 9.54537480 7.81468688 5.48396760 0.01104848 0.01708121 -0.02610573 -0.06509627 0.04955884 0.01183712 -0.01418571 0.00220242 0.01151056 +H 8.46881825 8.74235569 6.46220375 0.00638275 0.00545430 0.02701738 0.08350323 -0.02901408 0.22898927 0.01189093 -0.01871325 0.02431039 +H 9.12359247 7.13176634 7.12797078 0.01341665 0.00768499 0.00146782 0.06615836 0.08951598 -0.05931733 0.00873614 0.00123093 -0.01084553 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04163751 5.82884864 5.87852519 0.00366018 0.00362375 -0.00282139 0.00503443 0.01703670 -0.01702599 -0.00220096 0.00252980 -0.00215878 +C 2.34640304 6.13890084 5.92666931 -0.00345299 -0.00100930 0.00043024 -0.01273898 -0.02301328 -0.00714572 0.00152098 -0.00313292 -0.00242178 +H 0.81682664 4.88029589 5.96468910 0.01242188 0.00111292 0.00244925 0.11169188 0.02826168 -0.01063611 0.00864716 -0.02213569 -0.00296934 +C 2.66981502 7.41749828 6.35276374 0.00484055 -0.00260554 -0.00160106 0.02939000 -0.01146136 -0.02912586 -0.00061439 -0.00221955 -0.00570555 +H 3.09618461 4.20252894 5.17855252 0.00064281 -0.01688729 -0.00088063 -0.04430660 -0.01914948 0.04355373 -0.00589868 0.02956784 0.01517627 +C 4.02377158 7.81718046 6.27077226 -0.00561510 -0.00325426 0.00093524 -0.03750410 -0.02211403 0.00499777 -0.00164250 -0.00163005 0.00054016 +H 1.91767598 8.18143046 6.48671444 -0.00225915 -0.01497381 0.00016440 -0.02271344 -0.11056950 0.14216423 0.00271165 -0.01369858 0.03475999 +C 4.97846529 6.91050178 5.76672249 -0.00561964 0.00041233 -0.00448162 -0.01510019 0.02098392 -0.00568272 0.00143721 0.00414148 0.00305056 +H 4.25739859 8.81242868 6.59121314 0.00723038 -0.00730084 0.02343714 0.03912765 -0.07251506 0.09594447 -0.00281785 -0.01421438 0.00181454 +C 4.67473298 5.60899647 5.40239264 0.00264220 -0.00031688 0.00660164 -0.01109821 -0.02060206 0.05773200 -0.00489866 -0.00391745 0.00909359 +N 6.26073830 7.39595657 5.84497697 -0.00162401 -0.00005370 0.00256073 -0.00649547 0.03148109 0.01971113 -0.00008578 0.00651939 0.00268969 +C 3.30843958 5.17840354 5.48476602 -0.00317340 0.00208610 -0.00042773 0.00220757 0.02146377 -0.00368025 0.00214185 0.00078709 -0.00074305 +H 5.49886089 4.91681214 5.26450191 0.00832802 0.00242216 0.02081824 -0.04491372 -0.03262603 -0.01018447 -0.01542500 -0.01261314 -0.01963223 +C 7.46310887 6.85350034 5.98379359 0.00398530 -0.00014988 0.00753705 0.00701087 0.01432183 0.03568720 -0.00348199 0.00443505 0.00193657 +H 6.27076149 8.41339810 5.94800930 -0.01225494 0.01617468 -0.02661722 -0.02329840 -0.01056423 -0.20241292 0.00772050 0.00818886 -0.02695015 +O 7.57805598 5.63975762 6.03096935 0.00086101 0.00526648 -0.00349200 0.02242785 0.02595918 -0.01873037 0.00518913 0.00166877 -0.00169381 +C 8.67773126 7.82867130 5.95398105 -0.00261451 0.00194032 -0.00188220 -0.00539273 -0.04956224 -0.02240008 0.00138741 -0.01048921 -0.00495211 +H 8.50806322 8.78612601 6.38605137 0.01837902 -0.02259298 -0.02035475 0.10416529 0.03249066 0.05960884 0.01497411 -0.00997256 0.02041298 +H 9.50169598 7.26955607 6.39688258 0.01160982 -0.06126292 -0.02309658 -0.05219729 -0.12133316 -0.16290882 -0.01052814 0.01732288 -0.01184279 +H 8.87938201 7.96198228 4.91071209 0.01403977 -0.00253043 0.00396378 0.10188364 0.02001804 -0.02353333 0.00383040 0.00361535 0.00349011 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00264712 5.73414021 6.03098132 0.00022730 -0.00095566 -0.00244442 0.01643867 0.00858498 -0.02024694 0.00354521 0.00104460 -0.00310447 +C 2.31689713 6.15040918 5.88285487 0.00417266 0.00773163 0.00368416 0.00514224 0.03657618 0.02923139 0.00014677 0.00058274 0.00449737 +H 0.96054537 4.81916609 5.99519593 -0.00989455 0.01030204 0.01106149 -0.07947698 -0.02067013 0.09844807 -0.00417121 0.02633311 0.01535533 +C 2.60767789 7.43158693 5.34732150 0.00205013 0.00314998 -0.00016466 0.02914917 0.02963309 -0.00318771 0.00375070 0.00512118 -0.00066863 +H 3.24932328 4.21904619 6.47285379 0.01240822 -0.00675624 0.00955809 -0.08516050 0.01204311 0.13565283 -0.02760761 0.01038495 0.02222824 +C 3.97643234 7.80194896 5.12714830 0.00309915 0.00326402 -0.00085413 0.01778994 0.01437689 0.00648932 0.00117220 -0.00086817 0.00286990 +H 1.86257531 8.14065782 5.13760819 -0.01519595 0.00363615 -0.00570916 -0.06330055 -0.04474511 -0.06004160 0.01504845 -0.02196810 -0.00699230 +C 4.99528152 6.92257376 5.58430428 -0.00475345 -0.00363693 -0.00519556 -0.01121594 -0.05122060 -0.02627590 0.00109597 -0.00805723 -0.00304071 +H 4.31884001 8.76018414 4.72495361 0.00197949 0.00966778 -0.01501846 -0.10612369 -0.00119195 -0.03458247 -0.01916924 0.00185190 0.00096658 +C 4.70266016 5.59414444 5.99938051 0.00176006 -0.00198404 0.00135663 -0.01491913 0.00071813 0.01808894 -0.00432535 0.00060211 0.00352509 +N 6.34281750 7.27927801 5.59194228 -0.00624787 -0.00685001 -0.00053103 -0.03794652 -0.02004028 -0.03415465 -0.00203965 0.00194837 -0.00887671 +C 3.33917260 5.26514765 6.21885583 0.00171318 -0.00538398 0.00193872 0.03520410 -0.04235402 -0.00462579 0.00388904 -0.00437020 -0.00249285 +H 5.47094476 4.86919820 6.25056475 0.00448531 0.00066436 0.00048775 0.00320494 0.02299361 -0.00380787 -0.00286105 0.00401726 0.00072544 +C 7.48041312 6.84617454 6.13792318 0.00002400 0.00784924 -0.00116249 -0.02306531 0.01180554 0.02921005 -0.00672440 -0.00373183 0.00779231 +H 6.46250639 8.01002355 4.96026758 0.01136365 0.00314181 0.00810971 0.07920439 0.07156998 0.06345420 -0.00256193 -0.00187973 0.01958415 +O 7.51881346 5.92902628 6.99137796 0.00286787 -0.00375193 0.00172623 0.02493425 -0.00776578 -0.00836360 0.00397924 0.00135204 -0.00378886 +C 8.69087109 7.68347524 5.83886057 -0.00384410 0.00159164 -0.00271018 -0.00738267 0.03458938 0.01519248 0.00239271 0.00461811 0.00375096 +H 9.65306007 7.26040565 5.90858084 -0.01195523 0.01612061 -0.02258439 -0.00858469 -0.15150693 -0.07792432 -0.02015371 -0.03262966 0.00022481 +H 8.78346413 8.13928805 4.87094839 0.00641826 -0.00900524 0.01838617 -0.11822971 0.08849848 -0.03214222 -0.03641184 0.02640557 0.00042513 +H 8.79660545 8.43345790 6.63617708 -0.01222036 -0.00778353 0.05151480 -0.11674978 -0.11813434 0.07558998 -0.00985164 -0.00490411 -0.01318957 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00855438 5.71497396 5.94538561 0.00271405 -0.00610132 -0.00313608 0.00318650 -0.04372065 -0.02045057 -0.00343246 -0.00458227 -0.00496054 +C 2.32026462 5.95592337 5.96397868 -0.00775168 0.00055819 -0.00204098 -0.02246145 0.00859139 -0.01721210 0.00305063 0.00183079 -0.00257513 +H 0.67848637 6.19352374 5.22995378 0.01799229 -0.00366396 0.01475794 -0.04620521 0.03917722 0.00832418 -0.01419427 -0.01098420 0.02147212 +C 3.15146429 4.96073486 6.44437305 -0.00134910 0.00738548 0.00078987 -0.00370787 0.02981970 0.01953993 -0.00119072 0.00137945 0.00367518 +H 2.17412311 7.85233050 5.03778065 -0.00109976 0.00470277 0.01394442 -0.02189287 0.11028880 0.05047404 0.01295276 0.00357232 0.00916281 +C 4.57543664 5.08882264 6.46862452 -0.00079524 -0.00330216 0.00147655 -0.01736381 0.00076194 0.00058897 -0.00353830 0.00599981 -0.00125276 +H 2.67231983 4.09854399 6.87225852 -0.03753077 0.00743044 -0.00566620 -0.09490440 0.06602539 -0.05661197 0.01435650 0.00481519 -0.00215192 +C 5.13504942 6.29884874 5.92903859 0.00419835 -0.00420059 -0.00322609 0.00370274 -0.00128702 -0.02244246 -0.00352076 0.00272372 -0.00250041 +H 5.13772919 4.23497747 6.88212626 0.00340507 0.01026062 0.03837169 0.01044517 0.18277400 0.17777473 0.00382690 0.02277956 0.01275748 +C 4.28088027 7.34337523 5.39827338 0.00220410 0.00928162 -0.00070031 -0.00325739 0.01621780 0.00987232 -0.00277797 -0.00431156 0.00308919 +N 6.49506277 6.54456398 6.07803154 0.00162740 -0.00576356 0.00102264 0.01203170 -0.04963164 0.01673545 0.00192003 -0.00634817 0.00295966 +C 2.84099992 7.13735492 5.42294943 -0.00740271 0.00194943 0.00255414 -0.00442589 0.02463145 0.01494178 0.00411365 0.00684628 0.00098376 +H 4.75452417 8.22977180 5.00411973 0.01629960 0.00358104 -0.00053850 -0.03014512 0.04186145 0.00793704 -0.02489872 0.00320502 0.00604951 +C 7.33739430 7.56017185 5.85785169 -0.00075632 0.00060660 0.00505459 0.01115901 -0.02103024 0.01954681 0.00317341 -0.00628467 0.00006987 +H 6.95800166 5.74533797 6.51122046 0.00683673 -0.00652257 -0.00193269 0.04203476 -0.01937647 -0.01076977 0.00845661 -0.01226213 0.00525101 +O 7.15803323 8.56504185 5.19017647 -0.00176727 -0.00208269 -0.00274311 -0.02044449 -0.01197359 -0.01218244 -0.00388348 -0.00219073 -0.00009187 +C 8.74940905 7.16344448 6.28087245 0.00319178 0.00342923 -0.00238558 0.03880232 0.02230648 -0.00364518 0.00826951 0.00627883 -0.00091784 +H 9.50217401 7.56717480 5.65462099 -0.00062443 0.03225477 -0.01129298 -0.05565970 0.21974697 -0.02303723 -0.02400293 0.01786389 0.01826237 +H 8.95670072 7.42383146 7.33202392 0.03105575 -0.03168170 0.01665003 0.12386266 -0.14588621 -0.03616154 0.00357103 -0.00208999 -0.00914253 +H 8.88272237 6.03819252 6.20966706 0.02684018 0.00645591 -0.00332746 0.15002494 0.12565127 -0.08502566 0.01905575 -0.00351742 -0.02941015 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.07386252 5.65898820 6.00446996 0.00301961 0.00448190 0.00786229 0.01302254 0.02499015 0.05225631 0.00126960 0.00501899 0.00602104 +C 2.31366692 6.13893247 5.81471214 0.00317602 0.00164302 -0.00499975 0.02009072 0.01824886 -0.02078229 0.00054044 -0.00010626 -0.00153165 +H 1.07056632 4.74365753 6.35109937 0.00894911 -0.00376440 0.00698171 0.04978764 0.04386470 -0.00766053 0.00464680 -0.02063947 0.00413660 +C 2.61044597 7.48288603 6.15384928 -0.00105122 -0.01031457 -0.00155511 -0.01563428 -0.06601439 -0.02249892 -0.00467823 -0.00297667 -0.00368330 +H 3.05137860 4.32738101 5.10238964 -0.00218516 0.02373390 -0.00670197 0.02505670 -0.03130968 -0.03705616 0.01293457 -0.01619903 -0.00045093 +C 3.95761251 7.89542240 6.20649780 -0.00661450 -0.00185559 -0.00224031 -0.04930154 0.00373682 0.00678534 -0.00538794 0.00139314 0.00324090 +H 1.77618319 8.08896977 6.32440180 -0.01510928 -0.01373531 -0.03101366 -0.04024403 -0.00907392 -0.08578821 0.02051239 -0.00664430 0.00454400 +C 4.99607978 7.00018222 5.98017440 -0.00051642 0.00602346 0.00826343 -0.00505865 -0.00780118 0.01737908 -0.00146897 -0.00536502 -0.00224805 +H 4.15704546 8.88070102 6.59452577 -0.00469743 0.00603770 -0.00409404 -0.04970121 0.03841314 -0.11903707 -0.01138840 0.00722070 -0.02510135 +C 4.68062059 5.66383205 5.47267687 -0.00571072 0.00376719 0.00091546 -0.02366296 0.06177351 0.03787704 -0.00062672 0.00897702 0.00761105 +N 6.29103097 7.48075254 6.00374159 0.00176513 -0.00527646 -0.00423184 0.01471158 -0.05178204 -0.02624491 0.00229162 -0.00349123 -0.00296730 +C 3.34198693 5.28914354 5.46756971 0.00161298 0.00514772 -0.00580264 0.00103267 0.01908650 -0.05432171 -0.00179066 -0.00016616 -0.00928063 +H 5.45919973 4.96227533 5.27021137 -0.02194267 -0.00911631 0.00322864 -0.13038736 -0.05177232 -0.05662636 -0.01364659 0.01308075 -0.01008639 +C 7.45854826 6.80835065 5.94710255 0.00544220 -0.00087787 -0.00164122 0.02412445 -0.00270807 -0.01759151 0.00085098 -0.00170593 -0.00325241 +H 6.35409463 8.44580224 5.94300165 -0.00348831 -0.03804249 0.00234112 0.03581613 0.04765832 0.05720503 0.00792330 -0.01517504 0.01315556 +O 7.57435659 5.58791165 5.85277379 0.00578589 -0.00008392 0.00040732 0.04449704 0.00062456 0.00548014 0.00678038 0.00017334 0.00103679 +C 8.69220713 7.70192708 5.95793827 -0.00386207 0.00139629 0.00438874 -0.01933806 -0.01696002 0.01125710 -0.00025426 -0.00281672 0.00399179 +H 9.27920408 7.33682663 6.72927558 -0.02395428 0.01266931 -0.00776702 -0.00470584 0.08040476 0.19555456 -0.00495406 0.02054908 0.01373184 +H 9.35459949 7.52199604 5.09176523 -0.00620258 0.00324070 0.00086611 -0.09908613 0.03572236 -0.01920648 -0.00869132 0.00299527 -0.01372979 +H 8.48607098 8.74910185 6.03987003 -0.00600844 -0.03624720 -0.00446015 -0.09666168 0.04753560 0.02013196 -0.01424684 0.01387873 0.00440425 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94660990 5.82702649 5.93608335 -0.00330560 -0.00005114 -0.00219552 -0.02948060 -0.00460240 -0.01352571 -0.00541087 -0.00301458 -0.00139222 +C 2.25056594 6.11928780 5.89354221 -0.00211754 -0.01085956 0.00314992 0.01730391 -0.00932928 -0.00311736 0.00505742 0.00774634 -0.00413523 +H 0.91260926 4.90006854 6.02329043 -0.04478192 0.02150107 -0.00188013 -0.35434741 0.02428139 0.01988555 -0.03425570 0.02627416 0.00287764 +C 2.63901793 7.36719443 5.31907873 0.00348692 0.00474781 0.00223258 0.02009099 0.01354493 0.01744955 0.00073824 0.00051963 0.00226862 +H 3.00681371 4.29905436 6.66677891 -0.01754749 0.01237605 -0.00225570 -0.05948368 0.01228812 0.12098599 0.00429323 -0.00063077 0.03021795 +C 4.00799645 7.72617235 5.19285363 0.00601773 0.00288629 0.00112236 0.02458329 0.01407547 -0.00453901 0.00009002 -0.00112235 -0.00162338 +H 1.92559176 7.98398883 4.89254727 -0.00993319 0.01987305 0.00674860 -0.03085986 0.10105363 0.10877657 0.02191180 -0.01132468 0.03082050 +C 5.02291693 6.85981482 5.60709444 0.00024163 -0.00562861 -0.00402668 0.00459099 -0.03600748 -0.00197246 0.00159252 -0.00206244 0.00243714 +H 4.29875078 8.66822581 4.71167718 -0.00149390 -0.00091770 -0.01444936 -0.04194475 -0.00904377 -0.02640497 -0.00221648 0.01025636 0.00346523 +C 4.63236893 5.62358032 6.21398538 0.00149231 -0.00472427 -0.00350199 0.02384671 -0.02736292 -0.01753993 0.00298534 -0.00374454 -0.00092762 +N 6.30542463 7.40468099 5.69825274 -0.00258276 -0.00003129 -0.00111432 0.00384436 -0.00340118 -0.00081990 0.00410043 -0.00360811 0.00093355 +C 3.28544210 5.28064844 6.33797651 -0.00025598 0.00036841 0.00412130 -0.01594397 -0.01733232 0.01952194 -0.00251413 -0.00572801 0.00174184 +H 5.35682297 4.96253992 6.65586736 0.01131776 -0.00346008 0.01496089 0.02414071 0.00627546 0.00265962 -0.00145657 0.00066408 -0.01210857 +C 7.50905257 6.88690499 6.12046732 0.00288769 -0.00488278 -0.00302681 -0.00521358 -0.00701115 -0.03974376 -0.00204368 0.00427027 -0.00759932 +H 6.25057373 8.43044448 5.52766518 0.02175599 0.00596045 0.00051980 0.19586078 -0.06401075 -0.02378763 0.02157579 0.00727893 -0.01413601 +O 7.69673807 5.72198303 6.40822688 -0.00642164 0.00452112 0.00206902 -0.04532858 0.01280168 0.02062155 -0.00620560 -0.00114702 0.00377979 +C 8.70499097 7.77416388 6.09114835 0.00901459 0.01085594 0.00054236 0.06109799 0.06636395 -0.00347968 0.00606891 0.00407010 -0.00361553 +H 8.89745353 8.05685391 5.08907821 -0.01954914 0.00336392 -0.00690084 -0.06731161 0.04923334 -0.08177187 0.00090273 0.01536560 0.01087881 +H 8.58495241 8.79775986 6.58387729 -0.02011811 -0.03554866 0.01712274 -0.15400356 -0.17512775 0.22209628 -0.01677017 0.00552122 0.04571530 +H 9.58929996 7.30925450 6.47113200 0.02317305 -0.00742982 -0.00367860 0.06861500 0.00862134 -0.04544291 -0.00927304 0.01573099 -0.01212315 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00025619 5.70316874 5.87521009 -0.00030203 -0.00191787 0.00563265 -0.00446259 -0.00785930 0.03170257 -0.00041572 -0.00152494 0.00534966 +C 2.34381134 5.96001742 5.95989769 0.00356565 -0.00294080 -0.00247272 -0.02441363 -0.02071012 -0.01657003 -0.00641066 -0.00172034 -0.00208325 +H 0.58499103 6.03425461 5.07903367 -0.01346035 0.01962223 -0.00521322 -0.00546001 0.05223874 0.11265800 -0.00827232 0.01209249 0.00197347 +C 2.95106967 5.91170174 7.18914508 0.00439623 0.00105704 -0.00637424 0.03197158 -0.00128214 -0.01081716 0.00221124 -0.00208182 0.00260335 +H 2.42749240 6.58788452 3.86649875 -0.00927265 -0.01830366 0.00218253 0.05235369 -0.14750208 0.06569815 0.00756307 -0.01363827 -0.02334064 +C 4.33858178 6.15749230 7.28384303 -0.00091609 -0.00077368 -0.00428053 -0.00532586 -0.00226279 -0.01581483 0.00158295 0.00119036 0.00242365 +H 2.38061206 5.73207603 8.05559994 0.00102010 0.00081992 0.02237480 0.07363246 -0.02449927 0.01596886 0.02006803 -0.00594596 -0.02073920 +C 5.09731111 6.49186624 6.16960522 0.00279164 0.00698942 0.00553139 -0.01469999 0.05483455 0.00775142 -0.00658739 0.00837239 -0.00492500 +H 4.80124323 6.12032971 8.23418834 -0.01037123 0.01935995 -0.02062878 -0.00857246 0.08923133 0.04620070 -0.00337128 0.00195496 0.00726302 +C 4.37674294 6.62577793 4.99596502 0.00036058 -0.00070324 -0.00226475 -0.00001610 0.00616530 -0.04712612 0.00359663 0.00297909 -0.01018355 +N 6.40648939 6.82819530 6.31735040 -0.00314367 0.00269226 -0.00260983 0.01711638 0.00288531 0.02633739 0.00654944 -0.00103694 0.00867360 +C 2.96950018 6.39598994 4.84362555 0.00538405 0.00190215 -0.00156930 0.05910655 0.01152634 -0.01954516 0.00830258 -0.00084161 -0.00012433 +H 4.84638566 6.99775235 4.10349002 -0.00921925 -0.01835167 0.00714914 0.07722323 -0.08313300 -0.06908035 0.02120750 -0.00811597 -0.01622596 +C 7.44823444 7.24810749 5.60208931 0.00467801 0.00199172 0.00423601 0.01271884 0.02707439 0.03502883 -0.00291362 0.00501312 0.00296186 +H 6.73519016 6.59241215 7.25166946 -0.00592610 0.01163600 0.00866130 -0.06063229 0.09927433 0.03390388 -0.00195035 0.01017450 0.02096619 +O 7.28313019 7.67073277 4.49596791 -0.00647575 0.00078879 -0.00031040 -0.03312107 0.00752040 -0.01555596 -0.00238936 0.00100709 -0.00246663 +C 8.83359355 7.36942497 6.34655055 -0.00305232 -0.00807623 0.00412901 -0.01759048 -0.07107363 -0.00483912 -0.00460592 -0.00887176 -0.00413699 +H 9.16094703 8.37272028 6.67175035 -0.02210574 -0.01046984 0.00135956 -0.19528769 -0.05449252 0.03296220 -0.02440946 -0.00350519 0.00970744 +H 8.90311208 6.61665303 7.20113377 0.00861962 -0.00356167 -0.02541207 0.01352474 -0.03148692 -0.05143080 -0.00475630 -0.02413798 0.02996957 +H 9.64922067 7.00306054 5.63864546 0.00693381 -0.01364498 -0.00215960 -0.08559239 0.01475251 0.04797896 0.00491629 0.00561737 -0.01542475 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.06577892 5.65373596 5.63390632 0.00511995 -0.00366988 -0.00126678 0.02552192 -0.02091337 -0.00847687 0.00119249 -0.00023424 0.00007583 +C 2.31311057 6.15384796 5.88366929 -0.00144050 0.00017098 0.00175206 -0.01077239 -0.03445310 0.00793392 0.00146333 -0.00628153 0.00157823 +H 1.08685231 4.76737447 5.22442874 0.01291132 -0.01042724 -0.01594700 0.06537812 0.05076828 -0.05049599 0.00657096 -0.01577636 -0.01886731 +C 2.58565284 7.40170425 6.36195065 0.00275046 -0.00024498 0.00433262 0.02140729 0.04820218 0.02692219 0.00562844 0.00744149 0.00184740 +H 3.04430807 4.27050155 5.24051921 -0.01079813 0.00557757 0.01982743 0.04531773 -0.07963527 0.14821975 0.02315661 -0.02368872 0.01647769 +C 3.93651209 7.85765943 6.46158406 0.00789221 0.00299685 -0.00132235 0.02926003 0.04764284 -0.01543877 -0.00087056 0.01205405 -0.00266413 +H 1.76831178 8.17257487 6.45545086 -0.00992754 0.01237149 0.01192431 0.05409127 -0.08843125 0.13607568 -0.01005217 0.00033091 0.03027051 +C 4.98926596 7.01823321 6.08736551 -0.00618412 0.00905511 -0.00120474 -0.03252756 0.01935534 -0.00874869 -0.00143518 -0.00611126 -0.00197673 +H 4.18902364 8.84674136 6.65677698 0.02921117 0.02936903 -0.01383952 0.04987000 0.07238136 -0.02976812 -0.01735913 -0.02196919 0.00425523 +C 4.67708789 5.71260992 5.78288078 -0.00684977 -0.00323060 -0.00277825 -0.05190460 -0.05030262 -0.02488468 -0.00622309 -0.00438930 -0.00308318 +N 6.28841512 7.44405317 6.12059061 -0.00566119 0.00269329 0.00394772 -0.00162499 0.03183935 0.02890035 0.00526998 0.00743045 0.00413613 +C 3.32107144 5.24957863 5.64232088 0.00202636 -0.00585214 -0.00286003 0.02479089 -0.01806191 -0.01777165 0.00113551 -0.00072165 -0.00169745 +H 5.44794301 4.91664257 5.63742426 -0.00181471 -0.00368217 -0.00196221 -0.07105498 0.04010942 -0.05324922 0.00717477 -0.01247093 -0.01636930 +C 7.47528714 6.87399164 5.78909493 0.00423948 0.00313798 0.00294360 -0.00553630 -0.01264807 0.01184897 -0.00620017 -0.00542901 0.00095888 +H 6.38654398 8.32476363 6.55530332 0.00747201 -0.00286036 -0.02383484 0.04897171 0.13669900 -0.11866794 -0.00055046 0.01028909 -0.01784550 +O 7.52718512 5.71974500 5.36417429 -0.00306522 -0.00102600 -0.00166839 -0.01258124 0.00119750 -0.01173046 -0.00070480 0.00109715 -0.00163938 +C 8.79213182 7.60578751 5.96402836 -0.00305690 -0.00606583 0.00209473 -0.00244882 0.00013096 0.01400541 0.00136372 0.00188969 0.00377230 +H 9.41974681 7.20365366 6.74474625 0.00899581 -0.00196592 -0.02453209 0.03294659 -0.11703897 -0.03684912 -0.00951559 -0.01827439 0.00682767 +H 9.47214953 7.67951711 5.06883367 0.01988318 -0.00491981 0.00876247 -0.06104456 -0.09587703 0.06009128 -0.01709116 -0.01727667 -0.01893137 +H 8.62076461 8.65416807 6.28867714 -0.00245835 0.01403378 -0.00391103 -0.01685448 -0.04687752 -0.06313841 -0.00208300 0.00032775 -0.00340645 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98564165 5.69586683 5.71749156 0.00429088 0.00188499 0.00579103 0.02358168 0.01062106 0.04033451 0.00142127 0.00244575 0.00594253 +C 2.27281148 6.09164096 5.89751302 0.00255912 -0.00409644 0.00283035 0.04480729 -0.01114812 -0.00100654 0.00714551 -0.00032304 -0.00282188 +H 0.34279720 6.27146406 6.01757226 -0.00299898 0.01583918 -0.03842362 0.02065400 0.12016538 -0.24500926 0.03057980 -0.00161195 -0.03623742 +C 2.63155796 7.44751781 6.14881386 0.00363337 -0.00318447 -0.00010523 0.00315376 -0.03336976 0.01356689 0.00043288 -0.00364729 0.00314928 +H 3.03785764 4.29354341 5.14782625 -0.01181643 -0.00136852 -0.02885381 0.02591774 -0.05043677 -0.10598702 0.01705703 -0.00466487 0.00532295 +C 3.97272494 7.83658312 6.26156637 0.00503202 0.00141246 -0.00289779 0.00511139 0.03566960 -0.01636213 -0.00479560 0.00713303 -0.00160436 +H 1.77262689 8.07039044 6.38055155 0.00339710 0.01945390 -0.01803015 0.15073244 0.14537381 -0.15906394 0.02384117 0.01368404 -0.02104000 +C 5.01814460 6.92629555 6.07204830 -0.00759622 0.00256844 0.00857366 -0.00010093 0.01831656 0.05549884 0.00511158 0.00089825 0.00598044 +H 4.14843169 8.86554376 6.48475456 -0.02281860 0.02767906 -0.01133057 -0.06574696 0.05096306 -0.08282999 0.00808376 -0.00983973 -0.01136170 +C 4.69751434 5.59347583 5.74521944 -0.00238612 0.00280821 -0.00672334 -0.02281923 0.01304481 -0.04914632 -0.00614047 0.00183317 -0.00632173 +N 6.36380269 7.45703856 6.17329559 0.00172278 0.00103508 0.00172879 -0.05892210 -0.00660254 0.01395720 -0.01340425 -0.00149681 0.00231827 +C 3.34384145 5.23624690 5.53825461 -0.00265615 -0.00693060 -0.00453041 -0.02579650 -0.04985513 -0.02425339 -0.00267009 -0.00661418 -0.00283023 +H 5.51560367 4.87692507 5.59483929 -0.00343379 -0.01411726 -0.00403394 -0.15823610 -0.05971551 -0.07617113 -0.01387008 -0.00865341 -0.02021511 +C 7.48211995 6.86306566 5.88523850 -0.00524583 -0.00264958 0.00539250 0.00610183 -0.01735007 0.03688049 0.00436054 -0.00115395 0.00493999 +H 6.30209981 8.42326497 6.47326510 -0.01206275 -0.01422192 -0.01673821 0.09328057 0.04613553 -0.09737398 0.02666544 0.01013374 -0.01224645 +O 7.57503833 5.67073363 5.62506185 -0.00124180 0.00018503 0.00047266 -0.00118830 -0.00204793 0.00157110 0.00074785 -0.00119614 0.00010009 +C 8.74060349 7.73159428 5.91025365 0.00539612 0.00423479 -0.00102273 0.00914291 -0.00191018 -0.02058015 -0.00169044 -0.00223549 -0.00434738 +H 8.38318319 8.64789785 5.47193314 0.00375556 -0.01502590 0.02211542 0.09418762 0.13061922 0.07640009 0.02309293 0.02342479 0.00444394 +H 9.10635447 7.81000594 6.93000046 -0.00814377 0.00587727 -0.02738330 0.05241966 0.08235303 0.00339491 0.01824717 0.00766255 0.00870514 +H 9.47126321 7.25665891 5.29792083 -0.00315556 -0.00180046 -0.01883858 0.01657782 0.04551527 -0.10806266 -0.00276171 0.01979781 0.00045085 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97427394 5.73877820 5.87188970 0.00187448 0.00006850 -0.00063665 -0.00972031 -0.01414547 -0.01124527 -0.00307735 -0.00334607 -0.00225153 +C 2.23986384 6.10106731 5.87911565 -0.00046954 -0.00408325 0.00301919 0.04116066 -0.01622380 0.02147422 0.00869463 0.00065307 0.00276969 +H 0.83872427 4.90296176 5.50685645 -0.00103843 -0.01638707 -0.01031701 0.00013509 -0.00450084 -0.01233928 -0.00085876 0.00559991 0.00248623 +C 2.60126652 7.41494882 6.28012950 -0.00976653 0.00306417 -0.00260222 -0.02654808 0.01435002 -0.02469757 0.00063689 0.00158021 -0.00357892 +H 3.04376333 4.20606354 5.12464291 -0.01613257 0.00463749 0.00602483 -0.04131430 -0.02137420 0.08775208 0.01064223 0.00365218 0.01772960 +C 3.94916682 7.89450342 6.34094632 0.00331252 0.00296536 0.00665652 -0.01466106 -0.01766133 0.03781506 -0.00586896 -0.00279657 0.00390216 +H 1.83504326 8.14777255 6.50379934 0.02038814 -0.03209589 -0.02174898 -0.14758140 -0.00743887 -0.06824487 -0.03354713 0.01177682 -0.00353460 +C 4.94483468 6.92545827 6.11015017 -0.00061447 0.00202081 0.00303184 0.03852684 0.02453794 0.00700575 0.00792632 0.00278350 -0.00101276 +H 4.15974813 8.86967012 6.60563084 -0.00314527 0.00219674 -0.02252434 0.00668351 0.10296153 -0.07814503 -0.00644774 -0.02241391 -0.00433244 +C 4.57275805 5.63673092 5.64642046 -0.00119034 -0.00095393 0.00036252 0.02779142 -0.00208319 0.02418968 0.01055068 -0.00021354 0.00611515 +N 6.33916184 7.38171535 6.21555261 -0.00013559 0.00243807 0.00327038 -0.02336522 -0.01397816 0.00713648 -0.00374958 -0.00390912 -0.00057233 +C 3.26487357 5.16833307 5.53076511 0.00775092 0.00147858 -0.00613802 0.01617136 0.03667067 -0.03800068 -0.00243408 0.00647903 -0.00413151 +H 5.36970313 4.95014627 5.53371307 -0.00891947 0.00504093 0.02615335 0.02511808 -0.07784474 0.03336833 -0.00021082 -0.00933083 -0.01298530 +C 7.54724926 6.82314118 5.81911905 -0.00125537 0.00088219 0.00507277 -0.00964115 0.03139860 0.04081041 -0.00138245 0.00420296 0.00379836 +H 6.34694290 8.36296547 6.52598539 -0.00393397 -0.01170642 -0.02862575 0.07673690 0.01428187 -0.09442252 0.01678040 0.00960757 0.00280838 +O 7.75308438 5.80544252 5.16194643 -0.00331909 0.00143844 -0.00138670 -0.03714172 0.01199270 0.00025922 -0.00730599 0.00307359 0.00231883 +C 8.77502419 7.71909332 6.16612252 0.00706384 -0.00275016 -0.00715340 0.02577906 -0.03511342 -0.04836966 0.00092505 -0.00826889 -0.00566122 +H 8.93925610 8.08801063 7.19145416 -0.00098648 -0.01903474 -0.00377343 -0.09868592 -0.13884940 -0.02103607 -0.02255612 -0.01103931 0.00118534 +H 9.63984685 7.12263498 5.89182119 -0.00509953 0.00696655 0.01405040 0.11268888 0.00081728 0.03689725 0.02093259 -0.00154447 -0.00464094 +H 8.74699942 8.60779361 5.48498069 -0.01388505 -0.02867863 0.00062999 -0.03994583 -0.06712608 -0.04964862 0.00520226 0.01967308 -0.01805770 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01656448 5.70438683 5.67109552 -0.00270934 -0.00493528 0.00134911 -0.01669201 -0.03216921 0.00197042 -0.00329716 -0.00263394 0.00161972 +C 2.34356432 6.01129840 5.75596777 -0.00242943 0.00081185 0.00167897 -0.01348459 -0.00246494 0.02266003 -0.00063052 -0.00085902 0.00474969 +H 0.42636311 6.00585966 6.30232145 0.00588458 0.00022286 -0.00799175 0.02624952 0.09118536 0.02727035 0.02344678 0.00740743 -0.01524393 +C 3.24889745 5.02469866 5.30377397 -0.00152788 -0.00300780 0.00112834 -0.03037331 -0.01738662 -0.00918511 -0.00680533 -0.00157586 -0.00392127 +H 2.13876028 7.97341245 6.74156431 0.02806605 0.03514508 0.01693770 0.22584161 0.07070718 0.06523292 0.01551019 0.00012380 0.00604780 +C 4.61689491 5.14044347 5.45357619 0.00143337 0.00383645 -0.00804730 -0.00454821 0.01221241 -0.06410369 -0.00202805 0.00063845 -0.00761787 +H 2.91327801 4.21316702 4.70462589 -0.01308849 -0.00308617 -0.01953867 -0.10520504 -0.02547354 0.03509186 -0.01169335 -0.00220318 0.03098538 +C 5.12890096 6.31824629 5.92075748 0.00238106 -0.00143059 0.01028176 0.01836262 -0.00145125 0.08215992 0.00198198 -0.00140762 0.00972678 +H 5.17451694 4.33785410 4.99605016 0.00024819 -0.01518512 0.02148927 0.07883658 -0.02613749 0.14517024 0.01485339 0.01007011 0.01116664 +C 4.26479724 7.31383505 6.49419390 -0.00152912 0.00076922 -0.00621893 -0.01900713 0.00557092 -0.05259582 -0.00124776 0.00050393 -0.00813254 +N 6.50529246 6.38530172 5.89765037 0.00241764 0.00196989 -0.00514543 0.02565743 -0.00581698 -0.04320397 0.00334791 -0.00252659 -0.00549326 +C 2.81638369 7.17618135 6.39168969 0.00463246 0.00561300 0.00085606 0.05188025 0.03566304 0.00329776 0.00812676 0.00144401 -0.00139191 +H 4.69510304 8.24117866 6.92885747 -0.00156253 -0.00398463 -0.01908811 -0.03720318 -0.01391334 -0.10081681 -0.00113866 0.01729558 -0.00230899 +C 7.31321186 7.42530338 5.96151635 -0.00261375 -0.00398696 0.00791616 0.02359130 -0.00501602 0.05876739 0.00820999 0.00268849 0.00758778 +H 7.03008847 5.58932160 5.58510602 -0.00021364 -0.01906443 -0.01370955 -0.10209590 -0.06379927 -0.00901538 -0.01431461 -0.00649206 0.00516041 +O 6.95996114 8.56100093 6.15575862 0.00011812 0.00034014 -0.00286321 -0.01213091 0.01245679 -0.01852394 -0.00322772 0.00264281 -0.00215013 +C 8.85488033 7.25009832 5.91172977 0.00039456 -0.00142743 0.00140512 -0.00806257 -0.01454091 0.01552523 -0.00353724 -0.00117914 0.00482557 +H 9.33431669 7.04456674 4.90507894 -0.00079335 0.04428520 0.00564609 -0.08869116 0.31649831 0.01694729 -0.01252514 0.03529295 -0.01821208 +H 9.29162869 8.14646520 6.35290880 -0.01736490 -0.00622025 0.01412323 -0.06279777 -0.01032019 0.07057767 -0.00011877 -0.00339722 0.01012396 +H 9.24520498 6.47262253 6.57680414 -0.00247626 -0.00058532 -0.00957981 -0.05274344 -0.09501661 -0.06090850 -0.00547406 -0.02614651 -0.01239081 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04625857 5.66255263 5.82017100 -0.00027523 -0.00205775 -0.00251643 -0.00878855 0.00827572 -0.01107676 -0.00380436 0.00172629 -0.00182879 +C 2.30795559 6.20727234 5.94189945 -0.00364660 -0.00074351 0.00317739 -0.03569073 -0.03640358 0.02276599 -0.00054504 -0.00676185 0.00368683 +H 1.10380765 4.83784568 5.42352482 -0.02434371 0.01614681 -0.02055574 -0.17065596 0.05035403 -0.15126406 -0.01790611 0.03328680 -0.00254484 +C 2.61932750 7.49878414 6.26216471 0.00092840 0.00696103 0.00732293 0.00723918 0.06619727 0.01977128 0.00188087 0.00466948 -0.00284600 +H 3.01413749 4.24240191 5.56299029 -0.01765222 -0.01060116 0.00189821 -0.05971191 -0.05887607 0.05449743 0.01592820 0.00587193 0.01489908 +C 3.96984685 7.90451914 6.09481680 0.00518468 -0.00000468 -0.00746159 0.01747164 0.00055021 -0.02850710 -0.00082250 -0.00042174 -0.00032103 +H 1.84387249 8.28781657 6.37476942 -0.01076521 0.01755933 0.00798360 0.03257806 -0.02164385 0.11398857 -0.00119070 0.00426487 0.02603143 +C 4.98034915 6.93700923 5.87077552 0.00143133 -0.00019552 -0.00403168 0.01380694 0.00161839 -0.01722410 0.00194683 0.00130869 -0.00109128 +H 4.21763404 8.95747606 6.28948318 -0.00196421 -0.00021885 0.01660045 0.01012668 -0.04837671 0.03337550 0.01091458 0.00355284 -0.00617688 +C 4.63570128 5.55940175 5.73387375 0.00059137 0.00350234 -0.00284576 0.01871681 0.02064100 -0.00450878 0.00312282 0.00422108 0.00124374 +N 6.27660010 7.41346394 6.06078701 -0.00342414 -0.00051729 -0.00298569 0.00293411 0.00599278 -0.02464395 0.00319470 0.00115581 -0.00400567 +C 3.25272899 5.25312688 5.73872241 0.00788627 -0.00678756 0.00513244 0.06793134 -0.05896591 0.02470634 0.00577897 -0.00862160 0.00219231 +H 5.39560159 4.74115785 5.77688101 0.02278690 -0.01291338 0.01324384 -0.02624819 0.11395734 -0.04167062 0.00419873 0.00901393 -0.02274284 +C 7.51287123 6.83631216 5.84503324 -0.00196270 0.00180805 0.00254124 -0.03948114 0.00106446 0.01071367 -0.00575207 -0.00348728 -0.00041465 +H 6.31235566 8.37649454 6.32799267 0.00528710 0.02313347 0.01210788 0.02741197 -0.04829147 0.03458505 0.00192379 -0.01584878 0.00259490 +O 7.66731554 5.70104098 5.40801753 -0.00280498 -0.00603896 -0.00391473 -0.01936061 -0.02927756 -0.02161576 -0.00306653 -0.00089192 -0.00163767 +C 8.70184678 7.69849519 6.18295609 0.00339239 0.00266435 0.00222776 0.00766025 0.01870210 0.03372846 -0.00338907 0.00474745 0.00456588 +H 8.47639762 8.44615530 6.92158711 -0.01106829 -0.00904603 0.01537681 -0.08494246 -0.05160759 0.09201140 -0.00784701 -0.00612612 0.00181140 +H 9.52516018 7.04118748 6.62308039 -0.01848706 0.03207355 0.00404164 -0.00048003 0.11283359 0.05531312 0.03454661 -0.01529073 0.01873919 +H 9.10294242 8.23089971 5.35765923 -0.01182080 -0.00628086 0.02062578 -0.00905871 0.04200139 -0.06166097 -0.00236906 0.00375408 -0.00552782 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.07530433 5.68936457 5.75725631 -0.00193571 0.00698414 0.00504717 -0.05842111 0.03154699 0.02768065 -0.01244107 0.00331766 0.00359716 +C 2.28456539 6.07184516 5.89427691 -0.00353758 0.00014970 -0.00070133 0.02707089 0.04818255 0.00825086 0.00753754 0.00684225 0.00065540 +H 0.97662872 4.98761184 5.16782221 -0.02563258 -0.00880212 -0.00145611 -0.13419768 0.01794235 0.07648187 -0.01196984 0.00626158 0.01726070 +C 2.59907067 7.40974748 6.35296137 -0.00464912 -0.00417138 -0.00782023 -0.01431598 -0.05189289 -0.05590394 0.00091712 -0.00436699 -0.00494565 +H 3.06818698 4.22513331 5.29912957 -0.00811224 0.02579977 0.00973188 0.00822887 0.01172813 -0.02811092 0.01063932 -0.02129843 -0.01680774 +C 3.94896197 7.81740844 6.44815905 0.00171442 -0.00696707 -0.00249475 -0.02557240 -0.02513484 -0.02506292 -0.00651196 -0.00245302 -0.00551429 +H 1.77538057 8.08233536 6.55218690 0.02282163 -0.02393951 0.01543412 0.02046637 -0.03314698 0.13837887 -0.00623993 -0.00083424 0.01040635 +C 4.98126949 6.99270757 6.04597090 0.00610892 -0.00050674 0.00074408 0.04666389 -0.01446801 0.00664597 0.00378921 -0.00325715 0.00160820 +H 4.02727598 8.88031396 6.71037814 -0.00868477 -0.00335627 -0.01270074 0.07931359 -0.06840637 -0.02010266 0.02356943 -0.00118099 0.01177608 +C 4.65830699 5.66773343 5.62327289 0.01003115 0.00026336 0.00234514 0.06562681 0.00275415 0.01375533 0.00680302 -0.00142845 0.00033766 +N 6.29751406 7.51093115 6.12123470 -0.00864850 -0.00079241 0.00290298 -0.01633320 -0.02607400 0.01676347 0.00508517 -0.00591382 0.00121115 +C 3.32860984 5.25322002 5.57079180 0.00377092 0.00173696 0.00137308 0.03106615 -0.00063934 0.00852770 0.00550790 -0.00032819 0.00139578 +H 5.42160861 4.96298325 5.36926158 0.00188473 -0.00558514 -0.02521117 -0.01611760 -0.02473993 -0.14141795 -0.00254630 0.00513618 -0.00759768 +C 7.47711400 6.87416619 5.84466777 0.00219286 -0.00227352 -0.00320138 -0.01768030 0.00958775 -0.02324516 -0.00642445 0.00596395 -0.00225424 +H 6.47780117 8.42468253 6.57980195 0.00471122 -0.01200877 -0.02154844 -0.08626023 0.03452903 -0.13400619 -0.02481731 0.02596643 -0.01063128 +O 7.53201250 5.73865889 5.38694973 0.00167582 0.00682336 -0.00050321 0.01682452 0.03479667 -0.00761129 0.00296586 0.00214049 -0.00215640 +C 8.79498677 7.61824918 6.00433999 -0.00397622 -0.00267059 0.00261119 -0.01610496 -0.00088795 0.03029930 -0.00238644 -0.00074076 0.00129803 +H 8.92111527 8.14621383 7.03343367 -0.00940355 0.00973718 0.01119745 -0.08126429 -0.11652553 -0.06686231 -0.00646111 -0.00954975 0.02614798 +H 9.60903187 6.90544247 5.78553601 -0.01273332 -0.00431052 -0.00497358 -0.05104496 -0.02775486 0.09597914 0.00476957 -0.00800774 0.03140931 +H 9.01007419 8.43197995 5.29205733 0.02056995 -0.01362260 0.00219329 -0.00483212 -0.09707112 -0.03412835 -0.01722093 -0.00370757 -0.01325791 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03662046 5.64459025 5.79542564 -0.00129254 0.00333837 0.00079636 -0.01211789 0.02613059 0.00661027 -0.00265237 0.00552592 -0.00145516 +C 2.33184030 5.97799629 5.93275765 -0.00391742 -0.00465203 0.00190089 0.00154911 -0.00087718 -0.00407045 0.00423345 0.00375038 -0.00277770 +H 0.78845476 6.00695704 4.99078829 0.02220011 0.01883487 0.01621371 -0.01057947 0.12653675 0.01162117 -0.01550011 -0.00232507 0.02383842 +C 3.02703255 5.63346629 7.11424036 -0.00162741 0.00231528 -0.00725056 -0.03910616 -0.01649586 -0.00126864 -0.00488565 -0.00508530 0.00428514 +H 2.56068871 7.18268959 4.03067009 0.00934865 -0.00361621 0.01730816 -0.04457794 -0.03370408 0.03415429 -0.00980830 -0.01083606 -0.00046400 +C 4.37898457 5.83421472 7.32646239 0.00314677 -0.00331110 0.00495835 0.00839903 0.01024141 -0.00707989 -0.00243065 0.00498642 -0.00641107 +H 2.45213121 5.21385179 7.94090244 -0.02229778 -0.01792566 0.02991917 0.01847222 -0.04994610 -0.09532351 0.00346336 -0.01290578 -0.02293721 +C 5.03355397 6.55601305 6.28560339 -0.00285639 0.00303047 -0.00309804 0.00152352 -0.00426299 -0.02698681 0.00427360 -0.00437696 -0.00287164 +H 4.82558618 5.55864796 8.27295766 -0.00708474 -0.00968407 -0.00731421 0.03282888 -0.07280928 -0.01499566 0.01137667 -0.00446500 -0.00807917 +C 4.36751829 6.85785820 5.05027401 -0.00166362 -0.00147513 -0.00172601 0.01736421 0.02486656 0.01136103 0.00801939 0.00897144 0.00347212 +N 6.40420106 6.78268943 6.41614075 -0.00112271 0.00013431 -0.00165789 0.00588869 -0.00784498 0.00112516 0.00244368 -0.00116453 0.00062403 +C 2.98156310 6.77186385 4.93819740 0.01235258 -0.00233618 -0.00407676 0.05962090 -0.05926819 -0.00535607 0.00166566 -0.01349308 0.00148238 +H 4.87201378 7.40936847 4.30539754 0.01448279 0.01741532 0.01713017 0.05517971 0.05917926 0.03435600 -0.00994463 -0.00664206 -0.00093566 +C 7.38032845 7.26404418 5.61365164 0.00283481 -0.00033854 0.00632525 0.02843554 0.01244213 0.01937283 0.00297321 0.00283597 -0.00043529 +H 6.81205379 6.33351360 7.25404360 -0.00505616 0.01304217 0.00503192 -0.06704687 0.14986226 0.06063540 -0.00427578 0.01849961 0.02941761 +O 7.23473027 7.66880495 4.45110629 -0.00575588 -0.00110282 0.00253196 -0.04135979 -0.01271551 0.02926192 -0.00536499 -0.00229161 0.00554067 +C 8.83635745 7.39755105 6.18433374 -0.00005613 0.00039242 -0.00068557 0.00073313 0.00020504 -0.00213444 -0.00105929 0.00175923 -0.00236222 +H 9.57364780 6.60640115 5.92949832 0.01640086 -0.00675817 -0.02198906 -0.08845498 0.05652403 -0.13657410 -0.02244470 0.00366295 -0.01680314 +H 9.30721835 8.36360748 6.02542763 -0.00338978 0.00854297 -0.02681375 -0.09714095 -0.02288632 -0.24101015 -0.02063712 -0.01640739 -0.03298217 +H 8.78526479 7.39359728 7.30795865 0.00500370 0.01876001 -0.01575421 0.03267676 0.07832570 -0.04527766 0.00866665 0.00403387 0.02237390 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03442416 5.60125003 6.02176810 -0.00011546 -0.00183780 -0.00203471 0.00552347 0.00863206 -0.01294927 0.00028066 0.00251374 -0.00222006 +C 2.30678894 6.14659550 5.84253668 -0.00130779 -0.00668943 0.00010733 -0.02433989 -0.03819488 0.00834413 -0.00349987 0.00019881 0.00307094 +H 0.82542359 4.82150870 5.50430477 0.00913157 0.01279298 0.01418556 0.06286181 -0.04924268 0.01879975 0.01084341 -0.00742555 0.00353182 +C 2.62258997 7.42640543 6.32734895 0.00461419 0.00867240 -0.00327360 0.05304372 0.03500137 -0.03038558 0.00722552 -0.00429575 -0.00604462 +H 3.01269425 4.27800550 5.02009923 -0.00428911 0.00314663 0.01233518 0.02176464 -0.02075947 -0.02377546 0.00342738 -0.01502416 -0.01921335 +C 4.01104503 7.84814226 6.40093349 0.00944214 -0.00960151 0.00217703 0.00591049 -0.04021931 0.01252463 -0.00627519 -0.00148099 0.00067218 +H 1.82607375 8.15952202 6.62783029 0.00913812 -0.02188038 -0.00644477 0.01433523 -0.08799853 0.02496032 -0.01040244 0.01443440 0.01545159 +C 4.99356557 6.95726160 6.00858264 0.00116057 0.00467430 -0.00012038 0.01856581 0.01497304 -0.01091534 0.00350776 -0.00127568 -0.00285513 +H 4.25824840 8.87290261 6.71813922 -0.00906609 0.00585594 -0.01987359 -0.03960807 -0.05584809 -0.07082666 0.00433446 -0.00196368 0.00930655 +C 4.59676628 5.71876533 5.44908578 -0.00365793 0.00415467 0.00009932 0.00723373 0.00995128 -0.01022199 0.00394315 -0.00219215 -0.00347603 +N 6.30428791 7.41357305 6.13474433 -0.00314895 0.00182597 0.00508457 -0.00117296 0.02732677 0.04285835 0.00207537 0.00427718 0.00657227 +C 3.29830775 5.30655837 5.29547477 -0.00792721 -0.00546755 -0.00272672 -0.06147443 -0.02476516 0.00984726 -0.00504433 -0.00119234 0.00516756 +H 5.31255259 5.00007797 5.16169650 0.00894806 -0.00051610 -0.00569473 0.05378384 0.04654334 -0.04142911 -0.00262937 0.01671552 -0.00399517 +C 7.51032943 6.88140017 5.88560523 0.00021241 -0.00025972 0.00305269 -0.03197420 -0.01142140 0.02155150 -0.00701890 0.00081187 0.00373663 +H 6.43035673 8.34412813 6.54803442 -0.00354256 -0.00921552 0.02722395 -0.08192267 -0.04539137 0.14504199 -0.01215038 0.01165227 0.01951233 +O 7.58248887 5.70870123 5.53701016 -0.00190376 0.00952672 0.00270807 -0.00489950 0.04996903 0.01238213 0.00013113 0.00274867 0.00028723 +C 8.74592700 7.69091479 6.02903415 0.00586063 -0.00274583 -0.00852577 0.03385530 -0.02190508 -0.05561784 0.00383860 -0.00380499 -0.00527252 +H 8.66800791 8.48928806 6.70359401 0.00305393 -0.00674659 0.00990299 0.05012265 -0.02133826 0.03888285 0.01179037 -0.01627744 -0.02232910 +H 9.56838748 7.04350141 6.21182810 -0.01825166 -0.01194082 0.00011236 -0.00556718 -0.11515441 0.10330898 -0.00231318 -0.00083657 0.01249083 +H 8.99101601 8.03590377 5.03040895 -0.01937240 -0.03236848 -0.00334448 -0.07915467 -0.04815195 -0.12766333 0.00132303 0.01342378 -0.01581504 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01025661 5.72798731 5.72503398 -0.00192427 -0.00238951 0.00749367 -0.01571783 -0.03049102 0.05688592 -0.00262996 -0.00368814 0.00777392 +C 2.33008896 5.88095755 5.87011279 0.00458879 0.00352580 -0.00315077 0.03732722 0.02966262 -0.02700728 0.00316256 0.00359097 -0.00400499 +H 0.58472178 6.53301604 5.58040718 -0.01251259 -0.03079511 -0.02394786 -0.12273084 -0.12957440 -0.18363326 0.00313948 -0.04053611 -0.01487346 +C 3.18791270 4.86534387 6.35715225 0.00356278 -0.00522169 -0.00044812 0.01690848 -0.00916642 -0.00291079 0.00191487 0.00309521 0.00009617 +H 2.12451037 7.90988176 5.07746117 0.00701791 0.00867939 -0.02442459 0.14636263 0.00333358 -0.12340946 0.00633370 0.01843041 -0.02041133 +C 4.56713056 5.09635147 6.46705278 0.00537057 0.01106265 -0.00614180 0.03172045 0.07403567 -0.04369404 0.00154784 0.00674443 -0.00560436 +H 2.75616595 3.94665929 6.66117131 -0.00272500 0.00784052 0.02447840 0.01703343 -0.01423337 0.11515461 0.01593920 0.00548204 -0.00224554 +C 5.10030286 6.40441677 6.12280230 -0.00597306 0.00266166 -0.00039079 -0.03168044 0.00507903 -0.02984889 -0.00060786 0.00063604 -0.00799613 +H 5.18027126 4.26123312 6.76359953 0.02659393 0.00963023 -0.01429110 0.13649584 0.16745194 -0.06746087 0.00977776 0.03067853 -0.00172403 +C 4.25957833 7.39132624 5.53983544 -0.00062802 -0.00100503 -0.00162758 -0.02657478 -0.01328453 0.01341036 -0.00668567 -0.00103548 0.00435209 +N 6.47764498 6.49580679 6.00203059 -0.00466381 -0.00241301 0.00290659 -0.01688727 -0.02493138 0.02530315 0.00023422 -0.00551286 0.00424545 +C 2.84748371 7.12301329 5.44187383 -0.00130008 0.00713149 -0.00323834 0.01171413 0.05177169 -0.02127159 0.00578774 0.00385504 -0.00192246 +H 4.74357707 8.35998478 5.34804025 -0.00458505 -0.01179806 0.01426719 -0.11428975 -0.00263671 -0.05769146 -0.01703581 0.01326239 -0.02810752 +C 7.37152279 7.49213777 5.81520638 -0.00342872 -0.00660220 -0.00253446 -0.01804858 -0.02774643 0.00085677 -0.00071889 -0.00215274 0.00319226 +H 6.91136849 5.62110982 6.09207991 -0.00282161 -0.00184446 0.01254751 0.00247245 -0.03986668 0.10148707 -0.00654336 0.00853605 0.01292665 +O 7.03307855 8.68574407 5.74323338 0.00039209 -0.00599109 0.00232845 0.00700634 -0.04838608 0.01133882 0.00095500 -0.00695859 0.00074627 +C 8.88104659 7.10962425 5.91535258 0.00285614 0.00223928 0.00098664 0.00383308 0.02470223 -0.01196343 -0.00387865 0.00184128 -0.00024732 +H 9.02468450 6.11422408 5.48729612 -0.00545751 0.00191451 0.00547738 0.02286986 0.02152555 0.01132372 0.01573158 0.00726739 -0.01137106 +H 9.59942810 7.79857504 5.35763090 0.01509250 0.03425121 0.02706583 -0.08899564 0.11194611 0.22434350 -0.01142650 0.02165696 0.01250932 +H 9.15360704 7.12794127 6.96052463 0.00836802 -0.01567087 -0.02031207 0.07344110 -0.12882193 0.00423472 0.00119442 -0.01668586 0.00366373 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01123551 5.57448022 5.79058181 -0.00200427 0.00104944 -0.00000850 -0.02311686 0.00692205 0.00925936 -0.00397450 0.00086163 0.00299639 +C 2.28146806 6.01098285 5.98662611 -0.00306371 -0.00171399 -0.00206237 -0.01494126 -0.02596735 -0.03143380 -0.00070399 -0.00566735 -0.00425040 +H 0.57367336 5.71964602 4.92820308 0.01532589 -0.00183485 -0.00037430 0.13771213 0.01113914 -0.03964380 0.01179280 0.00450669 -0.02186426 +C 2.98500627 5.67029612 7.12512654 -0.00452136 0.00572163 0.00030578 0.00089417 0.04707131 0.02985019 0.00411776 0.00572937 0.01003094 +H 2.35464980 6.84970145 3.98833481 -0.01767398 -0.01896099 0.00545222 0.03003417 -0.14538685 0.03313191 -0.00491412 -0.00737843 -0.04223896 +C 4.35091946 6.00337109 7.32276858 0.01155077 -0.00067714 0.00123743 0.05106389 -0.01473491 0.00187974 0.00012277 -0.00362069 -0.00249676 +H 2.43668351 5.22241775 7.88132461 0.02526688 0.00399968 -0.00019179 0.06242473 -0.03977128 0.13952635 0.00891466 0.00853752 0.00196357 +C 5.05190132 6.51724874 6.20827629 -0.00142626 -0.00559670 0.00015545 0.00697651 -0.01840716 -0.02404304 0.00410630 0.00141418 -0.00740638 +H 4.86082212 5.86423912 8.28065524 0.00965342 -0.01366288 0.01709097 0.00792203 -0.12022389 -0.03469630 0.00401684 -0.01887209 -0.01273828 +C 4.34332594 6.79885842 5.02365672 -0.00769549 0.00026837 -0.00548906 -0.03402904 0.01345792 -0.02909927 -0.00187833 0.00229247 -0.00124924 +N 6.43581787 6.69553391 6.26662041 0.00303296 0.00788194 -0.00025607 0.02446719 0.03887786 0.01858426 0.00283386 0.00165714 0.00658918 +C 2.97516257 6.55143520 4.90967596 -0.00320751 -0.00399747 -0.00240315 -0.04064543 -0.01796967 -0.02403934 -0.00483354 -0.00226437 -0.00106258 +H 4.84570342 7.35124795 4.21995971 0.00224515 -0.00123590 0.00556612 0.00849638 -0.07752056 -0.03308905 0.00182750 -0.01313336 -0.02267024 +C 7.41845233 7.32754914 5.59847966 -0.00083575 0.00376151 -0.00285824 0.03133280 0.00804835 0.02123401 0.00851550 0.00053784 0.00667731 +H 6.90368746 6.26634402 7.01675577 -0.00064926 0.00200366 0.00536247 -0.08027876 -0.01937816 0.06903820 -0.02138935 0.00298626 0.00049697 +O 7.30117610 8.11051402 4.72965681 -0.00206365 0.00147869 0.00250674 -0.02905833 0.02807967 -0.01290526 -0.00553136 0.00542869 -0.00491085 +C 8.87714125 7.13338658 6.16024552 0.00822168 -0.00483274 0.00255765 0.00730749 -0.02342997 0.00470904 -0.00510813 -0.00413872 0.00136352 +H 9.08367319 6.11285477 6.45273585 -0.00359900 0.00531176 0.00077769 0.00336002 -0.05608263 0.00046824 -0.00090094 -0.00974432 -0.00854964 +H 9.56112798 7.49172102 5.33566944 0.00261313 -0.00862319 0.02006171 0.11822123 -0.06440529 0.14941673 0.03683570 -0.00119941 0.00710889 +H 8.90068723 7.83926163 7.00331106 0.00088709 -0.03244734 0.01211765 0.10540048 -0.20367322 0.12248446 0.02362075 -0.02044513 0.01817446 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94473140 5.92705119 5.97623967 -0.00490800 0.00101738 0.00348463 -0.03996032 0.01390424 0.00725071 -0.00484437 0.00160648 0.00087713 +C 2.30167552 5.98951750 5.93701296 -0.00598053 0.00142066 0.00795681 -0.01665500 0.01724133 0.04921722 0.00055648 0.00344734 0.00430113 +H 0.54272511 6.44752220 5.29093687 -0.01946090 0.00400450 -0.01832592 -0.05441639 -0.08325702 -0.00150957 -0.01134533 -0.00731212 -0.01212971 +C 2.97779287 5.59456863 7.11650996 -0.00141340 -0.00119856 -0.00473100 0.02240686 0.00755150 -0.01948363 0.00833045 0.00385446 -0.00177920 +H 2.67975049 6.68837773 3.86728486 0.01582642 -0.00755677 0.00797948 -0.03321307 0.01708060 0.04690847 -0.02308934 0.00491683 0.00850464 +C 4.39592095 5.86187190 7.23708373 0.00365306 0.00099667 -0.00729002 0.00010509 -0.00647189 -0.03342047 -0.00321706 -0.00247930 -0.00495654 +H 2.39609518 5.21730458 8.00540279 0.00759902 0.00195894 -0.00530157 0.07163011 0.00959283 -0.07242842 -0.00359636 -0.01169808 0.01186929 +C 5.12975306 6.34582267 6.14733193 0.00481292 0.00469274 0.00353931 0.02495820 0.04566346 -0.01483913 -0.00007659 0.00806838 -0.00817277 +H 4.90841786 5.74871520 8.22503013 0.00600642 -0.01873419 -0.00967753 -0.01432986 -0.16821803 -0.13057602 0.00426006 -0.02969154 0.00109782 +C 4.43024952 6.58544300 4.94277844 -0.00707355 0.00302465 -0.00647837 0.01470842 0.02955216 -0.03256323 0.01052928 0.00412768 -0.00140823 +N 6.51488964 6.61865416 6.27980789 -0.00212611 0.00317508 0.00139742 -0.01393309 0.02284291 0.00202816 -0.00149801 0.00257911 -0.00060077 +C 3.07333738 6.52323152 4.85763859 0.00913445 -0.00926594 0.00222746 0.00025241 -0.08933188 0.01923251 -0.00875689 -0.01433127 0.00234777 +H 4.93244393 6.92970703 4.05437874 -0.00034917 -0.01096403 -0.02213814 0.00150383 -0.07038053 -0.06154040 0.00253425 -0.00266247 0.00094146 +C 7.41044596 7.36541240 5.57845034 0.00125956 -0.00161797 -0.00823899 -0.00341911 -0.02868737 -0.00569262 -0.00055250 -0.00579570 0.00803706 +H 6.95037527 6.27306285 7.13236020 -0.01543614 -0.01184147 -0.00955948 -0.09222546 -0.09712074 -0.01783333 -0.00555694 -0.01091244 0.00333331 +O 7.16543536 7.98359141 4.52734660 0.00307746 -0.00052110 0.00453391 0.02808841 -0.00344774 0.02928581 0.00459312 -0.00022491 0.00305931 +C 8.72199482 7.44464811 6.40733585 -0.00162430 -0.00103579 0.00327836 0.00651206 0.00746748 0.02151090 0.00152721 0.00444639 -0.00071871 +H 9.49959755 6.68550888 6.16912600 0.01257853 0.01034745 -0.01900919 -0.05513542 0.06907866 -0.11938589 -0.01196555 -0.00528263 -0.01084473 +H 9.21881633 8.38678863 6.24940236 0.01479445 -0.00079563 0.00966660 0.02026172 0.00567839 -0.01019121 -0.01223191 -0.00083905 -0.00985752 +H 8.62452235 7.43297071 7.51373623 0.00405439 0.01713496 0.03569294 -0.04434175 0.03690677 -0.05042767 -0.01358654 -0.01022867 -0.01904998 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00122336 5.66570491 6.03213653 -0.00597355 0.00094660 0.00327276 -0.02771617 0.02034846 0.02097101 -0.00248714 0.00303363 0.00201288 +C 2.30109411 6.10900786 5.94430746 0.00038475 -0.00067572 -0.00149109 -0.03256891 0.00007208 -0.01530557 -0.00638180 0.00086827 -0.00304102 +H 0.97547650 4.75281289 5.76765960 -0.00320847 0.02594885 -0.00053552 -0.09648083 0.01023861 -0.02805149 -0.02061585 0.00543393 0.00179094 +C 2.59037430 7.45270626 5.93231737 0.00278758 -0.00081667 0.00055153 0.03832145 0.02291421 0.01159412 0.00613474 0.00559258 0.00176173 +H 3.02030843 4.21279580 5.56728181 0.00767547 0.01769120 -0.00680015 0.07928115 -0.08936892 -0.07167955 0.01621811 -0.01658756 -0.00630222 +C 3.96017751 7.89009062 5.98684630 0.00551674 -0.00057179 0.00020738 0.01567346 -0.00610870 -0.01393872 0.00017160 0.00027150 -0.00299258 +H 1.78934167 8.17557737 5.93615345 0.00768057 0.00672617 -0.02618751 0.05793220 0.03463674 -0.10627739 0.00902476 0.00398783 0.00157630 +C 5.03480659 6.99233403 5.87519518 0.00005890 -0.00479455 0.00404812 -0.00509811 -0.00264290 0.02815855 0.00058030 0.00183138 0.00288186 +H 4.15918211 8.95071897 5.88098859 0.01869344 -0.01811806 0.00705019 0.10539453 -0.00526112 0.15019584 0.00417213 0.00856038 0.02893956 +C 4.64240675 5.68055975 5.63512636 0.00964589 -0.00238130 -0.00298411 0.05598297 -0.05229544 -0.01565273 0.00535245 -0.00998183 0.00018517 +N 6.31712128 7.52955205 5.98467496 0.00375625 0.00378324 -0.00234175 0.03108752 0.00087213 -0.00729081 0.00289161 -0.00248550 0.00017998 +C 3.29996572 5.23757724 5.67301658 -0.00188168 -0.00434059 -0.00164210 0.02433643 -0.03052644 -0.00805984 0.00781662 -0.00585342 -0.00126785 +H 5.34658090 4.88584245 5.41830222 0.01447747 0.00244982 0.02891126 0.15153035 0.00593734 0.17589738 0.01793819 -0.00515764 0.01363376 +C 7.47424584 6.81274579 5.98993699 -0.00013255 -0.00055100 -0.00050452 0.00308436 0.02793360 -0.01467588 0.00003312 0.00547867 -0.00386597 +H 6.44411383 8.47271589 6.27407091 0.01752430 0.01921139 -0.01524555 0.02180069 0.04067679 -0.16810204 -0.01005360 -0.01120155 -0.03000576 +O 7.63549035 5.64837957 5.71303062 -0.00535888 0.00137245 -0.00162064 -0.04246038 -0.00472066 -0.00918232 -0.00610505 -0.00160370 -0.00075214 +C 8.74505612 7.65857038 6.14635556 -0.00903667 -0.00357218 0.00558418 -0.07224274 0.00748100 0.01951012 -0.00794463 0.00878118 -0.00080663 +H 9.57073010 7.13191348 5.66560404 -0.02641086 0.01765488 -0.01008773 -0.04311787 0.06793569 -0.03446081 0.00384666 0.00274087 0.00348854 +H 8.58330699 8.51855070 5.61427901 0.00251306 0.04447266 -0.00006304 0.02755905 0.11645478 0.07194266 0.00125056 -0.03624916 0.03272634 +H 8.92817852 7.96727343 7.17850782 0.00123067 0.00553658 -0.01563893 0.05040563 -0.04613941 0.02446917 0.00575004 -0.02295526 0.01678178 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.05295204 5.76203393 5.94355387 -0.00436176 0.00038066 -0.00198582 -0.03887581 -0.00989441 -0.01670361 -0.00509224 -0.00330229 -0.00277500 +C 2.32756545 6.09287122 5.92201822 0.00413535 -0.00044528 0.00182345 0.02758077 -0.00304301 0.01045903 0.00012792 -0.00009943 0.00114159 +H 0.99336147 4.87307156 5.74696009 -0.00673251 -0.01432389 0.01094989 -0.10692274 -0.02979866 0.08110428 -0.02032589 0.01562858 0.01359694 +C 2.67690099 7.36119600 6.36087478 -0.00104616 0.00447849 0.00065722 -0.01764129 0.05396723 0.01727980 0.00191919 0.00536297 0.00263810 +H 2.92578426 4.35256774 4.90402896 -0.01075533 -0.01902276 -0.02788271 0.10388684 -0.07401782 -0.01767907 0.03425011 0.00148877 0.02281461 +C 3.99943121 7.81205656 6.41847880 0.00764302 0.00030554 0.00542154 0.01764128 0.00475793 0.03804584 -0.00326119 0.00006596 0.00425421 +H 1.80681998 8.06096563 6.62875679 -0.01156039 0.01289909 0.01043620 0.10909987 -0.02151976 0.06775045 -0.00864076 0.02040922 0.02349105 +C 4.96915049 6.95222524 6.00186143 -0.00193683 0.00248863 -0.00462514 0.00919074 -0.02047164 -0.06255919 0.00413211 -0.00389018 -0.01018530 +H 4.28856635 8.81157399 6.74645270 -0.00337625 -0.00310517 -0.00212259 -0.05503886 0.02136383 0.03176530 -0.00442466 0.00892515 0.01278129 +C 4.59157660 5.64659833 5.42547161 -0.00677451 0.00460907 0.00270232 -0.00135383 0.03846044 0.02141031 0.00528384 0.00296913 0.00065602 +N 6.25048824 7.49142031 5.94633032 0.00009187 -0.00444073 -0.00147358 0.02467161 -0.04184464 -0.00474383 0.00610515 -0.00649167 0.00014471 +C 3.28447974 5.20522135 5.41999878 0.00545211 -0.00614547 -0.00247784 -0.00003088 -0.02910269 -0.02342837 -0.00365029 -0.00085312 -0.00324011 +H 5.29706775 4.95578117 5.01999055 -0.00539694 0.00360589 -0.01964214 -0.00382397 0.12096883 -0.09944304 0.00383673 0.02881776 -0.00322111 +C 7.48323970 6.83824802 5.86063039 0.00160538 0.00247532 0.00225806 0.00460097 0.04696785 0.00666066 0.00005654 0.00332828 -0.00202315 +H 6.20384449 8.50609742 6.02657149 0.01004660 -0.00429395 0.00739789 0.16042643 -0.07337089 0.09778518 0.02490863 -0.00747933 0.02011235 +O 7.60826167 5.69817812 5.48855795 0.00109428 -0.00599712 0.00158163 0.01174042 -0.03896065 0.01765983 0.00216899 -0.00216912 0.00424230 +C 8.77461333 7.74707949 6.18639000 -0.00237642 0.00509476 -0.00292057 -0.05546920 0.00964500 -0.01253398 -0.00853440 -0.00058621 -0.00144299 +H 8.85945249 7.71025641 7.27019642 0.00895153 0.00752281 0.00564184 0.06500958 0.12586055 -0.03444401 0.00275492 0.02335704 -0.01269869 +H 9.66617693 7.36692953 5.75820030 -0.00600305 0.02719886 0.01287312 0.05531400 0.06055483 -0.00608412 -0.01174637 -0.00197517 -0.00457864 +H 8.63370600 8.76099743 5.79604114 -0.00444737 -0.01287693 -0.00458881 -0.05562161 0.02121334 -0.01441661 -0.01226707 0.01283993 0.00012985 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.05260935 5.53878779 5.65400446 0.00329340 -0.00200643 -0.00006811 0.01720008 -0.00555762 -0.00818062 0.00225059 -0.00020615 -0.00122932 +C 2.32514449 5.96992788 5.90126178 -0.00023784 0.00153572 -0.00451088 0.01706231 0.01391628 -0.01695459 0.00449129 0.00315945 -0.00131869 +H 0.70330788 5.86600755 4.85613499 -0.01669293 0.00761322 -0.01187883 -0.04331605 -0.00424219 0.04391468 -0.00243198 -0.00069650 0.00766532 +C 2.98534026 5.60282807 7.10655559 0.00259784 0.00655664 -0.00261724 0.01169125 0.04228167 -0.03183108 0.00132413 0.00469827 -0.00585679 +H 2.51448456 7.25157902 4.10315907 0.02514843 -0.02627837 -0.01953191 0.19186843 -0.22535034 -0.09074730 0.00774729 -0.01749829 -0.03725985 +C 4.37530592 5.83194436 7.22434066 0.00273550 -0.00242810 -0.00148699 0.00104313 -0.01690883 0.02497789 -0.00248561 -0.00056835 0.00533716 +H 2.41664273 5.15823835 7.94105016 0.00780350 0.00343619 -0.00280919 0.06931090 -0.03911846 -0.08931495 0.00012683 -0.01800202 -0.00964590 +C 5.11959977 6.58843910 6.32538248 -0.00009042 -0.00385094 0.00359562 0.00671086 -0.02114273 0.00989248 0.00216211 -0.00206818 0.00072833 +H 4.77885078 5.47221241 8.20424560 -0.02031466 0.01171649 0.00168410 0.00629947 0.04465319 -0.01705294 0.02938353 -0.01069605 0.01828295 +C 4.41422873 7.11998281 5.23204064 -0.00866707 0.00286946 0.00954568 -0.07398959 0.01874835 0.04968691 -0.00685900 0.00406502 0.00362614 +N 6.48336208 6.77957022 6.48784513 0.00883415 -0.00256970 0.00895215 0.05049915 -0.01422513 0.07427684 0.00335308 -0.00105653 0.00923853 +C 3.03955480 6.78582952 5.00326812 0.00366647 0.00371821 -0.00150373 0.01341420 0.02134722 -0.01263370 -0.00066968 -0.00058179 0.00055681 +H 4.78885377 7.75265575 4.47465640 -0.01692044 -0.00758639 -0.00266196 -0.00326838 -0.01229902 0.01772567 0.00543869 -0.00483236 0.02019945 +C 7.36269152 7.31742407 5.65650929 -0.00166388 -0.00132549 -0.00447866 0.00271719 -0.03230494 -0.03235805 0.00216815 -0.00807173 -0.00357232 +H 6.90608475 6.47177373 7.35118385 0.00804707 -0.00124116 0.01780005 0.00945987 -0.00091997 0.08828880 0.00110628 -0.00018971 0.01253028 +O 7.06061644 7.54356510 4.49886211 -0.00283949 0.00051795 -0.00355805 -0.01078957 0.01346272 -0.03173083 -0.00050782 0.00294272 -0.00507527 +C 8.83880024 7.37595669 6.09069428 -0.00157168 -0.00553419 -0.00287587 -0.02164030 -0.00221658 -0.02959098 -0.00566010 0.00385128 -0.00411508 +H 9.05649394 7.26174773 7.15038847 -0.04503507 0.01311860 -0.01161206 -0.29395704 0.02807213 0.02996148 -0.02745250 -0.00549863 0.00290458 +H 9.45223367 6.66582154 5.53936538 -0.01082481 0.00766328 0.00896366 -0.01126892 -0.08080468 0.01976440 0.00447822 -0.01554512 0.00412359 +H 9.29636532 8.31264533 5.80041158 -0.02267346 0.03252566 0.00482232 -0.21634033 0.07956475 0.06125648 -0.02677387 -0.00922443 0.00787312 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00724079 5.74365581 5.88959385 0.00278000 -0.00649812 -0.00081232 0.04107928 -0.04375190 -0.01247628 0.00802067 -0.00540170 -0.00244486 +C 2.34734896 6.12425012 5.80593060 0.00211555 0.00464475 -0.00228720 -0.01466724 0.01726107 -0.00414758 -0.00390375 -0.00213398 0.00055341 +H 0.43576042 6.40594211 6.31283496 0.02732238 -0.00611877 -0.00602357 0.10218517 0.01035551 -0.02386498 -0.00204055 0.00523416 -0.00144767 +C 2.63897493 7.49843882 6.06006948 -0.00447607 0.00147967 -0.00234139 0.00666913 -0.00412241 -0.00337892 0.00828713 -0.00289378 0.00097802 +H 3.08008392 4.08083860 5.48308419 -0.00686375 0.00510721 0.01469681 -0.02862244 0.00137337 0.15467008 -0.00438909 -0.02337645 0.02188633 +C 4.01691721 7.80175063 6.21717066 0.00271829 0.00862426 0.00442255 -0.01218576 0.06944706 0.02155495 -0.00698125 0.01186081 0.00277424 +H 1.83844454 8.26113827 6.30561446 0.01402372 0.00355914 0.01605438 0.09349821 -0.02238939 0.01055442 -0.01507302 0.01102472 -0.00584781 +C 5.04914925 6.86287575 6.01863591 -0.00595586 0.00599433 0.00209498 -0.05461969 0.00772878 0.03386754 -0.00661278 -0.00234199 0.00709780 +H 4.29366498 8.77621080 6.46164723 -0.03139689 0.01451185 0.02411583 -0.14741450 0.12282492 0.16337857 -0.00779446 -0.01058732 0.00834729 +C 4.68140699 5.49022560 5.85492528 -0.00611141 0.00042337 -0.00256166 -0.00455634 0.02513545 -0.02259815 0.00162905 0.00619820 -0.00368754 +N 6.30930879 7.16969795 6.44199816 -0.00330959 -0.00191119 -0.00319135 0.00115238 -0.00897994 -0.03740333 0.00226745 -0.00018600 -0.00764412 +C 3.35451674 5.13594391 5.71653188 0.00375894 -0.00526811 0.00304474 -0.01000772 -0.01955918 0.00991320 -0.00634612 0.00319498 0.00056531 +H 5.50444070 4.76349173 5.82022381 0.00361595 -0.00197012 0.00469218 -0.08921545 -0.00665166 0.01198986 -0.00887616 -0.00890886 -0.00219549 +C 7.44971051 6.87663302 5.79152689 0.00847042 -0.00111303 -0.00464075 0.02825266 0.00815417 -0.01205009 -0.00167557 0.00253683 0.00101508 +H 6.44017511 7.79069931 7.26884308 -0.01515496 0.01025666 -0.03678912 -0.10776659 0.13627679 -0.17801237 -0.00642089 0.03100863 -0.00584812 +O 7.51770699 6.26825460 4.75233569 -0.00248846 -0.00094465 0.00161322 -0.01415905 -0.02006536 -0.00442588 -0.00112457 -0.00459457 -0.00265565 +C 8.68861806 7.51927583 6.34484081 0.00164194 -0.00516377 0.00168670 0.02332035 -0.01812776 0.01676014 0.00598225 -0.00263613 0.00229439 +H 8.62850757 7.54937733 7.46677444 0.01517179 -0.01130414 0.00075604 0.12836578 -0.07116303 -0.04088549 0.01329859 -0.00920990 0.01379325 +H 9.60212521 7.04653084 5.97591288 0.00172339 0.02028989 0.01391467 0.06548478 -0.00268210 0.08469056 0.01064903 -0.01800859 0.00421892 +H 8.78071079 8.56089231 5.91175776 0.00716080 -0.00428865 0.00715247 -0.00946153 -0.05401254 0.12981317 -0.00567582 0.01981235 0.01615866 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98145219 5.74969825 5.95660887 0.00193081 -0.00047265 -0.00354255 0.00883505 0.00091218 -0.01704781 0.00080039 -0.00175396 -0.00246092 +C 2.28304316 6.09935716 5.94438342 -0.00039527 0.00119319 0.00159840 0.01716168 0.02847199 0.00904344 0.00448856 0.00612430 0.00088918 +H 0.77583462 4.93184464 5.55294706 0.02106056 0.00993737 0.02006810 0.11625983 -0.09272935 0.05094777 0.01551041 0.00412977 0.01156858 +C 2.68469986 7.28886862 6.62178511 -0.00247246 -0.00184013 0.00070764 -0.00557610 -0.00543788 0.01874503 0.00177977 0.00089148 0.00373705 +H 3.04245480 4.35527585 4.78403866 0.00210738 -0.01267617 0.01829072 -0.02165977 0.12034449 0.10656404 -0.01559174 0.00640176 -0.00710352 +C 4.04165833 7.72488058 6.53421334 -0.00334934 -0.00492822 -0.00042532 -0.02421177 -0.02337077 -0.01441084 -0.00407798 -0.00402599 -0.00461724 +H 2.02899907 7.80984735 7.29166530 0.00205751 0.04073127 0.02360577 0.04708729 0.12185496 -0.09301108 -0.00007400 -0.00507828 -0.03985565 +C 5.01485379 6.96560877 5.79231051 0.00504006 0.00180289 0.00133729 0.00725188 0.01284464 0.03475037 -0.00433664 -0.00236899 0.00612125 +H 4.29930623 8.69911915 7.03127989 -0.01404573 0.02582384 -0.01398195 -0.08828423 -0.05969665 -0.13656373 0.00030724 -0.00067919 -0.00353208 +C 4.63240643 5.75104345 5.23366229 0.00515443 -0.00862931 -0.00511103 0.03983944 -0.04285274 -0.04375695 0.00548498 0.00173425 -0.00378236 +N 6.32024541 7.47154079 5.84227052 -0.00719369 -0.00024066 0.00466968 -0.03629349 0.00443799 0.02655317 -0.00307776 0.00009946 0.00292380 +C 3.25971917 5.35774725 5.22926132 0.00417784 0.01146061 0.00163289 0.03354317 0.04361200 0.01676843 0.00530824 0.00284030 0.00399776 +H 5.36828298 5.12221591 4.70224392 0.03115658 -0.00102322 -0.01088370 0.06128417 0.02759501 0.01532252 0.00068758 -0.01020275 -0.00006885 +C 7.50779257 6.80995516 5.83676847 -0.00697766 -0.00528303 0.00354959 -0.06136539 0.03058397 0.03941023 -0.00692396 0.00899532 0.00753017 +H 6.38646917 8.48025280 5.99578306 0.00115549 0.02561577 0.00528947 -0.01530429 -0.05624484 0.00016755 -0.00454363 -0.00140842 0.00089256 +O 7.64522223 5.65062112 5.86127673 -0.00057815 -0.00083119 -0.00203035 -0.00179812 -0.04157919 -0.01879621 -0.00073843 -0.00810100 -0.00319206 +C 8.65543625 7.76482865 6.03854013 0.00359208 0.00166401 -0.00244220 0.01489162 -0.00567942 -0.03368428 -0.00228171 -0.00290797 -0.00559337 +H 8.34802652 8.46504412 6.84507363 0.00946917 -0.00546941 -0.02041531 0.14671915 0.01612617 -0.02860348 0.02550332 0.01408689 0.01195210 +H 9.55205319 7.12781397 6.26797948 0.00631048 -0.00066380 0.00353388 0.02552107 0.13086096 -0.01339773 0.02070104 0.01774459 -0.00890148 +H 8.78039216 8.36089208 5.09700556 -0.03761294 -0.00390146 -0.01203868 -0.13558686 -0.07915467 -0.02160838 0.00594174 -0.00439920 -0.01454719 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.06907649 5.69387641 5.73752574 -0.00276284 -0.00294139 -0.00321570 -0.03281121 -0.02043745 -0.02069984 -0.00378331 -0.00244025 -0.00229490 +C 2.30792000 6.09135711 5.86381843 -0.00021586 0.00239010 0.00346657 0.03748510 0.00566656 0.02551976 0.00425087 0.00101878 0.00364777 +H 1.02006379 4.72853155 5.62102689 0.03045545 0.01034148 0.00810723 0.13802481 -0.01766437 0.03228117 0.00154364 -0.01608904 -0.00012117 +C 2.64069221 7.40839666 6.20245620 0.00442473 0.00129611 0.00247276 -0.01240413 0.02867536 0.02072145 -0.00173672 0.00231968 0.00245277 +H 3.21295974 4.16129194 5.50034338 0.02300832 0.02254654 -0.00337183 0.06655528 -0.08776204 -0.07222712 -0.00640914 0.01457039 -0.00248058 +C 3.93629032 7.94747434 6.27526962 0.00044230 0.00075676 -0.00055714 0.00092045 -0.01689850 -0.01167319 0.00093548 -0.00126365 -0.00242848 +H 1.69336403 8.05905413 6.38922573 0.00642210 -0.00353768 0.02043884 0.17248584 0.01871685 0.08774260 -0.01761613 0.04613183 0.01464362 +C 4.97518183 7.04225741 6.09553015 0.00431535 0.00458572 -0.00173117 0.02747456 -0.00159039 -0.01032432 0.00178015 -0.00633294 -0.00144718 +H 4.10838539 8.97120264 6.43629851 0.00039934 -0.02300851 -0.02394706 0.01733763 0.07150500 -0.05738344 -0.00220610 0.00080556 0.00448479 +C 4.63764028 5.67178653 5.87084697 -0.00080907 -0.00126317 -0.00174214 0.03625482 -0.00920056 -0.01805772 0.00849899 0.00090329 -0.00291898 +N 6.31054970 7.45980495 6.23395728 -0.00233098 -0.00134796 0.00481521 -0.00466591 -0.02346859 0.01206645 0.00188735 -0.00410160 -0.00119995 +C 3.37805675 5.15482667 5.71135188 -0.00230099 -0.00097844 -0.00224617 -0.03220966 0.03459765 -0.00848436 -0.00192652 0.00367527 -0.00163747 +H 5.37918152 4.88292604 5.73578097 0.01875736 0.00852341 -0.00175878 0.11455831 0.11355152 0.02208238 0.01443209 0.00432024 0.00467226 +C 7.42380216 6.83597935 5.74420100 -0.00267246 -0.00091449 -0.00086642 0.01890246 0.02979635 0.01770823 0.00567789 0.00561170 0.00418612 +H 6.51743775 8.35695679 6.68350889 -0.00379689 -0.00414791 -0.01442074 -0.07424862 0.01143880 -0.04954155 -0.01357221 0.00884990 0.00287007 +O 7.52064118 5.83992234 5.05563913 -0.00267717 -0.00476070 0.00130460 -0.02587905 -0.03285274 0.00834488 -0.00405986 -0.00276407 0.00210032 +C 8.78540193 7.54448274 6.20793814 -0.00422553 0.00680824 -0.00023886 -0.04227238 0.01207308 0.00135642 -0.00477773 -0.00119954 -0.00163685 +H 9.52367995 6.79545185 6.50075011 0.02383855 0.00610213 -0.00401442 0.00162559 0.07043894 -0.08192719 -0.01799590 0.00197189 -0.01740880 +H 9.29750182 8.18646466 5.52680549 0.01679065 -0.00972605 -0.00689598 -0.03500128 -0.00224739 -0.06288814 -0.03656455 -0.00076280 0.00088558 +H 8.48205761 8.03866229 7.17050950 0.01527013 -0.01721524 0.00647333 0.18809430 0.00353613 0.01050319 0.02529086 0.02340832 0.00962301 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.93455089 5.78490598 5.79300920 -0.00273377 0.00092464 0.01145868 0.00152565 0.00638316 0.07961787 0.00133360 0.00116504 0.01096006 +C 2.27580169 6.10829164 5.92829268 -0.00160797 0.00711114 -0.00377567 -0.02141571 0.00288361 -0.05121451 -0.00275524 -0.00523388 -0.01011207 +H 0.46970638 6.60567190 5.96116415 0.00842623 -0.01670739 0.00367001 -0.11588863 -0.03748076 0.05218146 -0.02420606 -0.00981743 0.00893917 +C 2.64075177 7.35660802 6.42975914 -0.00226666 -0.01263535 -0.00870751 -0.01950375 -0.03137234 -0.04868506 0.00045482 0.00264950 -0.00576549 +H 3.04078134 4.28690741 4.96528332 -0.00545754 0.01106320 0.02220855 -0.09955551 -0.02311664 0.08770688 -0.00416913 0.01330201 0.01321189 +C 3.99051388 7.74953706 6.49442235 0.00386439 -0.00440023 -0.00016885 -0.00077061 -0.03523603 -0.00573008 -0.00431720 -0.00422630 -0.00165893 +H 1.84163488 8.06266434 6.68826163 -0.02324966 0.02650937 -0.02158706 0.07385050 -0.03316985 -0.12600877 0.01164495 -0.01005783 -0.00290345 +C 4.98644868 6.85752091 6.05925984 0.00291949 0.00907634 -0.00696775 0.03559855 0.03574521 -0.05789446 0.00583235 -0.00002037 -0.00905314 +H 4.21445848 8.73907081 6.83989301 -0.00818222 -0.00411721 -0.00366344 -0.01752015 -0.01483147 0.00548243 0.00104915 -0.00968368 0.00273523 +C 4.61192775 5.57947652 5.51350651 0.00531833 -0.00139156 -0.00460328 0.04165810 0.03269579 -0.02064571 0.00861034 0.00890343 -0.00193860 +N 6.30168946 7.39034481 6.11081469 0.00281874 -0.00522886 0.00484550 0.01563528 -0.02516900 0.02876056 0.00115093 -0.00056455 0.00400356 +C 3.24888271 5.21379812 5.41229165 0.00592005 0.00587533 -0.00386790 0.03904085 0.05354642 -0.00810957 0.00251499 0.00535305 0.00016271 +H 5.36973966 4.96489666 5.07994335 0.00143125 0.01482522 0.02504942 0.09536490 -0.07270348 0.11457692 0.00231742 -0.01650481 0.01312823 +C 7.54476396 6.88705575 5.80182498 0.00123970 0.00236694 0.00570481 -0.00965610 -0.01114960 0.03615922 -0.00348234 -0.00592129 0.00395324 +H 6.27504305 8.35355171 6.30289414 -0.02950556 0.00635364 0.02069056 -0.03697048 -0.06123675 0.17248785 0.02383706 -0.02805492 0.02529356 +O 7.72195864 5.73745306 5.34817002 -0.00261206 -0.00304114 -0.00145761 -0.01814191 0.00032000 -0.00182300 -0.00240204 0.00323748 0.00102520 +C 8.76818793 7.78820639 6.10834191 -0.00773073 -0.00167997 -0.00004646 -0.03564815 0.00456958 0.00392417 -0.00327522 0.00185197 -0.00154295 +H 9.60348555 7.24302992 6.58063836 0.00824125 -0.02051592 0.00583518 -0.11590324 -0.05555192 -0.04989943 -0.02106993 -0.00236905 -0.01060010 +H 9.16804417 8.26942285 5.24293500 -0.00470511 0.01594233 -0.01161738 -0.08898080 -0.03153593 -0.05561289 -0.02029067 -0.02683505 0.00389296 +H 8.53717207 8.66034533 6.76139373 0.00744760 0.02139200 0.00064417 0.00290140 -0.04285499 -0.02181168 -0.01083603 -0.01200132 0.00971326 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99215150 5.72889992 5.79258432 -0.00479271 0.00378146 0.00688934 -0.02631784 0.02441955 0.05218005 -0.00079714 0.00573849 0.00800777 +C 2.28566355 6.14139980 5.93938595 0.00875919 0.00142380 -0.00620480 0.04430384 -0.03835235 -0.06353359 0.00110018 -0.00833540 -0.00959183 +H 0.85273224 4.78276525 5.71176041 -0.01853857 -0.01501768 -0.00677880 -0.06128845 0.08551953 -0.04120793 -0.00708224 -0.00334366 -0.01069955 +C 2.63491878 7.41295043 6.26209571 0.00809227 -0.00391153 0.00017806 0.05935680 0.00958330 -0.00082983 0.00822675 0.00311424 -0.00201341 +H 3.07962660 4.19867087 5.29788754 -0.00178715 -0.01425772 -0.01280713 0.01114023 0.04140862 -0.10262587 0.00462941 0.01317921 -0.01501485 +C 3.98638310 7.81976530 6.31890089 0.00668109 -0.00313722 -0.00494838 0.03342062 -0.01079878 -0.03506889 0.00185423 0.00239953 -0.00306672 +H 1.85701261 8.16660119 6.39879636 0.02101051 0.01123620 -0.01561942 0.10638084 0.03156994 -0.03203872 -0.00025865 0.00369081 0.01059948 +C 5.04677812 6.94605553 6.01174380 -0.00219940 -0.00205420 0.00173838 -0.02389132 -0.02040472 0.02169212 -0.00271274 -0.00406571 0.00360230 +H 4.23001383 8.85547227 6.45221141 -0.01297874 -0.00764858 0.01013327 -0.06439127 -0.00973519 0.14871508 0.00030431 -0.00633823 0.02238838 +C 4.67563884 5.63694400 5.57342974 0.00205992 0.00309894 0.00244976 -0.00698294 0.01614192 0.01728085 -0.00232860 -0.00061616 0.00150437 +N 6.32588719 7.42583329 6.28378252 -0.00454785 -0.00611221 -0.00672091 -0.02370010 -0.03963141 -0.04999204 -0.00313152 -0.00459921 -0.00709400 +C 3.30913741 5.23244221 5.53236118 0.00266850 -0.00335207 0.00095093 0.02614315 -0.02252624 0.01575378 0.00502780 -0.00330833 0.00233146 +H 5.36947626 4.86295003 5.28788063 -0.01562471 0.02522282 -0.00863097 0.06880714 0.07665154 -0.05923439 0.01799385 0.00434672 -0.00224572 +C 7.46830940 6.82952031 5.92778500 -0.00528468 -0.00089181 -0.00765247 -0.00927367 0.01958534 -0.06038029 0.00229665 0.00815456 -0.00774890 +H 6.49964573 8.32825056 6.66391889 -0.01379917 0.00748990 0.01812024 -0.18701248 -0.08276133 0.04676150 -0.02748666 -0.02464617 -0.00422769 +O 7.57757339 5.72559802 5.38039168 -0.00679841 0.00479688 0.00389048 -0.04384128 0.02439944 0.02655613 -0.00486505 0.00095922 0.00275039 +C 8.71806112 7.73277563 5.97372808 0.00436544 0.00469403 0.00565000 -0.00200143 0.02616608 0.06107091 -0.00101418 -0.00132674 0.00569421 +H 8.43317617 8.73558972 6.48236943 -0.00212214 -0.01604902 0.01248979 -0.01559968 -0.07044688 0.00851719 -0.01237724 0.03712002 0.01336835 +H 9.46557464 7.39151023 6.66292358 -0.00881336 0.00637163 0.00820623 0.03535942 -0.08351131 0.02636054 0.00196547 -0.01964837 -0.00829168 +H 9.05728804 7.93290550 5.02493779 0.00023565 0.00064345 0.01058296 0.10680995 0.03268848 -0.02580252 0.00734555 0.00071563 0.03262556 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04671749 5.81569175 5.97648759 0.00114396 -0.00163573 0.00078099 -0.01198499 -0.02422784 -0.00700501 -0.00431158 -0.00272096 -0.00136888 +C 2.33440713 6.15372522 5.83268606 -0.00308359 0.00712477 0.00234513 -0.03543198 0.01353634 0.01324023 -0.00671695 -0.00448604 0.00127356 +H 0.79919278 5.00653890 5.51784204 -0.00617404 -0.01792228 -0.00751199 0.01933376 -0.00505207 0.03250246 0.00145145 -0.02207188 -0.00451166 +C 2.61876510 7.44854312 6.22791182 -0.00647749 -0.00488552 0.00130983 -0.01302875 -0.01615332 -0.00181681 0.00317992 0.00229478 -0.00097557 +H 2.90308527 4.16662701 5.30155239 0.00984469 0.00672788 -0.02195157 0.17208715 0.04327869 -0.15592619 0.02541607 0.00090675 -0.01553466 +C 3.95097668 7.75678261 6.33480311 0.00007175 -0.00406754 -0.00245812 0.00821202 -0.00459835 -0.01700907 0.00118398 0.00329104 -0.00203166 +H 1.89912632 8.25301490 6.30254719 0.02389647 0.01278459 -0.01110495 0.00515022 0.00147170 0.06734981 -0.02032201 -0.01663500 0.02772433 +C 5.00821906 6.87145650 5.98541360 -0.00194596 -0.00074477 -0.00368142 -0.01540802 0.02169345 -0.01193794 -0.00137435 0.00566490 -0.00020519 +H 4.10461532 8.77012921 6.64875127 0.00361603 0.00161758 0.00783816 0.09996730 -0.03038571 0.00004174 0.01881685 -0.00831847 -0.00797648 +C 4.66200884 5.53422659 5.63524205 -0.00062844 0.00770326 0.00398881 -0.00230851 0.03700494 0.01776366 0.00009229 0.00076677 0.00065441 +N 6.27810822 7.47598094 6.09316608 -0.00165195 0.00126326 -0.00645123 -0.00545452 -0.03370603 -0.05436893 0.00027802 -0.00859334 -0.00808749 +C 3.30310967 5.17633792 5.48197375 -0.00286740 0.00140734 0.00460629 -0.02121344 0.03053030 0.04960743 -0.00083536 0.00738901 0.00830609 +H 5.40039847 4.81399368 5.51189599 0.00572720 -0.00397673 0.00194228 0.02432743 0.00675248 -0.03822280 -0.01542900 0.02335669 -0.00937708 +C 7.48628426 6.89813492 5.84557877 0.00704599 -0.00174404 0.00540416 0.01235682 -0.03863282 0.01398474 -0.00321004 -0.00702748 -0.00098161 +H 6.27028077 8.45154831 6.34401856 -0.01689137 -0.01712432 -0.01693345 -0.04210417 -0.00136597 -0.04853029 0.00919468 -0.00538984 -0.00305406 +O 7.67757265 5.75362095 5.35116517 0.00640334 0.00046722 -0.00450641 0.03768966 0.02020320 -0.02033187 0.00445105 0.00402550 -0.00165769 +C 8.65440327 7.70680562 6.17255569 -0.00318889 -0.00105179 0.00946662 0.02414408 -0.00700437 0.04489361 0.00803919 0.00064463 0.00441706 +H 8.34847827 8.59638817 6.70581403 -0.00408085 -0.03262158 -0.03636750 -0.06053903 0.07863784 -0.00390753 -0.00096346 0.02473469 0.02344098 +H 9.33314904 7.12660233 6.77404400 0.00861813 -0.00563558 -0.00797081 0.04172008 -0.01762327 0.05287836 -0.00011349 0.00802080 0.01803930 +H 9.26846564 8.00341989 5.34717878 0.01056227 0.01255802 -0.00917175 -0.08360126 0.02309299 -0.01233546 -0.02840232 -0.00762923 0.00706620 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99430011 5.71702295 5.71513443 0.00232707 0.00650297 0.00744980 -0.00631068 0.04141996 0.05241936 -0.00200745 0.00739387 0.00840497 +C 2.25165148 6.11769287 5.92976789 -0.00395041 -0.00068104 0.00017995 0.05443122 0.00129894 -0.01049793 0.01393372 0.00046478 -0.00288583 +H 0.82263222 4.81820605 5.37376139 0.00169348 0.00286784 -0.01302025 0.09190745 0.11522759 -0.04541873 0.01322123 -0.00719324 -0.01622148 +C 2.66019312 7.48969883 6.18187141 -0.00265625 0.00501214 0.00054535 -0.06013577 -0.02160012 -0.00104862 -0.01359159 -0.00577802 -0.00097853 +H 3.17102651 4.11122583 5.53934227 0.01578965 -0.00373407 0.00406488 0.02942330 0.02120888 -0.01316832 -0.01049317 -0.00017498 -0.00690252 +C 3.98196642 7.82868652 6.30829228 -0.00121209 -0.00516204 -0.00571405 -0.02120837 -0.02098082 -0.03347139 -0.00524367 0.00044541 -0.00307141 +H 1.89959100 8.14165054 6.39303040 -0.00367701 0.00983111 -0.02398221 -0.05606869 0.15830853 -0.15777067 0.01835466 -0.00794929 -0.02096907 +C 5.01023242 6.92760697 6.09515660 -0.00500195 -0.00542484 -0.00276420 0.00468783 -0.03667058 -0.01827686 0.00645266 -0.00148547 -0.00168897 +H 4.12677053 8.84266630 6.57804898 -0.03195789 -0.01992341 0.00185621 -0.03582066 0.02137148 0.01300889 0.01983705 0.00173415 -0.00759191 +C 4.70622645 5.54065976 5.80837969 0.00299246 0.00529977 -0.00349539 0.01543681 0.03993922 -0.02902047 -0.00081337 0.00140563 -0.00474258 +N 6.31845696 7.44909730 6.23086672 0.00083824 -0.00623829 0.00285536 -0.00010806 -0.04395979 0.02896741 -0.00103269 -0.00880548 0.00341269 +C 3.34698503 5.17474551 5.71958109 0.00385085 -0.00070226 -0.00060416 0.00715319 0.00232582 0.00524488 0.00052904 0.00240656 0.00170346 +H 5.51573893 4.88847380 5.59230631 0.01064228 -0.03078653 0.00140510 -0.11980673 -0.12368085 0.08756322 -0.03097864 0.00837554 0.01863454 +C 7.48054193 6.92420354 5.78680977 0.00380192 -0.00475982 0.00141957 0.00703141 -0.04658302 0.00245408 -0.00202542 -0.00525574 0.00113371 +H 6.39079588 8.28276604 6.82000689 -0.01763121 0.01570417 0.00568135 -0.06628365 -0.02028602 -0.09115615 0.00379876 0.00338359 -0.01293772 +O 7.44670315 5.88782401 5.07678015 0.00326630 0.00098953 -0.00215851 0.04116287 0.01856985 -0.01080162 0.00812873 0.00269725 -0.00176892 +C 8.82136779 7.58504221 6.17807703 -0.00326183 0.00184791 0.00020179 -0.03010982 0.02701483 0.02057791 -0.00376310 0.00622123 0.00179602 +H 8.80700595 7.97267668 7.20680661 -0.02183260 0.02101937 0.01585575 -0.13370036 -0.00638796 -0.01760715 -0.01066671 -0.01755181 -0.00130434 +H 9.69906092 6.97967200 6.08711432 0.00602271 0.02133787 -0.01628672 0.01444799 0.04598705 -0.09384840 -0.01641274 0.00258380 -0.00089435 +H 8.98335916 8.45311961 5.60416287 0.00531325 0.00590546 0.02267570 -0.00512816 0.10535903 0.01837258 -0.01558839 -0.00224023 -0.00048976 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02876630 5.79853159 5.83385412 0.00538738 0.00073689 0.00097742 0.01401199 0.00920130 -0.00790454 -0.00068772 0.00087180 -0.00059499 +C 2.32758908 5.99088673 5.93800855 0.00302600 0.00390192 0.00553586 0.02002289 0.02129816 0.02974686 0.00093543 0.00148436 -0.00024161 +H 0.79494779 6.20061834 5.01226793 -0.01118007 0.01170471 -0.01841749 -0.09742334 -0.04474824 0.04716335 -0.02300275 -0.00800586 -0.00112220 +C 2.87724514 6.05992962 7.24712664 0.00197883 -0.00354407 -0.01496395 0.02494070 -0.01627034 -0.05657796 0.00361896 -0.00136263 0.00268458 +H 2.69462418 5.97255298 3.79203867 -0.01338851 0.00579126 0.00186026 -0.06197488 0.06699086 0.04551400 -0.00008528 0.00852292 0.01455683 +C 4.25926301 6.39249975 7.42238590 0.00037593 -0.00066823 0.00180313 -0.00512655 -0.01228477 -0.02431728 0.00027115 -0.00207094 -0.00586081 +H 2.30021261 5.90747498 8.08978243 -0.02984861 -0.00483668 0.00997127 -0.07575420 -0.01591518 -0.11047798 0.02017247 0.00204287 -0.04517063 +C 5.06326547 6.60970694 6.26881114 -0.00029908 0.00518496 -0.00250346 -0.01816388 0.03438878 0.00187954 -0.00197556 0.00480781 0.00319753 +H 4.69010803 6.39777198 8.39266981 0.01335327 0.00424799 -0.02195053 0.06166810 0.06297049 0.00391808 -0.01249335 0.00849244 -0.00187081 +C 4.46534064 6.44420840 4.99191287 -0.00242072 0.00368322 0.00925754 -0.02288877 0.01993670 0.02689880 -0.00406247 0.00147041 -0.00598651 +N 6.37304511 6.95649462 6.46146161 0.00348249 -0.00071225 0.00242105 0.03868762 0.00305642 -0.00103956 0.00505754 0.00107510 -0.00111325 +C 3.09211812 6.14407283 4.77990325 -0.00480215 -0.00859167 0.00364536 -0.00105887 -0.04956471 0.04166959 0.00432264 -0.00436119 0.00772942 +H 5.13949365 6.54143701 4.20579272 -0.03604326 -0.00808436 -0.02462405 -0.22982281 -0.01549064 -0.18111375 -0.02991774 0.00653649 0.00938608 +C 7.40789084 7.29619542 5.62019900 -0.00084045 -0.00173961 0.00164793 -0.02409629 -0.02904108 -0.02570802 -0.00309484 -0.00559298 -0.00873948 +H 6.63711376 6.93784921 7.43791426 0.00336804 0.00701748 -0.02691231 0.09156963 0.03676810 0.02317555 0.01439215 0.00239357 0.00984657 +O 7.34343784 7.38279619 4.38419340 0.00123542 0.00164270 -0.00704435 -0.00248479 0.01304609 -0.03018750 -0.00216172 0.00181927 -0.00134952 +C 8.77701750 7.33576325 6.16488348 -0.00442992 -0.00014388 0.00491394 -0.01314856 -0.00960009 0.06555887 0.00212110 -0.00082175 0.00969192 +H 8.80276684 6.89585349 7.19332211 -0.00944226 0.00983997 0.01138479 -0.06809905 0.01326895 0.01565620 -0.00850657 -0.01312479 0.01868182 +H 9.44209425 6.80283921 5.54277730 0.01078473 -0.01000610 0.01233865 0.05934959 -0.04634832 0.09659118 -0.01143601 0.00586187 0.02715870 +H 9.11271623 8.32838012 6.36034539 0.00720071 -0.02069917 0.00775216 0.07082639 0.03710094 -0.02620162 0.00036747 0.00644769 -0.01462547 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97875916 5.65683003 5.93962865 0.00133914 0.00105302 0.00158962 0.02017095 0.01855075 0.00945163 0.00310553 0.00288871 0.00059009 +C 2.30320191 6.10942466 5.86668654 -0.00016679 0.00618304 0.00928791 -0.01018067 0.01922430 0.06388598 -0.00083420 -0.00239527 0.00728591 +H 0.77025409 4.89334509 5.48892513 -0.01111858 0.00210643 -0.00319777 0.00186742 0.01724669 -0.02214228 0.01845936 0.02185752 0.00815225 +C 2.66819794 7.36012578 6.43265648 -0.00449012 0.00032011 0.00353306 -0.01922032 -0.01145604 0.02345572 -0.00192237 -0.00040389 0.00427440 +H 3.15476143 4.35398569 4.90605331 0.01471583 0.04739183 -0.00327443 -0.04434316 0.01433026 -0.12625879 -0.01681584 -0.00052881 -0.00847749 +C 4.00080503 7.74834843 6.55650860 0.00191942 -0.00691053 -0.00739609 0.00973865 -0.03116950 -0.05683797 -0.00194505 0.00073584 -0.00620470 +H 1.93661792 8.01394114 6.84283390 0.02220463 -0.01042082 -0.01879011 -0.07776479 0.06172344 -0.01498513 -0.01705796 0.00422907 0.00460639 +C 5.04468921 6.98728031 5.98006222 0.00122692 -0.00395634 -0.00021330 -0.02071318 -0.05429833 -0.01885136 -0.00343741 -0.00912081 -0.00484915 +H 4.25333319 8.68383376 6.93238968 -0.02948663 0.00129496 0.00221997 -0.14868750 0.01461037 0.05425500 -0.00527589 -0.02481914 -0.00526868 +C 4.63503787 5.74929374 5.34563557 0.00884192 -0.00592409 -0.00541438 0.06540152 -0.01806657 -0.01839176 0.00899764 -0.00212888 -0.00190663 +N 6.30787406 7.50579555 5.97408573 -0.00423512 0.00042575 -0.00395185 -0.02455220 0.01903525 -0.02033936 -0.00420896 0.00386456 -0.00167356 +C 3.32177813 5.29342777 5.35491369 0.00340675 0.00309991 -0.00178576 0.01933808 0.04938385 -0.00701511 0.00108339 0.00706610 -0.00209229 +H 5.33034669 5.09760130 4.88679757 -0.01216314 0.00672545 -0.00698785 0.09466799 -0.02156874 -0.12084603 0.01599763 0.00700040 -0.00954022 +C 7.47130031 6.91460546 5.87712157 -0.00245759 0.00851578 -0.00173927 -0.02429805 -0.02005935 -0.02039831 -0.00297100 -0.01092306 -0.00334355 +H 6.45355214 8.50656511 6.13597982 -0.02171067 -0.01940655 0.00928863 -0.19791170 0.00994712 0.10532398 -0.02334878 0.01718678 0.01627431 +O 7.56955412 5.69804285 5.63433306 -0.00210681 -0.00314954 0.00287998 -0.01530885 -0.00532753 0.02419506 -0.00230897 0.00078595 0.00373629 +C 8.70818488 7.65462406 6.01904967 -0.00116364 -0.00132378 0.00633254 0.03399191 0.00160400 0.02214838 0.00889110 0.00519845 -0.00052069 +H 8.85118267 8.31369161 6.82272044 0.00552865 0.00844206 -0.01358996 -0.06141938 0.12307313 0.04011370 -0.02121866 -0.00363860 -0.00025035 +H 9.54220597 6.95875093 6.08503673 0.01357447 -0.01578273 -0.00815402 -0.00614752 -0.02211995 -0.02204696 -0.00563233 0.00740369 0.00641695 +H 8.82562802 8.12279636 5.10244749 0.00468769 0.00696024 -0.00457866 0.05960068 0.10095222 -0.00178262 0.00705393 0.00193224 0.03033369 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99180228 5.81717426 5.77358891 -0.00036303 0.00328309 0.00041116 -0.00610672 0.00633527 0.00597437 -0.00097785 0.00091187 0.00120589 +C 2.30239368 6.16792993 5.90652045 -0.00030975 -0.00488031 -0.00415763 -0.00933056 -0.03837626 -0.02597411 -0.00089218 -0.00260677 -0.00199757 +H 0.81058521 4.87582841 5.75531171 0.02100205 -0.02445839 0.00409965 0.15452245 0.03511639 0.00836315 0.01115839 -0.01200269 -0.00285398 +C 2.60187944 7.42364091 6.35989032 0.00190299 0.00523377 0.00308332 0.03910511 0.01418957 -0.00091172 0.00706961 -0.00203351 -0.00373104 +H 3.00748115 4.24835491 5.34810062 -0.02443048 -0.02143147 -0.01033774 -0.05198913 -0.03452850 -0.09539504 0.01702850 0.02483130 -0.01282384 +C 3.94688695 7.75986345 6.38242788 0.00690780 0.00540910 -0.00323584 0.06662060 0.02286553 -0.01152593 0.00832655 0.00667207 0.00215443 +H 1.84322814 8.13590558 6.64924306 0.02158860 -0.02863242 -0.01829708 -0.05590007 0.01630905 -0.02453268 -0.01036618 0.01609489 0.00463224 +C 5.01359783 6.84268967 6.01948733 -0.00318813 0.00217054 0.00339804 -0.03497955 0.02953877 0.02860948 -0.00235443 0.00235276 0.00361500 +H 4.30202603 8.64202366 6.80146903 0.00266862 -0.01016186 -0.01044219 -0.02604180 0.16954048 -0.04533240 -0.01387008 0.01364148 -0.01926179 +C 4.66317962 5.57411715 5.55215585 -0.00926860 -0.00859394 0.00480669 -0.05026731 -0.03145923 0.04939146 -0.00145860 0.00143020 0.00860620 +N 6.29060825 7.35662224 6.21230824 0.00248842 -0.00343609 0.00379256 0.03685768 -0.01922370 0.00624105 0.00634621 -0.00329554 -0.00206050 +C 3.29717540 5.21369031 5.58582149 0.00211984 -0.00223024 -0.00318310 -0.01321200 -0.03287333 -0.03142643 -0.00797717 -0.00885569 -0.00595472 +H 5.41100118 4.84523373 5.30166677 -0.00227629 0.03664893 -0.00298908 0.04013178 0.06044906 -0.06534716 -0.00641346 -0.01248418 -0.00586721 +C 7.48859355 6.91215192 5.78677677 0.00346739 -0.00695382 -0.00241948 0.02450522 -0.04920689 0.00835152 0.00159913 -0.00230438 0.00611780 +H 6.38753493 8.32305851 6.50599802 0.03350724 -0.00172699 0.00402842 0.08899958 -0.07115037 0.08549314 -0.00733678 -0.00773468 0.02201400 +O 7.65015977 5.77166156 5.29875860 -0.00181559 0.00670116 0.00083977 -0.00820592 0.04211343 -0.00176480 0.00007834 0.00254750 -0.00251476 +C 8.75232326 7.77262508 6.09813939 -0.00499689 0.00403513 -0.00388556 -0.04504578 0.01982217 -0.02418992 -0.00651490 0.00069286 -0.00286719 +H 8.44458570 8.50047576 6.86610370 -0.00008339 0.00745497 0.00459502 0.07150263 0.01769949 -0.02000959 0.01049762 0.00036998 0.00018554 +H 9.65188314 7.27041851 6.38750218 0.00505251 -0.01695574 0.01129804 -0.12839092 -0.08917810 0.04825962 -0.03934061 0.00128209 -0.00654747 +H 9.05020518 8.25519577 5.15724482 -0.01692830 0.01776736 0.01214031 -0.10849027 0.17436592 0.04642141 -0.00902858 0.02232603 -0.00088478 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00245748 5.67079415 5.78146253 0.00301621 0.00424507 -0.00152610 0.01977456 0.02930711 -0.01710323 0.00099943 0.00308976 -0.00433267 +C 2.30484212 6.05925977 5.94856213 -0.00082025 -0.00802785 -0.00548127 0.00974042 -0.04010114 -0.02123741 0.00307815 -0.00051211 0.00171742 +H 1.00595225 5.36353336 4.92322510 -0.03021298 -0.00888608 -0.00398376 -0.26390612 -0.06632557 0.04662630 -0.03184168 0.00021221 0.03575293 +C 2.70356694 6.97703374 6.95092400 -0.00127770 -0.00032372 -0.00171644 -0.02905303 0.01516038 0.00816889 -0.00000155 0.00150408 -0.00122921 +H 3.05593746 4.95904771 4.17348510 -0.00044233 -0.02065931 0.00525718 -0.01662956 -0.16455626 0.14640908 -0.00486945 -0.02532633 0.02487053 +C 4.01988333 7.46276176 7.08685459 0.00333869 0.00337473 0.00465778 0.04801693 0.00157942 -0.00244393 0.00421369 -0.00526289 -0.00566110 +H 1.92917407 7.41759090 7.64248047 -0.02723804 0.01825979 0.02459007 0.04318284 -0.05341953 -0.07637704 -0.00647133 -0.00639300 -0.00511151 +C 5.04406793 6.93622082 6.18323452 0.00534108 0.00002921 0.00557004 -0.00565556 -0.01509522 0.04492102 -0.00457418 -0.00465622 0.00502448 +H 4.35855967 8.26789103 7.81851135 0.01622307 -0.00341351 -0.00295167 -0.02672699 -0.08089071 -0.00453404 -0.00734522 0.00984784 0.02546805 +C 4.61852332 5.92138782 5.25870555 -0.00396003 -0.00054874 0.00406134 -0.01419140 0.01466169 0.02134317 0.00103794 0.00412497 0.00204030 +N 6.35961226 7.37816160 6.29606248 0.00305361 -0.00173210 -0.00339092 0.01389230 -0.00490554 -0.01159046 -0.00116539 -0.00014848 0.00033775 +C 3.29081665 5.53417717 5.07081659 -0.00275086 -0.00121634 -0.00134812 -0.02285841 -0.00213734 -0.00501291 -0.00168021 -0.00035835 -0.00005248 +H 5.21400953 5.50936782 4.46874777 0.01028772 0.00467245 0.02492664 0.16724794 -0.00281802 0.17247755 0.01345637 -0.00542997 0.02571895 +C 7.47063975 6.94506327 5.66584170 0.00534036 0.00430470 0.00189142 0.00230136 0.01441718 -0.01492661 -0.00395707 -0.00105077 -0.00672604 +H 6.54383911 8.09052522 6.96964281 -0.02240882 0.01435747 0.01127677 -0.12248257 -0.00285657 -0.01160220 -0.00128684 -0.00826019 -0.00990555 +O 7.49359837 6.14630288 4.73655445 -0.00168738 -0.00206958 -0.00753237 -0.00611280 -0.00624459 -0.04175375 0.00044989 0.00121899 -0.00346486 +C 8.71144249 7.53621568 6.15372279 -0.00183556 0.00333738 0.00496869 -0.00707473 0.03292169 0.04602736 0.00117958 0.00202546 0.00597447 +H 8.50415662 7.87913658 7.18645701 -0.02064023 -0.00315282 -0.00114525 0.00299556 0.00771444 0.03073473 0.02017605 0.01634159 0.01898970 +H 9.43772902 6.75098636 6.14976436 -0.02877981 0.01059106 -0.00466078 0.00987267 -0.02999348 0.02347776 0.01131282 -0.00033184 0.01522134 +H 9.04959316 8.44657385 5.59767789 -0.00053692 -0.03330341 -0.01259176 0.02026809 -0.15981100 -0.14757036 0.00844379 0.00289143 -0.02489777 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99964589 5.78063323 5.79327309 0.00575243 -0.00198919 -0.00493174 0.03576188 -0.01749478 -0.02064291 0.00280969 -0.00273673 -0.00325095 +C 2.33092505 5.99759967 5.96443420 0.00120790 -0.00290903 0.00520564 0.01823609 -0.01194750 0.00421790 0.00366579 -0.00004925 -0.00421290 +H 0.71136368 5.93339442 4.92246435 -0.00558619 -0.00640195 0.02077278 -0.06447602 0.00644760 -0.02309435 0.00684231 0.00139127 0.01235539 +C 2.97705785 5.47122024 7.08701963 -0.00460472 0.00608732 0.00715557 -0.01288823 0.06096971 0.03357947 0.00294881 0.01113917 0.00278053 +H 2.55898484 7.08411115 4.07690665 -0.02156405 0.01517299 -0.02143741 0.04636059 -0.06519439 0.05931301 0.01041148 -0.01900921 0.00410565 +C 4.33467644 5.76619275 7.21468857 0.00451525 0.00144491 -0.00749099 0.03486773 0.00156536 -0.01133924 0.00367653 -0.00142134 0.00437004 +H 2.39117297 4.93974219 7.85890367 0.01047122 0.02938725 -0.00749106 0.01438207 0.08945325 0.07897528 -0.00736118 -0.00366572 0.02617342 +C 5.05615096 6.51089450 6.26926958 0.00376910 0.00567242 0.00330103 0.03941886 0.03081938 0.00103472 0.00461527 0.00329123 -0.00596819 +H 4.85732765 5.49943318 8.10086273 0.00073794 -0.02274122 0.00512265 -0.03305954 -0.14868550 -0.02705684 -0.00563637 -0.01321199 -0.01499044 +C 4.47733884 6.82157532 5.08383382 -0.00056307 0.00467342 -0.00892711 -0.02003483 0.05393062 -0.06872159 -0.00415005 0.00885063 -0.00633077 +N 6.41664053 6.78441735 6.45212310 -0.00419950 -0.00570355 0.00325034 0.00931902 -0.03827503 0.02741610 0.00659161 -0.00519972 0.00533297 +C 3.08937437 6.66152623 4.94292237 0.00525067 -0.00362720 0.00153546 -0.00514607 -0.02364027 0.00072215 -0.00462514 -0.00393189 0.00076005 +H 5.01546009 7.36434929 4.31498049 -0.00541070 0.01278475 -0.02490494 -0.11966280 0.01363864 -0.12764528 -0.01526844 -0.00055514 -0.01740643 +C 7.36498229 7.38196643 5.64801728 0.00106769 -0.00251934 0.00717236 -0.00889908 -0.04470120 0.07275867 -0.00412947 -0.00721927 0.00673411 +H 6.87156098 6.33116013 7.22366778 0.00469531 -0.00537796 0.01100613 -0.07957472 0.00999279 0.08278821 -0.02084598 0.00381090 0.01713356 +O 7.19399715 7.82137251 4.58234055 -0.00367038 0.00113903 0.00280821 -0.03632640 0.02120644 -0.00078066 -0.00645044 0.00347009 0.00028128 +C 8.80266931 7.36208684 6.11348085 -0.00170256 -0.00351066 -0.00555322 -0.01756903 -0.01973802 -0.03815598 -0.00241987 -0.00274146 -0.00175444 +H 9.04680459 6.68062173 6.87721077 -0.01063343 -0.00270785 -0.00703393 -0.06290525 -0.06041704 0.03080608 -0.00784527 0.00336592 -0.01092101 +H 9.38368643 7.06422209 5.22921901 -0.02697443 0.01092803 -0.01540094 -0.06796298 0.06240132 -0.09656971 0.01006505 0.00463478 -0.00947133 +H 9.05102148 8.37989662 6.35385170 -0.02695616 -0.00158879 -0.00067768 -0.08710523 0.00220392 0.05189693 0.00081029 -0.01049242 0.00920300 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00667092 5.70246514 5.83313618 -0.00097618 0.00539416 -0.00097148 -0.00954764 0.02442534 -0.00587634 -0.00052274 0.00425507 -0.00096577 +C 2.29828593 6.10024644 5.84527295 0.00248626 0.00360774 -0.00045798 0.01632596 0.03703777 0.00141710 -0.00082315 0.00256347 -0.00047482 +H 0.85565324 4.77530804 5.92990776 0.00073147 -0.01835068 0.01289424 0.05590590 0.05576073 0.04054764 0.00883566 -0.00069949 0.00330625 +C 2.62091034 7.39829320 6.34749156 0.00097659 -0.00737075 -0.00862395 -0.00420206 -0.02379540 -0.02967941 0.00185293 0.00233613 0.00022111 +H 3.04878916 4.38372476 4.96034621 -0.00703742 -0.01879641 -0.03612518 0.10267852 0.02264073 -0.11227201 0.01867057 0.00360936 0.00073286 +C 3.92175157 7.87635627 6.47338108 0.00435792 -0.00050997 0.00540854 0.03584693 -0.02310286 0.02308556 0.00373621 -0.00782232 0.00117233 +H 1.85293853 8.03940616 6.80380955 -0.00404938 0.00273010 0.00070325 -0.01920681 -0.06815887 -0.13310478 -0.01865561 -0.00481261 -0.02479411 +C 4.96723172 7.00666886 6.03208182 0.00522961 0.00077555 0.00442354 0.03351676 0.00385695 0.04043333 0.00169498 -0.00335915 0.00514246 +H 4.07640945 8.91085478 6.85958261 0.00436673 -0.00779994 0.02060009 0.06252671 -0.12947451 0.13485101 0.01464232 -0.00503206 0.02254830 +C 4.68524882 5.75582444 5.51307955 -0.00466021 -0.00103883 -0.00055806 -0.03787347 -0.01497999 -0.01844691 -0.00472442 -0.00192450 -0.00315823 +N 6.29709128 7.41644471 6.15719021 -0.00261414 -0.00552998 -0.00466456 0.00418572 -0.04372740 -0.03734693 0.00488971 -0.00217937 -0.00455203 +C 3.36616026 5.32851271 5.39243519 -0.00574709 -0.00515330 0.00568467 -0.05611639 -0.06245861 0.02229659 -0.00662479 -0.00905405 0.00086794 +H 5.39238514 5.10434772 5.03276261 0.00483996 0.01232634 0.00276043 0.08545140 0.04851350 0.07220782 0.00415048 0.00012063 0.01362485 +C 7.47964979 6.75635582 5.88480999 0.00374856 0.00187944 -0.00038514 -0.00204765 0.06077189 0.00257144 -0.00221790 0.01047094 -0.00031279 +H 6.37843649 8.35036891 6.45270799 0.02223901 -0.00991672 -0.01804762 0.12844428 -0.00442537 -0.11336801 0.00103233 -0.01513040 -0.01908127 +O 7.74711484 5.62941630 5.64702800 -0.00241949 0.00613431 0.00276755 -0.02735458 0.00868987 0.01461879 -0.00525089 -0.00193397 0.00180065 +C 8.60091800 7.69109243 5.83608462 0.00065881 0.00066210 -0.00082914 0.04037192 0.04267127 -0.01570010 0.00751917 0.00830100 -0.00246348 +H 9.23154678 7.61534407 6.76774265 -0.01793774 -0.00448661 -0.01163231 -0.11428430 0.00081315 0.02065842 0.00015560 0.00490569 0.03149585 +H 9.32916056 7.45796558 5.03094988 0.01283012 0.00353980 0.00383107 0.00710207 -0.03048725 0.03650767 0.00411566 -0.00897260 -0.00768900 +H 8.38486148 8.76655316 5.59888259 -0.00977227 0.01979128 0.00576993 -0.08875864 -0.05148405 0.12463669 -0.01417645 0.00144439 0.01800880 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.07493566 5.60117229 5.89262660 -0.00576532 -0.00182678 -0.00058109 -0.03154113 -0.00266404 -0.00929423 -0.00349435 0.00308437 -0.00119049 +C 2.31883671 6.18004658 5.86703239 -0.00195642 -0.00186883 -0.00534480 -0.01574517 -0.01179272 -0.02433038 -0.00208121 0.00086754 -0.00049625 +H 1.17320077 4.73705024 5.44541361 -0.01358880 -0.00924799 0.00235649 -0.18188934 -0.01518860 0.07721536 -0.03101889 -0.02316238 0.00486653 +C 2.57322985 7.51694703 6.27062044 0.00429504 0.01004739 -0.00006487 0.02444300 0.02622861 -0.00324794 0.00135976 -0.00526895 -0.00210089 +H 3.12731662 4.27893008 5.18530304 -0.00263389 0.00942070 -0.01871123 -0.02277078 0.03531716 -0.08581714 -0.00012756 0.01135422 0.00294454 +C 3.93831591 7.91910621 6.30885331 0.00122259 -0.00367594 0.00364690 0.02512609 -0.02084609 0.01404128 0.00362044 -0.00309824 0.00040699 +H 1.78305159 8.16112483 6.62834105 -0.02118641 -0.00133874 -0.00692965 -0.02980220 0.00116792 -0.11440866 0.01515623 0.00653709 -0.01973252 +C 5.00665191 6.97834824 5.95277032 -0.00461684 -0.00165257 -0.00165597 -0.03684310 0.00618775 -0.01549568 -0.00347623 0.00091069 -0.00291168 +H 4.19187131 8.96812072 6.52350119 0.00773073 0.01957921 0.00624575 -0.00583343 -0.09504600 0.06496455 0.00094368 -0.01514493 0.01721357 +C 4.69358107 5.66189330 5.53229603 0.00419149 -0.00583312 -0.00035005 -0.00013522 -0.02076262 0.00411857 -0.00368393 0.00289137 0.00240962 +N 6.28863034 7.51299242 5.90929230 0.00070951 -0.00473806 0.00070636 -0.01269313 -0.03510498 0.02255311 -0.00318232 -0.00653243 0.00512416 +C 3.35068965 5.27130793 5.49488917 0.00076496 0.00100518 0.00506559 0.00131461 0.01324732 0.02907260 -0.00090418 -0.00002207 0.00154906 +H 5.36346084 4.84083510 5.16258622 -0.00200764 0.02352301 0.00561735 0.14862726 0.14613025 0.03052922 0.03704538 0.00117130 -0.00303306 +C 7.42311642 6.82119384 5.91323219 0.00074354 -0.00139141 0.00463270 0.05710797 0.00674373 0.02156472 0.01116684 0.00480364 0.00178254 +H 6.32036585 8.50539754 6.18712039 -0.02700750 -0.00277882 0.00345847 -0.05031413 -0.04713478 -0.07807779 0.01434336 0.01136847 -0.01832161 +O 7.52589066 5.57460973 5.88910395 0.00390740 0.00939038 -0.00101875 0.02784345 0.06508053 -0.00583809 0.00474038 0.00713317 -0.00059576 +C 8.78384743 7.67395501 5.90799380 0.00111382 -0.00158580 -0.00212182 -0.01572742 -0.03090634 0.00915063 -0.00340784 -0.00668525 -0.00132917 +H 8.99037411 8.17101000 4.99655497 -0.01907672 -0.03367249 0.00558855 -0.15352879 -0.11253638 -0.14784090 -0.02952708 -0.00819739 -0.00581320 +H 8.69652275 8.47964536 6.69487153 -0.00621461 -0.00940263 0.00441310 -0.00593448 -0.08215336 -0.03195067 0.00483574 0.00995433 0.00641766 +H 9.66229312 7.09632400 6.17850381 0.03500117 0.00875051 -0.03183307 0.06535925 0.04669526 -0.20337358 -0.01811244 0.00146292 -0.01917596 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04266645 5.77207313 5.91953663 -0.00184622 -0.00023257 0.00121338 -0.02367072 0.00060373 0.00481290 -0.00457589 -0.00026686 0.00011991 +C 2.34273282 6.11358126 5.93187268 0.00012832 -0.00217057 0.00031616 -0.02336306 0.00777309 0.00780768 -0.00565812 0.00498407 0.00181888 +H 0.53420378 6.53740199 5.82058997 -0.01509918 0.01712892 0.02212725 -0.06433594 -0.03689902 0.17837780 -0.00824502 -0.01848198 0.02897540 +C 2.64039990 7.38711812 6.41303834 0.00238383 0.00392028 -0.00794346 -0.00471877 0.02370676 -0.04294075 -0.00070113 -0.00143923 -0.00655583 +H 3.14781646 4.29205204 5.05117773 -0.00093119 -0.00402636 -0.02365923 -0.09910364 0.08227294 -0.07443089 -0.02006101 0.03171977 0.00469538 +C 3.95789399 7.77778523 6.41852350 -0.00520025 -0.00269441 -0.00254599 0.01666078 -0.02260086 -0.01887392 0.00754834 -0.00351151 -0.00182854 +H 1.89738171 8.11736164 6.89699314 -0.01394507 -0.00475368 -0.00308708 -0.02886033 -0.13321701 -0.14872070 -0.02931309 0.01085522 -0.01283523 +C 5.00450499 6.90044317 5.94501283 -0.00250336 -0.01488172 0.00784407 -0.02203634 -0.05535685 0.06252258 -0.00062790 -0.00044395 0.00939787 +H 4.24470296 8.74672565 6.81945135 -0.00090349 -0.00394109 0.00655756 -0.04534571 -0.04297227 0.01992556 -0.00443236 -0.00057963 -0.00005070 +C 4.67654106 5.65840059 5.43421282 0.00487755 0.00205302 -0.00010714 -0.00394494 -0.01908554 -0.00178848 -0.00278972 -0.00844534 -0.00202596 +N 6.27886086 7.36644016 6.00764985 0.00217289 -0.00405597 0.00321586 0.01222599 -0.02133284 0.02891962 -0.00040023 -0.00359114 0.00449719 +C 3.31769368 5.25800403 5.43372073 -0.00390171 0.00974125 0.00255987 0.00653333 0.03734459 -0.00222007 0.00346501 -0.00069960 -0.00372874 +H 5.34887614 4.90734296 5.16466983 -0.00117416 0.01231538 -0.02488220 0.10181985 0.09553393 -0.21961838 -0.00091274 0.03153091 -0.01902014 +C 7.48422470 6.82936366 5.81379756 0.00681085 0.00714189 0.00038588 0.02254889 0.02292837 -0.00891138 -0.00101424 -0.00005176 -0.00221795 +H 6.31816006 8.35424487 6.34579751 -0.02101369 -0.01500608 -0.00979125 -0.07433531 -0.03320701 -0.03434001 0.00451508 0.02431897 0.00686343 +O 7.69926025 5.68462924 5.35483173 0.00324239 0.00552917 0.00378792 0.02495845 0.05036885 0.03160891 0.00403490 0.00756072 0.00463516 +C 8.57793084 7.76148080 6.23686824 -0.00137478 -0.00256115 -0.00691024 0.02296760 -0.02677911 -0.03507077 0.00596529 -0.00429405 -0.00543330 +H 9.55556658 7.26157468 6.01770441 -0.00835917 0.00139207 -0.01077974 -0.03534293 0.01188680 -0.11241850 0.01956747 -0.00664413 -0.02339356 +H 8.60093256 8.73953774 5.69813927 -0.00619668 -0.02186239 0.00144529 -0.08421008 -0.03911306 -0.00491225 -0.01505375 0.01927926 -0.00671884 +H 8.61259582 7.86770290 7.36508559 0.00072563 -0.01549034 -0.00572823 -0.03515309 -0.03475512 -0.11344128 -0.00564530 0.00777943 0.00951082 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.07970856 5.74304104 5.74495383 -0.00136036 0.00130598 0.00081105 -0.02414444 0.00529027 0.00647647 -0.00373394 0.00248484 0.00216813 +C 2.32322050 6.16189425 5.91512260 0.00526781 -0.00295892 0.00119807 0.03650736 -0.01579103 0.01245973 0.00241571 -0.00330136 0.00115292 +H 1.00481265 4.85174559 5.34506508 -0.00316124 0.00297992 -0.01309667 -0.01854156 0.08224489 -0.07089283 -0.00574676 -0.01141385 -0.02271496 +C 2.60860855 7.35476299 6.60620456 0.00273207 0.00013328 -0.00533447 0.00827804 -0.00410186 -0.04241061 0.00312565 -0.00200398 -0.00661984 +H 3.00389497 4.56390542 4.82025792 0.00081027 -0.01452437 -0.01382591 0.10330760 -0.10151295 -0.02489839 0.02950087 0.00305669 0.01623419 +C 3.97794897 7.70513866 6.64938957 -0.00497378 0.00094610 0.00028189 -0.03408986 0.02121165 0.01248099 -0.00033679 -0.00016461 -0.00084250 +H 1.72151166 7.94844896 6.98858271 -0.00209542 0.02300370 0.00578562 0.21529255 0.03868852 0.00348521 0.01364755 0.01226482 0.00882259 +C 4.96772389 6.92658923 5.99629083 0.00194701 -0.00362540 0.00633742 0.03370186 -0.00410317 0.05343617 0.00280703 0.00182808 0.00889522 +H 4.05740169 8.66209699 7.28225779 0.01334501 0.01065066 -0.00268265 0.23141529 -0.05579568 -0.18456376 0.04285207 0.02164879 -0.01481138 +C 4.70247231 5.71509305 5.36241282 -0.00793006 0.00090774 0.00078114 -0.05037063 0.01987102 0.01495956 -0.00307772 0.00554967 0.00339478 +N 6.28533209 7.43164467 5.94999816 0.00089982 -0.00359927 0.00042327 -0.00635694 -0.01938055 0.00445312 -0.00122451 0.00173119 0.00115691 +C 3.33226284 5.37983747 5.36512027 0.00700526 -0.00079386 0.00190784 0.02981737 -0.03627441 -0.01379380 -0.00126982 -0.01022694 -0.00566630 +H 5.48827140 5.12986062 4.90528248 0.00987514 0.01489214 -0.00523783 -0.08990364 0.06043223 -0.06077178 -0.02775761 -0.00131952 -0.01163842 +C 7.45388941 6.81112610 5.79549796 -0.00100225 0.00678623 -0.00671798 0.00289708 0.06117923 -0.03167906 0.00096553 0.00477137 -0.00201148 +H 6.39073742 8.40914331 6.11743398 0.01464313 -0.02320149 -0.00125250 0.03646656 0.00849659 0.01332514 -0.01137776 0.00263384 0.00164304 +O 7.60160237 5.62423434 5.83030708 -0.00128751 0.00569421 0.00008045 -0.00284983 0.02500883 -0.00577790 0.00028894 0.00287635 -0.00198042 +C 8.67157576 7.79027069 5.79400830 -0.00003415 -0.00891511 0.00090641 -0.01160548 -0.06367997 0.00650640 -0.00173889 -0.00475847 0.00299887 +H 8.68738547 8.39986885 6.63256125 -0.01624584 -0.00295493 0.00741735 -0.12007970 -0.00550915 0.05887335 -0.01282620 -0.02308558 -0.01883245 +H 9.52601832 7.11937203 5.92137758 -0.01655286 0.00418943 0.00333081 0.05723095 -0.01300664 -0.00054724 0.02249370 -0.00394308 -0.00415402 +H 8.81709334 8.36485012 4.89218120 -0.00698452 0.01347775 0.00715225 -0.07875503 0.03279699 0.05051740 -0.01353612 -0.01001693 0.01088558 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.93692537 5.98781274 5.62101627 -0.00052099 -0.00224230 0.00402497 0.00477292 -0.01172285 0.02806018 -0.00005364 -0.00186554 0.00643155 +C 2.30758976 6.13353648 5.72356999 -0.00408943 0.00670756 -0.00309610 -0.01441416 0.02538413 0.01711434 0.00140917 0.00166165 0.00511186 +H 0.48002472 5.78341542 6.39351251 0.00627346 -0.00123983 -0.01414142 0.00680509 -0.05686401 0.07105931 0.01887725 -0.00318804 -0.00711978 +C 2.90544114 6.57663229 4.58451123 0.00806617 0.00706439 -0.00266865 0.04992845 0.05196722 -0.00535204 0.00355387 0.00679828 0.00082531 +H 2.73839437 5.67187428 7.90577786 0.00155702 0.00738886 0.00875316 -0.04473150 -0.06073090 -0.07338959 -0.01576836 -0.02527207 -0.02083146 +C 4.25812131 6.81192910 4.61908094 0.00520345 -0.00419036 0.00186809 0.05761360 -0.01112555 -0.01082371 0.00918334 0.00106668 -0.00586854 +H 2.32306596 6.95369293 3.76462731 0.02309789 -0.01290545 0.01036110 0.05324318 -0.09265650 -0.11753321 0.00512553 -0.01490189 -0.02248151 +C 5.11974944 6.52939313 5.68420782 -0.00521882 -0.00037806 0.00829909 -0.04492410 -0.00538113 0.03082845 -0.00338695 -0.00011452 -0.00111707 +H 4.70414753 7.34939335 3.80888660 -0.00058225 -0.01000422 -0.00915871 -0.00715230 -0.12233447 -0.11646890 0.00518708 -0.02539874 -0.01493517 +C 4.54340529 5.99095023 6.85895285 -0.00009454 -0.00392650 -0.00489305 -0.00742194 -0.02201436 -0.02049039 -0.00298711 -0.00284006 0.00138214 +N 6.41342695 6.85907711 5.41777158 -0.00328593 -0.00326591 0.00484334 -0.00606557 -0.01709311 0.02550243 0.00070177 -0.00150401 0.00239066 +C 3.13672546 5.85681431 6.91274041 0.00081158 -0.00367930 -0.00242039 -0.02245908 -0.01259112 -0.03359662 -0.00590701 -0.00013196 -0.00634850 +H 5.13013156 5.80820681 7.72298091 0.00925100 0.00703704 -0.00414677 0.04276089 0.01046071 -0.01915352 -0.00686948 -0.00489900 -0.01062352 +C 7.41912524 7.02599471 6.25870949 0.00133300 -0.00429028 0.00234559 0.02059672 0.00219554 -0.00191001 0.00239589 0.00443250 -0.00253207 +H 6.62556083 7.13543594 4.51756908 0.00424474 0.02874351 -0.02000311 -0.04920910 0.07182875 0.04381755 -0.01791527 -0.01085521 0.03466269 +O 7.34204610 6.92345887 7.46342403 0.00030311 0.00539126 -0.00405965 0.00278452 0.02927673 -0.00930108 0.00072651 0.00298123 0.00169435 +C 8.70127738 7.65491740 5.64203277 -0.00524220 0.00288006 -0.00115844 -0.04169551 -0.00962046 -0.00181238 -0.00577826 -0.00499761 -0.00062916 +H 9.52210300 7.41584085 6.35702667 -0.00780437 -0.03288859 -0.01437497 -0.03273512 -0.08310040 -0.11188676 0.01157719 0.00157961 -0.00671886 +H 8.98224511 7.11370221 4.72278936 -0.01334178 0.01023435 0.00100769 -0.12022732 0.08445271 -0.05188653 -0.01955683 0.00773357 -0.02054403 +H 8.54759221 8.73984256 5.44033258 0.01725724 -0.00319755 -0.00450786 0.14865520 -0.01633281 0.03363028 0.01698786 0.00838882 0.01573528 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98554512 5.70387453 5.77906440 -0.00048691 -0.00424410 0.00092884 -0.00516929 -0.03826532 -0.00245522 0.00032442 -0.00718325 -0.00198401 +C 2.25114832 6.12794501 5.82208377 -0.00092660 0.00065129 -0.00285654 0.03847441 -0.00137741 -0.00509491 0.00601096 -0.00143807 0.00096948 +H 0.97573426 4.86760552 5.42300347 0.00281782 -0.00262122 -0.01740937 -0.04646979 -0.01328371 -0.09901360 -0.01399383 0.01857143 -0.00162913 +C 2.54248426 7.33539247 6.46738167 0.00031893 -0.00309910 -0.00520610 0.03695579 -0.01250633 -0.04678972 0.01082366 0.00128744 -0.00684386 +H 3.14568906 4.47182419 4.74870232 0.01154455 -0.01138156 0.01872644 0.15083413 -0.10698049 0.29969908 0.01049995 -0.04326928 0.03875783 +C 3.89907680 7.78118731 6.51506454 0.00723700 0.00004948 0.00429388 0.03489581 0.00411612 0.03833225 0.00186559 0.00201237 0.00613494 +H 1.68338668 7.93099782 6.85041585 0.02867425 -0.01944435 -0.02619898 0.05930786 0.02353625 -0.05998386 -0.01421929 0.02388818 0.00783506 +C 4.99125450 7.01684870 6.04219751 -0.00327914 0.00164156 -0.00259769 -0.00261526 0.01289511 -0.00156527 0.00343370 0.00194011 0.00236478 +H 4.16518993 8.67873764 7.02853237 0.01552009 -0.00168513 -0.00396275 0.01689383 0.07037226 -0.02274676 -0.01276431 0.00877955 -0.00533419 +C 4.71476903 5.77336254 5.51902449 -0.00142161 0.00333234 0.00479403 -0.01736146 0.00420083 0.02678517 -0.00605292 -0.00106006 0.00228109 +N 6.30674895 7.46942702 6.16073560 0.00183111 -0.00000337 0.00158573 0.00950490 -0.00737615 -0.00354173 0.00083138 0.00149358 -0.00124842 +C 3.41853356 5.33549516 5.43307928 -0.00191985 0.00502131 0.00178538 -0.06978574 0.02603421 -0.01765153 -0.01046827 0.00282457 -0.00440211 +H 5.47485466 5.05326299 5.18471504 -0.00190322 0.01711556 0.00594218 0.00180588 0.09341156 -0.02536183 0.00759236 -0.00395055 -0.01351319 +C 7.48746855 6.82762743 5.85002267 -0.00498792 0.00256969 0.00275602 -0.01748086 0.03046211 0.02388258 0.00143178 0.00306634 0.00287426 +H 6.29635308 8.46349692 6.29552493 0.01558679 -0.02987658 0.01371193 0.19811341 -0.00569608 0.16033959 0.02567811 -0.00419458 0.02220415 +O 7.61463845 5.62610549 5.69112265 -0.00285397 0.00323591 -0.00193158 -0.02148757 0.01972123 -0.01432803 -0.00338492 0.00302278 -0.00198274 +C 8.77852636 7.68182431 5.75187892 0.00286612 -0.00338606 -0.00073719 0.00528169 -0.03284722 -0.00258637 -0.00315654 -0.00485757 0.00071856 +H 9.33579313 7.63011482 6.68258610 -0.00644883 -0.00510458 0.01474229 -0.04959142 0.01031797 0.02823088 -0.00054364 0.00576187 -0.01006598 +H 9.48085527 7.27588614 4.97987837 -0.02327505 0.01324599 -0.02101066 -0.15223368 0.01315104 -0.09736089 -0.00366119 -0.01881733 -0.01203625 +H 8.58929507 8.72725772 5.44498535 0.01024342 -0.02499361 -0.01725391 0.01268930 -0.05711508 -0.05065977 -0.00789263 0.01352825 0.00526969 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00859844 5.57798522 5.98543292 -0.00161808 -0.00338059 0.00477705 -0.01415329 -0.02169236 0.03098918 0.00124884 -0.00292332 0.00260587 +C 2.28128469 6.05913312 5.92872761 0.00239247 0.00562906 -0.00831685 0.00339144 0.08020967 -0.04248664 -0.00339901 0.01114068 -0.00508895 +H 0.26990780 6.02892113 6.41940195 -0.02348240 -0.01904187 0.02398429 0.06236740 -0.09364306 0.12318924 0.00677151 0.01110555 0.03297760 +C 2.65263217 7.42030691 6.38950643 0.00380037 -0.00493532 -0.00669438 0.00834700 -0.03836897 -0.04938929 0.00028947 -0.00282222 -0.00578808 +H 3.10736854 4.33305533 4.82007674 -0.00513692 0.01218895 0.00634228 -0.09618238 0.07176619 0.09393069 -0.01687605 -0.00835693 0.01148354 +C 3.99743194 7.86982857 6.37966624 -0.00206705 -0.00546157 -0.00595774 -0.01307952 -0.05628293 -0.04446089 -0.00051345 -0.00678807 -0.00502809 +H 1.89051677 8.15810942 6.67881732 0.03250653 0.02502814 0.01726131 0.19047801 -0.02841628 0.13741576 0.00085140 -0.02363688 0.02213389 +C 5.00596634 7.00958046 5.89411783 -0.00123729 -0.00261870 -0.00631906 -0.00429702 -0.00646544 -0.02763471 0.00104013 0.00113281 -0.00140793 +H 4.25440350 8.80340720 6.77151756 0.00463667 -0.02039255 0.00640748 0.00103230 -0.02661098 0.04869057 -0.01323852 -0.01781438 -0.00731412 +C 4.62492005 5.75474465 5.36965941 0.00514068 0.00186640 0.00127635 0.00971347 0.00872194 -0.00181817 0.00011878 -0.00104248 -0.00310015 +N 6.32197665 7.44394356 6.03042353 -0.00132280 0.00317801 0.00833638 -0.00968065 0.00670120 0.04571761 -0.00096545 -0.00186780 0.00483455 +C 3.26873542 5.31069169 5.31429146 0.00155747 0.00575785 0.00417089 0.04167097 0.03251641 0.02706006 0.00716548 0.00500778 0.00417139 +H 5.36850546 5.09642559 4.93149083 -0.02884157 0.02095758 0.00530787 0.01695804 -0.01852314 -0.03705548 0.02122797 -0.01479189 -0.00631330 +C 7.49014629 6.82741192 5.84664226 -0.00021960 -0.00660659 0.00238471 0.00014082 -0.01465862 0.03700589 -0.00141398 0.00484550 0.00833783 +H 6.43459279 8.42823099 6.31880480 -0.00232601 -0.02340540 0.01939447 -0.02151655 -0.03978802 0.18821081 -0.00371579 0.01020457 0.03043657 +O 7.65684478 5.65555281 5.51400847 -0.00411205 0.00908208 0.00063107 -0.03046243 0.04523770 -0.00343088 -0.00426296 0.00213347 -0.00209878 +C 8.71979785 7.66966481 6.21309272 -0.00214644 -0.00317694 -0.00359618 -0.00689076 -0.03196112 -0.02688489 0.00351324 -0.00387836 -0.00320758 +H 9.57107630 7.25277927 5.72729113 0.00759689 0.00830293 0.01086233 0.08369949 -0.01146936 0.02652276 -0.00486998 -0.00937916 0.00176550 +H 8.60232490 8.67140133 5.84082689 0.01597168 -0.02702849 -0.01112102 0.06405923 -0.00820910 -0.12340915 0.00000210 0.00253838 -0.01342078 +H 8.91194867 7.71429216 7.25419740 0.02236652 0.00248010 -0.00543483 0.07709520 0.00131478 0.00227189 -0.00993150 -0.00188539 -0.01457605 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98743653 5.80255288 5.85633949 0.00017027 0.00406869 -0.00498314 -0.00084171 0.02815088 -0.02843944 -0.00156709 0.00383165 -0.00280957 +C 2.33700104 6.06260036 5.97348415 -0.00797543 -0.00826972 0.00467212 -0.04638657 -0.04369469 0.05084527 -0.00113047 -0.00392444 0.00686830 +H 0.70452880 5.45267183 4.99215344 0.01421746 0.00425309 0.00452387 0.09508808 -0.00227106 -0.03459248 0.00901950 -0.00695538 -0.01917689 +C 2.82972659 6.66624120 7.17846372 -0.00747633 0.00622908 0.00104128 -0.03281536 0.02942264 -0.01647207 0.00029520 0.00249856 -0.00460208 +H 2.86790748 5.36353463 4.00841172 0.00805444 0.02245432 0.01269386 -0.04571877 0.01662103 -0.05498183 -0.00782942 -0.00677054 -0.00112166 +C 4.19749826 6.98499733 7.25624766 0.00507999 -0.00584021 -0.00357654 0.01782916 -0.02549002 -0.00406634 -0.00208771 -0.00145939 0.00401573 +H 2.14507014 6.89391131 8.01964877 0.02017583 0.01961873 -0.00860328 0.04949323 0.12635266 0.00232067 -0.01321680 0.01493041 0.01053762 +C 5.02392829 6.82315698 6.11933218 0.00071003 -0.00234569 0.01418825 0.01303583 -0.02703058 0.05096233 0.00437438 -0.00589166 -0.00332217 +H 4.60318128 7.45060247 8.11324780 0.03149771 -0.00204272 0.00547142 0.08587484 -0.06316785 -0.00598609 -0.01340956 -0.01618090 -0.01018506 +C 4.50572667 6.22180836 4.96451460 0.00675343 -0.00086400 -0.01168343 0.04901054 -0.00145014 -0.03135176 0.00734798 -0.00018889 0.00142250 +N 6.30585796 7.34257455 6.17032626 -0.00201206 0.00350671 0.00514036 -0.00334093 0.02534112 0.05585786 0.00008075 0.00296752 0.01041418 +C 3.19328173 5.78294883 4.92409336 0.00400801 -0.00377652 0.00109822 0.02142171 -0.01409447 0.00557289 -0.00015190 -0.00069550 0.00000356 +H 5.19403979 6.07250255 4.17105234 -0.02359019 -0.00147046 0.00631466 -0.04038210 -0.02442167 -0.20657195 -0.00491715 0.00507636 -0.02301057 +C 7.47502766 6.97810890 5.64700940 -0.00144061 0.00248547 -0.00028677 -0.04424064 0.00524495 -0.01955593 -0.00846788 0.00044461 -0.00420807 +H 6.50787779 8.01954498 6.87553223 0.00475189 0.00263235 0.01003819 -0.06798117 0.02499294 0.07865466 -0.01874620 0.00291502 0.00890482 +O 7.57416022 6.13894827 4.75186040 -0.00131058 -0.00308299 -0.00160037 -0.00348024 -0.01707365 -0.00473874 -0.00026489 -0.00162383 0.00037176 +C 8.60776985 7.70499767 6.24105132 -0.00065826 0.00331673 -0.00707646 0.01307475 0.04079111 -0.02330596 0.00393883 0.00278860 0.00009970 +H 8.45456225 8.82019613 6.21483248 -0.00195351 0.02990500 0.00228008 0.06979068 -0.04340509 -0.06835426 0.01560861 -0.00124721 -0.01530311 +H 8.72316507 7.53502416 7.28087860 0.02013246 -0.02683194 0.01437071 0.07357900 -0.17438196 -0.06837633 -0.00180415 -0.00898134 -0.03993725 +H 9.52064187 7.35268702 5.73760630 -0.01532221 -0.00487822 0.00531730 0.00335822 0.04428059 -0.04217696 0.01417593 0.01753000 -0.02003504 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98447017 5.65219248 5.91343971 0.00646251 0.00903769 0.00118415 0.02765330 0.05665954 0.00869123 0.00168800 0.00988689 0.00192236 +C 2.24190746 6.14374231 5.93649950 -0.00471609 0.00037352 -0.00074538 0.04275012 0.01325527 -0.01277790 0.01254101 0.00119590 -0.00339020 +H 0.96728090 4.71851304 5.69038280 0.00152618 -0.01528194 0.00901542 -0.00672194 0.08405658 0.10419447 -0.00463068 -0.00581489 0.01170788 +C 2.67472229 7.49178798 6.33257143 -0.00366200 -0.00758669 -0.00218663 -0.02446407 -0.06632475 -0.01206160 -0.00292528 -0.00478940 0.00179333 +H 2.97602211 4.36652090 5.04002641 -0.00744396 -0.01440171 -0.00375994 0.04528719 -0.06571202 0.06480648 0.01202220 0.00106609 0.01972384 +C 4.04391457 7.87858205 6.30938653 -0.00103367 0.00426978 0.00340101 -0.02978103 0.00314953 0.01537472 -0.00744969 -0.00419483 -0.00006407 +H 1.95214250 8.18474486 6.60209305 0.01644491 -0.00797274 0.02459378 -0.00458428 -0.01845320 0.16827527 0.00358211 -0.02800509 0.00332347 +C 5.03024784 6.92541498 5.91656746 -0.00108639 -0.00118458 -0.00181880 -0.00370976 0.03125431 -0.01633775 -0.00086632 0.00813123 -0.00251271 +H 4.25856449 8.89242471 6.59947868 -0.01314620 0.02303127 -0.00293646 -0.03921159 0.02015521 -0.04796908 0.00001001 -0.01717616 -0.00624579 +C 4.65073114 5.61135334 5.52661127 0.00862494 -0.00478508 0.00240407 0.03605001 -0.01488875 0.01426521 -0.00124720 0.00055810 0.00071537 +N 6.31637213 7.50559012 5.78000677 -0.00393798 0.00452866 0.00055451 -0.01999438 -0.00828959 0.01227105 -0.00017083 -0.00572858 0.00254686 +C 3.30970240 5.27381589 5.49432482 -0.00386823 0.00151726 -0.00362495 -0.05140322 0.00631764 -0.02328636 -0.00438564 -0.00076682 -0.00303261 +H 5.33406812 4.85966571 5.15675324 -0.01714600 -0.00002251 -0.00836688 0.04518603 -0.00890158 -0.06166051 0.02204181 0.00585071 0.00015852 +C 7.47172014 6.83942302 5.86702309 0.00294990 -0.00558785 -0.00010793 0.01079037 -0.02777792 -0.00986070 -0.00159761 -0.00177452 -0.00257621 +H 6.43601141 8.49923084 5.81424340 0.00497651 -0.00454531 -0.01221785 -0.05307037 0.02126416 -0.05124427 -0.01880557 -0.00682030 -0.00101542 +O 7.61581848 5.61795964 5.73934620 0.00823332 -0.00594306 0.00006113 0.05568177 -0.03408862 0.00389214 0.00750369 -0.00343728 0.00103408 +C 8.67730958 7.73834800 6.13803099 -0.00830735 0.00094052 -0.00012017 -0.05831673 0.01861082 -0.00208203 -0.00477761 0.00441402 -0.00200911 +H 8.44301221 8.75074757 5.94697132 -0.01751804 0.04202997 -0.00301958 -0.03608505 0.03935072 0.02133191 0.00464379 -0.03693303 0.00588990 +H 8.95755028 7.56690352 7.18034792 -0.01540960 0.00994659 0.00118740 -0.09316908 0.11242701 0.02014164 -0.01044805 0.01752923 0.00290818 +H 9.48682129 7.43574261 5.56809550 0.00143545 -0.00132916 0.00138288 0.02793551 0.00653463 -0.03086376 -0.02433586 0.01448835 0.01321444 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97676525 5.82464028 5.81158872 -0.00495876 0.00234391 -0.00071104 -0.04055045 0.00954151 -0.00546341 -0.00448164 0.00188396 0.00052508 +C 2.28396456 6.11638414 5.92175107 0.00222711 -0.00707879 0.00433790 0.01124382 -0.02525567 0.02111182 -0.00038739 0.00045487 0.00212653 +H 0.70735479 5.07357410 5.24155714 -0.00855372 0.01503434 -0.02334488 0.01509700 0.14131253 -0.12014009 0.00116378 -0.00035538 -0.03275295 +C 2.63340819 7.43268741 6.25938187 -0.00246980 0.00024869 0.00048941 -0.02285246 0.01143275 0.02221813 -0.00126533 -0.00176383 0.00465222 +H 2.89359291 4.20011476 5.32535201 -0.01585872 0.00522770 -0.01192712 0.08848408 0.02482086 -0.15035960 0.03436501 -0.00949052 -0.02505641 +C 3.98303829 7.81744530 6.42992542 -0.00284929 0.00411870 -0.00219895 -0.02580514 0.00702680 -0.02882404 -0.00257241 -0.00244838 -0.00579610 +H 1.85984069 8.21880713 6.47141468 -0.01974815 0.01166235 0.02303760 -0.00143343 -0.13123001 0.07942985 -0.01386286 -0.01147151 0.00857815 +C 4.99449866 6.86323058 6.09754154 0.00372965 0.00208551 -0.00228181 0.02572246 0.03842466 -0.01407834 0.00161849 0.00615751 -0.00285360 +H 4.07165023 8.87688260 6.73237081 -0.01019397 -0.00331080 -0.00654448 0.10395174 -0.03786678 -0.01872965 0.03178519 0.00370329 0.00418780 +C 4.61910435 5.61829675 5.62415803 -0.00145102 0.00322537 -0.00665088 -0.00320278 -0.01191665 -0.05770846 0.00294333 -0.00285823 -0.00761493 +N 6.32871823 7.26465722 6.17476819 0.00677032 0.00363219 0.00130255 0.03333460 0.04470435 0.01847841 0.00064164 0.01026997 0.00443503 +C 3.26647774 5.20961896 5.53875969 0.00899621 -0.00790038 0.00595575 0.03552848 -0.04579099 0.05320587 -0.00000379 -0.00397699 0.00785573 +H 5.28750011 4.84614695 5.25481425 -0.00446062 -0.00037981 -0.01471146 0.07697382 0.07564286 -0.03157201 0.02521399 0.01243900 -0.00123894 +C 7.53574895 6.81751400 5.80302353 -0.00483450 0.01110699 0.00498256 -0.01129160 0.03511659 0.02071192 0.00343105 -0.00579679 -0.00114392 +H 6.52263619 8.12504519 6.62902887 0.01443000 0.00571142 -0.00385396 -0.04510443 0.09439301 -0.01817767 -0.02330651 0.01054828 -0.00555689 +O 7.77141435 5.71584890 5.32884312 0.00063888 -0.00705860 -0.00193266 -0.00086684 -0.02563678 -0.00515655 -0.00157514 0.00197756 0.00145874 +C 8.63392385 7.90187972 6.03969147 -0.00171438 -0.00691859 0.00252546 -0.00610366 -0.04916748 0.00047277 0.00018214 -0.00727330 -0.00230389 +H 8.28988492 8.68508587 6.78023372 -0.01057055 -0.01228602 -0.00263772 -0.02913337 -0.06685683 -0.09275403 -0.00266660 0.01139100 -0.00111369 +H 9.56670987 7.50248274 6.46473511 0.00933875 0.00750493 -0.00102188 -0.00706613 -0.02274403 -0.02838755 -0.00417830 -0.01761832 -0.00219468 +H 8.88139054 8.29793099 5.04292606 0.00063262 0.00845147 -0.02044496 -0.04620435 0.03496479 0.08860337 -0.00831710 0.00543958 0.02253911 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.90526237 5.72417987 5.73008685 0.00368035 -0.00437211 -0.00163470 0.04039316 -0.02932184 0.00246201 0.00793963 -0.00400353 0.00104528 +C 2.27147657 5.94102971 5.81279903 0.00008516 0.00417848 0.00010367 0.00948366 0.03496900 -0.01364878 0.00295358 0.00575076 -0.00397461 +H 0.53906851 5.67854856 6.63643551 0.02275115 0.00242307 0.00278155 0.07938050 0.03678741 -0.00700362 -0.01048877 0.00689724 0.01755399 +C 3.11039084 5.42923565 4.80968467 0.00264510 0.00291990 0.00744312 0.00701759 -0.00549841 0.02205647 -0.00050006 -0.00211033 0.00147683 +H 2.41901179 7.32619247 7.60182633 -0.00280588 -0.04717152 0.03136538 -0.05610750 -0.32881767 0.03214404 -0.02494215 -0.02026818 0.00736963 +C 4.49067532 5.63047063 4.73349695 -0.00213973 0.00552056 0.00046580 -0.01614146 0.05233639 -0.00846956 -0.00257329 0.00735483 -0.00396259 +H 2.77119789 4.81287211 3.93705462 0.00155840 -0.01375283 0.00833379 -0.09730785 -0.01554223 0.19072352 -0.03487978 -0.01443735 0.01165101 +C 5.14308503 6.47937287 5.65693454 -0.00438562 -0.00342805 -0.00244628 -0.01922170 -0.01854297 -0.01550223 0.00104895 -0.00017659 -0.00170537 +H 4.95039617 5.33754458 3.80340442 -0.00513745 0.00847547 -0.00553413 0.04177704 -0.04139032 0.05947624 0.01362898 -0.01739629 0.02003324 +C 4.29578599 7.07894320 6.65099176 0.00148374 -0.00114704 -0.00212969 0.01669574 -0.00629827 -0.01492268 0.00025079 -0.00093227 -0.00208694 +N 6.53121395 6.67416977 5.45303039 0.00133204 -0.00344694 -0.00598573 -0.00208607 -0.01831229 -0.04314917 -0.00163148 -0.00125440 -0.00417292 +C 2.91972132 6.79332155 6.74049387 -0.00362922 0.00496752 -0.00392937 -0.02589793 0.03271405 -0.00421649 -0.00094452 0.00185662 -0.00002157 +H 4.72213057 7.79801159 7.36830097 -0.00877080 0.00463122 -0.00499621 -0.03627726 -0.02161645 -0.01951511 0.01020398 -0.00223930 0.01040878 +C 7.41856021 7.35760821 6.18351056 0.00091963 0.00259738 0.00742380 0.00434607 0.00032119 0.03537197 -0.00165951 -0.00375879 -0.00016731 +H 6.85715778 6.30628726 4.59417094 -0.00246998 -0.03206479 -0.01397647 0.02239436 -0.15207809 0.03071878 0.00858979 -0.00665102 0.02320238 +O 7.07716278 7.83778073 7.24203584 0.00224691 0.00252135 -0.00016456 0.01722238 0.03074560 0.01606815 0.00239947 0.00629402 0.00505262 +C 8.92039912 7.43160856 5.78212888 -0.00421685 0.00058205 0.00041176 -0.04795929 -0.01147148 -0.00378395 -0.00669632 -0.00597820 0.00038141 +H 9.02667832 6.56037106 5.15847593 -0.01586414 -0.00611049 0.00461070 -0.02706041 0.00842774 -0.05630460 0.00404849 0.01624905 -0.01785695 +H 9.14209145 8.34196910 5.19961732 0.01357573 0.01022076 0.00395806 0.08247376 -0.01482908 0.11007583 0.00853776 -0.00411477 0.02130759 +H 9.57616710 7.27609082 6.60354114 -0.00535054 -0.04230165 -0.00230259 -0.04067989 -0.17480621 0.00228645 -0.01937057 -0.00086625 -0.01259609 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99270723 5.62131593 5.95485246 -0.00038247 -0.00322208 -0.00332194 0.00030605 -0.00435810 -0.04070906 0.00180708 0.00093548 -0.00715278 +C 2.32715751 5.93195003 5.94138904 -0.00143475 0.00852216 -0.00271664 0.00598979 0.04723489 -0.00690715 0.00132634 0.00282112 0.00229352 +H 0.53138660 6.23683814 5.41831112 -0.01620622 0.01270858 -0.01124800 -0.06760139 -0.05854127 0.00915987 -0.01553680 -0.01003934 -0.00257563 +C 3.09776588 5.41793817 6.98344977 -0.00166344 -0.00284735 0.00326082 -0.01148506 -0.01490040 0.00882616 0.00001951 0.00012621 -0.00183208 +H 2.39676946 7.03027451 4.06343078 0.00770467 0.00735277 0.01539332 0.05835939 0.11250177 0.04381115 -0.00726062 0.02517382 -0.01981244 +C 4.45216081 5.76284536 7.05340950 0.00463773 0.00338451 0.00362006 0.01741993 0.02083564 0.03651739 0.00078473 0.00209618 0.00606522 +H 2.62386620 4.74918663 7.68735285 -0.01166507 -0.02383389 -0.00295745 0.01174937 -0.06455257 -0.04135545 0.01075275 0.00359139 -0.00461161 +C 5.05473926 6.67962230 6.19180728 0.01187854 0.00231978 -0.00799081 0.06664128 -0.01799051 -0.04110950 0.00355387 -0.00848321 -0.00169298 +H 4.97554586 5.32694375 7.87248778 -0.00551054 -0.00631826 -0.00179121 0.05323515 -0.02847566 0.02860876 0.01133825 0.00645658 -0.00083448 +C 4.37578337 7.08775531 5.04692030 -0.00572920 -0.00428647 0.00258585 -0.05358716 -0.01254409 0.00801203 -0.00847088 -0.00203607 0.00231222 +N 6.38248883 6.89068067 6.45228329 0.00197879 -0.00016234 0.00857296 0.02553441 0.00998431 0.04927444 0.00630391 0.00303122 0.00574692 +C 3.01218046 6.72213721 4.94507899 0.00093757 0.00081327 -0.00157632 -0.02523058 -0.00285706 -0.00323694 -0.00656205 -0.00083840 0.00177896 +H 4.78416436 7.82292955 4.26120464 -0.04010742 -0.01589303 -0.00922059 -0.14674063 -0.16727442 -0.02353026 0.01817048 0.00334232 -0.03028026 +C 7.37197887 7.30757425 5.64739376 0.00353868 -0.00151023 0.00586887 0.02001331 0.00506381 0.04415946 0.00028775 0.00428760 0.00304534 +H 6.61559879 6.65976224 7.38971963 -0.00937935 0.00224891 0.01290824 0.02278792 -0.00141177 0.06711154 0.01142500 0.00035037 -0.00503430 +O 7.28202680 7.76564055 4.53565339 -0.00421416 -0.00080797 -0.00180396 -0.03538196 -0.00890814 -0.01431824 -0.00548758 -0.00238844 -0.00035548 +C 8.73916138 7.23141814 6.28833216 -0.00133430 0.00212715 -0.00470102 -0.00090397 -0.00905564 -0.04358030 0.00379015 -0.00100708 -0.00372342 +H 9.50943757 7.42933153 5.56641825 0.00899366 -0.00076836 0.00862846 0.06801685 0.09573907 0.02342087 -0.00383426 0.01548036 0.00037309 +H 8.78059395 7.80987902 7.15112041 0.01507932 -0.00262906 -0.00528716 0.12248132 -0.01789364 0.05774771 0.00764844 -0.02512715 -0.01421084 +H 8.88946013 6.14384096 6.41605448 -0.03250514 -0.00820172 -0.02454476 -0.14508746 0.01362213 -0.00823796 0.00091775 -0.00214024 0.01803338 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96608399 5.65770555 6.01700724 -0.00029982 0.00110080 -0.00399634 0.01494078 0.02055914 -0.03158400 0.00404968 0.00286313 -0.00572608 +C 2.26963366 6.16032879 5.89458845 0.00429617 -0.00290489 0.00113473 0.02266506 -0.03818701 0.00508877 0.00273471 -0.00413442 0.00179727 +H 0.81312840 4.83320167 5.65700515 0.00020275 -0.00137831 -0.00207481 0.02739489 -0.01316556 -0.01890834 0.01036979 0.02126655 0.00701401 +C 2.63903702 7.39113542 6.39783198 0.00388368 0.00501677 0.00289164 0.04258116 0.02774862 0.02087437 0.00525443 0.00117482 0.00221609 +H 2.99540659 4.42103472 4.87810239 0.00038773 0.00619638 -0.00793356 0.07072179 -0.04237424 0.00648061 0.01790931 -0.01099297 0.01314548 +C 4.03433293 7.77805779 6.39035467 0.00699804 -0.00069697 0.00396587 -0.00392961 0.02279218 0.04764234 -0.00728234 0.00638094 0.00815353 +H 1.84203120 7.94039411 6.86677980 0.00183215 0.00956842 -0.02310684 0.05458277 0.16967803 -0.10537227 0.02030313 0.02548546 -0.00833824 +C 5.02754062 6.97056386 5.87976590 -0.00665057 0.00625910 -0.00175841 -0.04029369 0.02656423 -0.02103467 -0.00427301 -0.00056996 -0.00416513 +H 4.32427986 8.69865092 6.91837858 -0.01288824 0.00123374 0.00017030 -0.06713383 0.06177319 -0.06061653 0.00048837 0.02681189 -0.00884821 +C 4.64419364 5.75882147 5.40044306 0.00516819 0.00260141 0.00180585 0.01176290 -0.03551085 0.00009179 -0.00102733 -0.01160003 -0.00153646 +N 6.29709083 7.43371487 5.77193314 -0.00921147 -0.00583812 0.00139085 -0.03283630 -0.02440820 0.02233969 0.00120456 0.00084903 0.00487288 +C 3.29330448 5.34113489 5.34725823 0.00398302 -0.00376152 0.00127436 0.01697196 -0.01382142 0.01085380 0.00123549 -0.00211658 0.00116220 +H 5.33871045 5.02219255 5.10876143 -0.00836285 -0.02207535 0.01290837 0.03939590 -0.05190907 -0.01776875 0.00853807 0.01917970 -0.01244039 +C 7.48566968 6.80985587 5.90271416 -0.00320594 -0.00417033 -0.00038860 -0.00634889 -0.00883846 -0.01107521 -0.00064714 0.00279765 -0.00252897 +H 6.31254816 8.40799869 5.68492800 0.00061454 -0.00094285 0.00569219 0.04892995 0.00300400 0.09269578 0.00738655 -0.01757682 0.02103928 +O 7.66930045 5.56879951 5.74633425 0.00106826 0.00174283 -0.00083454 0.00608245 0.02800712 0.00210180 0.00086969 0.00496195 0.00117843 +C 8.70466883 7.82029633 6.15274598 -0.00024285 0.00243041 -0.00292256 -0.04925114 -0.01797012 -0.00719485 -0.00963712 -0.00815177 -0.00703617 +H 8.47835137 8.57806476 6.98411865 -0.00633710 0.01614562 0.00690801 0.01969817 -0.07916368 -0.08674498 0.00232411 -0.00650085 0.00818307 +H 9.55542216 7.22026820 6.42124832 -0.02231860 -0.02262603 -0.01892755 -0.04133887 -0.09969747 -0.08563127 -0.00234410 0.00707394 -0.00429633 +H 8.85918134 8.32539643 5.27600490 -0.00688336 -0.00701524 0.01218437 0.03996706 0.06371792 -0.10576295 0.00276300 -0.00748020 0.01209712 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98362269 5.74294517 5.91247965 -0.01165015 -0.00133326 -0.00475029 -0.06360294 -0.01481583 -0.02930752 -0.00557479 -0.00157607 -0.00606513 +C 2.33779868 5.90729263 5.93883006 -0.00214776 0.00088545 0.00184018 -0.01699505 0.02850588 0.00942629 -0.00315275 0.00691906 0.00109405 +H 0.50441958 6.05782898 5.16699614 0.02707338 -0.01112768 -0.00457504 0.12565841 -0.02393324 -0.16668913 0.01716470 -0.01091818 -0.00489994 +C 2.97621399 5.60486490 7.17213272 0.00560238 0.00443559 0.00223818 0.05041645 0.03426668 -0.01160055 0.00464538 0.00382717 -0.00413749 +H 2.51585112 6.83882345 3.88469837 0.01388587 -0.00361068 -0.00976439 0.10846799 -0.08006191 0.04245580 -0.00381079 -0.00765909 -0.01228322 +C 4.39138845 5.94302466 7.19535338 0.00720039 -0.00449324 0.00264470 0.01174744 -0.04804691 0.03989688 -0.00119230 -0.00649492 0.00640817 +H 2.45267739 5.11800180 7.92964706 -0.03261879 -0.00217361 0.01558942 -0.01226015 0.07939209 0.00325705 0.03852490 0.03025878 -0.02307306 +C 5.04299227 6.66507436 6.21335240 0.00005307 -0.00894624 0.00061191 0.03394535 -0.05137160 -0.00779273 0.00683728 -0.00674385 -0.00150603 +H 4.98932875 5.53524405 8.02652029 0.00094571 0.01332942 -0.00365646 -0.00511413 0.11834641 0.09875394 -0.00091772 0.01186911 0.03574954 +C 4.39466830 6.96496063 4.99933967 0.00748742 0.00427351 0.00357877 0.02574176 0.00864301 0.01996954 -0.00222032 -0.00333193 0.00316062 +N 6.41254639 6.93546456 6.47351157 -0.00183340 -0.00075897 -0.00091019 -0.03267809 -0.02127420 -0.01411783 -0.00293654 -0.00478349 -0.00174534 +C 3.04149249 6.55637925 4.84615933 0.00148691 0.00336970 0.00138924 0.00829480 0.02299925 0.02556836 0.00303424 0.00227730 0.00860641 +H 4.96060105 7.42083395 4.16218168 0.01293136 -0.02041697 -0.00982036 -0.03151667 -0.08315056 -0.00022225 -0.00552512 0.00827712 -0.00635278 +C 7.40305841 7.24354356 5.64755063 -0.00066448 -0.00008453 -0.00126027 0.01538698 0.01360971 -0.01944097 0.00220573 0.00331198 -0.00256362 +H 6.62030000 6.58616501 7.38841970 -0.01791840 0.00516309 -0.01654696 0.05405996 0.09166290 0.04179069 0.01970847 0.02483773 0.00410177 +O 7.24754190 7.44442615 4.42627124 -0.00262869 0.00064304 0.00108265 -0.01098197 0.00323813 0.01538561 -0.00038896 0.00050939 0.00209602 +C 8.83589051 7.40378114 6.26625333 0.00336241 0.00127479 -0.00309863 -0.01542665 0.02825412 -0.03295828 -0.00777270 0.00405036 -0.00262174 +H 8.71113041 7.61477665 7.30618454 -0.01635974 0.01393172 -0.01610135 -0.05341679 0.05489889 -0.00063029 0.00303886 -0.00139112 -0.00368866 +H 9.42296054 6.48048935 6.10384049 -0.02230169 0.01184461 0.00898753 -0.03072760 0.00142487 0.05426195 0.00955411 -0.01021786 0.00686094 +H 9.29338795 8.34243922 5.81293197 0.01979555 0.00604178 0.01208916 0.13495373 -0.11840822 0.06929127 0.02931104 -0.00711590 -0.00973686 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.07361044 5.65740866 6.00351692 0.00709999 -0.00533755 -0.00205724 0.03844362 -0.02870798 -0.01314796 0.00379885 -0.00243131 -0.00139342 +C 2.32662662 6.13486665 5.84328064 0.00695718 0.00647498 0.01089926 0.03341567 0.01381760 0.06925178 0.00223751 -0.00443508 0.00748830 +H 0.51131521 6.24552567 6.42606886 -0.00518476 -0.01132836 0.02039955 0.01838775 -0.13523094 0.08657616 0.01207495 -0.02840885 0.00359080 +C 2.63605512 7.42639841 6.27802485 -0.00006723 -0.00213830 -0.00185954 0.03464613 0.01522638 -0.01106557 0.00226535 0.00957299 0.00000201 +H 2.90211313 4.27476099 5.00781142 0.00035775 0.01666418 -0.00864979 0.11890099 0.06588403 -0.08226990 0.01817252 -0.01972569 -0.02054961 +C 4.00773456 7.85937500 6.37498155 -0.00052794 0.00231793 -0.00214235 -0.04467050 0.00911952 -0.02048642 -0.00841271 0.00009880 -0.00422288 +H 1.93811493 8.13030046 6.51257714 0.00990416 -0.00825182 -0.02993688 -0.13039263 0.03264378 -0.08242512 0.00231677 -0.01862459 -0.00352302 +C 4.98181057 6.93466604 6.01793310 -0.00620301 0.00458727 0.00621911 -0.02865304 -0.01026655 0.01793417 -0.00153990 -0.00663018 -0.00104515 +H 4.21879787 8.88079455 6.72039566 -0.00655193 0.01021406 -0.03174511 -0.01510167 0.01681002 -0.16668148 0.00168965 0.00499723 -0.00952756 +C 4.63370962 5.68009742 5.37515408 -0.00964632 -0.00012303 -0.00374936 -0.03285980 0.01601776 -0.00007179 -0.00081602 0.00681136 0.00493745 +N 6.27012576 7.32449246 6.28985766 -0.00181501 -0.00622418 -0.00215372 0.00707535 -0.02329408 -0.02509295 0.00312941 0.00155107 -0.00386627 +C 3.29475469 5.26776242 5.35395226 0.00208689 0.00271339 -0.00374040 -0.00303552 0.02727253 -0.02239005 -0.00221639 0.00685062 -0.00175213 +H 5.39636517 4.94183093 5.02011113 0.00657154 -0.00380139 0.00953368 -0.05509281 0.07607112 0.07918274 0.00352405 -0.00094277 -0.00173314 +C 7.46430644 6.82467076 5.88556955 -0.00261814 0.00155704 0.00261053 -0.00145789 -0.01074488 0.00820579 0.00198058 -0.00447738 -0.00066798 +H 6.34871736 8.22848945 6.63086429 0.02039961 0.00468110 -0.00867739 0.07985304 -0.00753194 -0.00461241 -0.00409994 -0.02540255 -0.00024281 +O 7.64226508 5.71186191 5.32971201 -0.00309672 -0.00110170 -0.00057735 -0.02528780 0.01191577 0.00605622 -0.00385226 0.00379906 0.00200773 +C 8.69811675 7.75155684 6.12313843 0.00240129 0.00026237 0.00068044 -0.00757863 -0.02178967 0.00176562 -0.00279598 -0.00543494 0.00210169 +H 9.54173043 7.14547630 6.46469807 -0.01224508 0.01242602 -0.01040392 0.02135860 -0.02363622 -0.01846211 0.00985655 -0.01768727 0.00238091 +H 8.97439155 8.16429950 5.11265369 0.01351358 -0.00636065 0.02562775 0.10200427 0.07464736 0.12137440 0.01382884 0.02650467 -0.00824542 +H 8.47277792 8.48077056 6.89722810 0.02568085 -0.01204896 -0.00066440 0.15104249 0.02998728 0.01447967 0.01078490 0.00795202 0.00030545 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96849595 5.77144199 5.68339073 -0.00461859 -0.00340919 0.00114939 -0.01716045 -0.01633072 0.01334620 0.00017182 -0.00037282 0.00264351 +C 2.28562309 6.13594372 5.87318153 -0.00285177 0.00641453 -0.00033410 -0.00616660 0.00767106 0.00640594 -0.00145609 -0.00645987 0.00130782 +H 0.84328439 4.80233046 5.69858700 -0.00346551 0.00732236 -0.00915056 -0.03041967 -0.00233109 -0.08336341 -0.00471401 -0.01790574 -0.01383217 +C 2.61699763 7.48422889 6.18830279 -0.00784927 -0.00501544 -0.00458183 -0.02750290 -0.05048445 -0.03681021 0.00141052 -0.00290048 -0.00449776 +H 3.08490987 4.17421973 5.66462760 0.01397204 -0.00854703 -0.01638365 0.12179715 -0.02748252 -0.02898375 0.01616412 0.02579579 0.01485928 +C 3.94582130 7.82328781 6.28074243 0.00242088 -0.00535281 -0.00139260 0.03681403 -0.03768776 -0.01504439 0.00422707 -0.00349892 -0.00148050 +H 1.87113284 8.22741869 6.34462504 0.03690619 -0.01415112 -0.00177781 -0.01860676 0.05989553 -0.02093318 -0.01941494 -0.00148855 -0.00934201 +C 5.04806155 6.89331241 6.05037716 0.00628798 0.00083845 -0.00164325 -0.00818708 0.01795146 -0.00225307 -0.00552271 0.00301190 0.00066757 +H 4.08815475 8.88054970 6.41479782 0.00736059 -0.01625743 0.02734529 0.13299682 -0.08789719 0.21525448 0.02194029 -0.01686852 0.02322476 +C 4.73132177 5.53132927 5.82168791 -0.00172717 0.00064333 -0.00112342 -0.00360867 0.02543275 0.01040777 0.00210650 0.00514907 0.00380960 +N 6.30777647 7.38640902 6.25262326 0.00059798 0.00264360 -0.00196564 0.01687608 0.02456242 -0.00105588 0.00191721 0.00494144 0.00209878 +C 3.36896453 5.15405246 5.85513981 0.00274941 0.00556935 0.00712264 -0.01861195 0.04221140 0.01562150 -0.00613861 0.00292692 -0.00337225 +H 5.49956489 4.84024946 5.74120840 0.02423132 0.01530026 0.00753029 0.05490028 0.00296178 0.01324127 -0.03286153 0.00342951 -0.00160340 +C 7.48584869 6.88565861 5.78647457 -0.00766307 0.01076851 0.00553078 -0.04119431 0.04949022 0.00114360 -0.00068135 -0.00089382 -0.00767179 +H 6.34229480 8.14720882 6.89118068 0.01156606 0.00966445 0.00830228 0.09056347 0.04358972 -0.03914335 0.00992223 0.00378988 -0.01705601 +O 7.52984279 5.93601005 5.02537420 0.00157674 -0.00338831 -0.00421583 0.01417223 -0.00910068 -0.01823699 0.00172796 0.00266773 0.00032941 +C 8.76220546 7.62645414 6.19000431 0.00039586 -0.00561719 -0.00053604 0.00298457 -0.04745302 0.01706758 0.00122369 -0.00623633 0.00393210 +H 8.95365658 7.11188152 7.15333733 0.01157637 -0.00768589 0.01704545 0.10057046 0.11384868 0.00698145 0.01675739 0.02177195 0.00321495 +H 9.63242497 7.50123499 5.57771878 0.02414897 -0.00787645 0.00107219 -0.00326316 -0.08247215 -0.00837274 -0.03127634 -0.01520374 -0.00039025 +H 8.50424665 8.69283680 6.27110595 0.01182554 -0.00490322 0.00575154 0.14453382 -0.04275836 0.07886070 0.02425210 -0.00234307 0.01162054 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99618177 5.67010602 5.86779160 -0.00619280 0.00110763 0.00344463 -0.02505472 0.02334145 0.02978499 -0.00088871 0.00379525 0.00511835 +C 2.29137135 6.14052726 5.95990810 0.00019777 0.00035950 0.00091897 -0.02098349 -0.00261980 -0.00513008 -0.00564683 -0.00081663 -0.00187515 +H 0.98904389 4.79502420 6.26740245 0.01958371 0.00885501 -0.03412542 0.04150959 -0.07471779 -0.23689295 -0.01069252 -0.00669192 -0.03750007 +C 2.59612057 7.50258345 6.20406739 -0.00297961 -0.00298849 0.00648409 0.00561856 -0.03558056 0.01615307 0.00273057 -0.00379796 -0.00200185 +H 3.07002704 4.24039371 5.25025534 0.00738255 0.02291116 -0.01063524 -0.00734981 0.03970578 -0.08812151 -0.00775805 0.00033815 -0.00731364 +C 3.95821901 7.86234331 6.12817170 -0.00356066 -0.00019721 -0.00623053 0.00570962 -0.00143631 -0.02223500 0.00359563 -0.00259619 -0.00007689 +H 1.88291636 8.27820288 6.22901764 0.01544513 -0.00319477 -0.02710567 -0.05663129 -0.00682426 -0.00764575 -0.00774056 -0.02170667 0.02610046 +C 5.06164466 6.95115240 5.86695724 0.00616284 -0.00422166 0.00102630 -0.01750307 0.00275573 0.00589808 -0.01007851 0.00420774 -0.00021477 +H 4.15398045 8.92391263 6.37428583 0.00148955 0.00052530 0.01262809 0.02843596 -0.06289068 -0.01255927 0.00935084 0.00795602 -0.01121042 +C 4.65148973 5.66013763 5.48588862 0.00953632 -0.00137676 -0.00116286 0.06330065 -0.02997629 -0.01375409 0.00263490 -0.00287203 -0.00024957 +N 6.36227116 7.46733233 5.86776256 -0.00752297 0.00164901 -0.00175757 -0.04320797 0.02194208 -0.01677487 -0.00073705 0.00131958 -0.00225774 +C 3.31180062 5.24632835 5.55467436 -0.00373236 0.00397252 -0.00022220 -0.00259514 0.03554783 0.00001161 0.00481053 0.00368154 -0.00128208 +H 5.38590386 4.90977996 5.06340301 0.01336844 -0.01144432 -0.01587501 0.01227503 0.04644186 0.02314120 0.02327799 -0.00964342 0.00290621 +C 7.50853563 6.86078337 5.95817465 0.00439305 -0.00230460 0.00625443 -0.00188070 -0.04641799 0.03377567 -0.00734253 -0.00525354 0.00235556 +H 6.35849813 8.48901239 5.73643801 0.03307158 -0.00119676 -0.01816614 0.18911174 -0.03715760 -0.05179122 0.00677990 0.01049357 0.00026304 +O 7.53749658 5.60249586 5.94558193 0.00130636 0.00103389 0.00053473 0.02622254 0.01703018 0.00860516 0.00610577 0.00147019 0.00205357 +C 8.73984668 7.71391657 6.08026204 -0.00434278 -0.00045686 -0.00149731 -0.00862384 0.00080615 -0.02682456 0.00314046 0.00136260 -0.00376711 +H 9.39229290 7.53496353 5.25150953 0.02886574 0.00424568 -0.00135058 0.07423627 0.03240568 0.02560580 -0.01224288 0.00270589 0.01031241 +H 8.46788364 8.74185631 6.08637829 0.00962742 0.01192303 0.00528426 0.07788488 0.05674771 0.06239332 0.00978949 -0.01498942 0.00871795 +H 9.30900205 7.43312527 6.94350273 -0.01435509 -0.00357471 -0.01577301 -0.05216831 -0.02282516 0.05388332 -0.00997780 0.00212870 0.01000675 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97490435 5.69076338 6.00247491 -0.00298042 0.00272617 -0.00269081 -0.02952243 0.02892560 -0.03102055 -0.00364849 0.00489188 -0.00395151 +C 2.26221771 6.05842615 5.99763795 -0.00406789 0.00599947 0.00168851 0.01900555 0.02542431 -0.00034308 0.00816909 0.00049670 -0.00286879 +H 0.60217174 6.00253211 5.15465014 -0.01610207 0.00133940 -0.00061278 -0.15441310 -0.03133204 0.04730849 -0.03504626 0.00167942 -0.01383003 +C 3.01580532 5.62764711 7.09684209 0.00979287 -0.00364990 -0.00436477 0.04734442 -0.01599481 -0.04052980 0.00103628 -0.00194387 -0.00443465 +H 2.42008951 7.01479153 4.04656410 0.00671885 -0.00434334 -0.00118438 0.04059728 -0.07751344 -0.05599943 0.01103016 -0.02323065 -0.00408074 +C 4.39516931 5.82364907 7.11938830 0.00210375 0.00089135 0.01245643 0.02515249 0.00296044 0.09263172 0.00638216 0.00066840 0.00991920 +H 2.55722414 5.13736377 7.94071275 -0.00642457 0.00477927 -0.03906796 -0.09997788 -0.04945469 -0.11644443 -0.00655253 -0.01195564 -0.00300053 +C 5.11754686 6.43750820 6.10323022 -0.00449047 -0.00378778 0.00365049 -0.01781125 -0.00769442 0.00104750 -0.00120804 0.00094215 0.00013132 +H 4.83130677 5.52430749 8.07985914 0.01095688 -0.00534419 -0.00565109 0.16348432 -0.06598187 -0.01887093 0.02848649 -0.01405840 0.00953814 +C 4.38496404 6.85954864 4.94191286 0.00333516 0.00849931 0.00743523 -0.00716606 0.05189261 0.06068947 -0.00668831 0.00423796 0.01023874 +N 6.50289367 6.64315561 6.28207214 -0.00187536 0.00028943 -0.00246467 -0.05117146 -0.01600246 0.00102089 -0.00960847 -0.00377779 0.00202746 +C 2.96417861 6.64361187 4.88532861 0.00533285 -0.01199999 -0.00572158 0.03531527 -0.06986630 -0.01687316 0.00392713 -0.00625694 0.00011304 +H 4.84132155 7.48474081 4.11238787 -0.02019873 0.01111868 0.01593876 -0.03339039 0.00835799 0.10100867 0.02396421 0.01034774 -0.01003742 +C 7.42198943 7.29832048 5.63376306 -0.00534824 -0.00020573 0.00155709 -0.00830246 0.02263661 -0.00020834 0.00169692 0.00578803 -0.00161419 +H 6.77087617 6.23434734 7.17573947 -0.01608886 -0.00974143 -0.02032845 0.03547632 -0.07300872 -0.05106019 0.01936639 -0.00980989 0.00421606 +O 7.26906676 7.83371892 4.55539387 -0.00193986 -0.00018186 -0.00550279 -0.01452699 -0.00102256 -0.03973959 -0.00198361 -0.00033743 -0.00494979 +C 8.74395830 7.44535698 6.38954103 0.00459726 0.00357854 -0.00135401 0.03250556 0.00234096 0.00013470 0.00397351 -0.00363568 -0.00004567 +H 8.56580759 7.46488839 7.47514513 0.00314441 -0.00804267 0.00685510 0.04171654 -0.07521067 -0.02833060 0.00504497 -0.00991092 -0.00253180 +H 9.41923575 6.66503573 6.11785513 0.01034506 -0.00982992 0.00540815 -0.01434169 -0.08390295 0.05975321 -0.01607109 0.00005053 0.00888948 +H 9.40531035 8.30816351 6.18708384 -0.00231111 -0.01630121 0.02006578 -0.07082462 0.08813032 0.02110797 -0.01331922 0.03355902 -0.01235833 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.15443901 5.69707183 5.88534730 0.00105412 -0.00019127 -0.00114823 0.00357435 -0.00535192 -0.00199422 0.00018342 -0.00155808 0.00114864 +C 2.40653111 6.14135074 5.77649631 0.00613083 0.00202216 0.00027027 0.01557794 0.00587017 0.02947063 -0.00109978 -0.00005281 0.00789400 +H 1.15503506 5.19718124 6.64713398 0.01272053 -0.00563278 0.00820764 -0.03344105 -0.04312644 -0.01463088 -0.02154754 0.00009373 -0.02206298 +C 2.68980978 7.17154345 4.91480338 0.00570694 -0.00389979 0.00326540 0.06491188 -0.01840397 -0.00649700 0.00896485 -0.00176070 -0.00504194 +H 3.11074157 4.97386156 7.53631234 -0.01245796 -0.01100020 0.01016523 -0.08683512 -0.01319991 -0.08738206 -0.01225026 -0.00927537 -0.00920217 +C 4.05818815 7.54965461 4.83896303 0.00313155 -0.00053003 -0.00485072 0.00376146 0.00155164 -0.04236992 0.00011728 0.00112689 -0.00529973 +H 2.00570734 7.55152865 4.19259503 0.00051248 0.00279544 0.00622895 -0.03414405 0.02495429 0.09590651 0.00129726 0.00093837 0.02351837 +C 5.01052238 6.95146676 5.65488057 0.00269901 -0.00211599 0.00074406 0.01418521 -0.00744932 -0.01289675 0.00066061 0.00044631 -0.00540927 +H 4.33377143 8.22656593 4.02520662 -0.02310978 0.01854779 0.01165913 -0.08555224 0.16499631 0.10838604 0.00269769 0.02563892 0.01177388 +C 4.61542730 6.00258452 6.57508787 -0.00435725 -0.00166087 -0.00664873 0.00518142 -0.01710926 -0.02016296 0.00402985 -0.00258092 -0.00050301 +N 6.29324009 7.36340972 5.57225147 0.00076286 0.00389521 -0.00111596 0.00064546 0.02686309 -0.01032170 -0.00200674 0.00249831 -0.00133628 +C 3.32675450 5.65309465 6.69758123 0.00668303 0.00663462 0.00666008 0.00207878 0.02000680 0.05296178 -0.00625089 0.00059568 0.00548540 +H 5.31595903 5.52464059 7.31377290 -0.01919380 -0.01485208 -0.01955982 -0.06302900 -0.08627330 -0.11037083 0.02564126 -0.02234795 0.00927608 +C 7.36833662 6.78744929 6.11971412 -0.00885793 0.00015290 -0.00486279 -0.01290600 -0.00018319 -0.02627961 0.00582471 -0.00064095 -0.00165281 +H 6.45627621 8.23679603 5.04343414 -0.04254991 0.00450452 0.00243260 -0.18083933 0.05629105 0.06416010 0.00355651 0.02436584 0.00892840 +O 7.48522966 5.61498998 6.50448777 -0.00320380 -0.00286370 0.00274247 -0.02812916 -0.00576567 0.01428525 -0.00489745 0.00173738 0.00095151 +C 8.57417548 7.72797849 6.21447297 -0.00251200 0.00107825 0.00484737 -0.01443060 -0.00770823 0.01854443 -0.00173175 -0.00197385 -0.00007962 +H 8.66470919 8.11895707 7.22386613 0.01670443 -0.02054687 -0.00210401 0.08732667 -0.06485115 0.05455036 0.00390590 -0.00105854 0.00608247 +H 9.51758797 7.24751110 5.97023705 0.00475753 0.01494818 -0.01580566 -0.03126435 0.02502206 -0.08252414 -0.01332111 -0.00787060 -0.00866429 +H 8.51145510 8.52777919 5.50424996 -0.01662770 -0.01443575 -0.00416882 -0.12517255 0.01848993 0.00639183 -0.01256545 0.00962978 0.02047999 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99888642 5.65433991 6.07465511 0.00143643 -0.00908914 -0.00430783 0.01801440 -0.06329956 -0.04129018 0.00404257 -0.00581286 -0.00578394 +C 2.26793910 6.15156346 5.89052303 -0.00092168 0.00791208 0.00798774 0.00529116 0.01196520 0.03580291 0.00234019 -0.00466312 0.00176249 +H 0.89502332 4.78565810 5.64914536 0.01315845 -0.01814842 -0.02408758 0.08051387 0.00213171 -0.08143860 0.00633036 -0.02222893 -0.02087250 +C 2.55297569 7.44191223 6.36402359 0.00023491 0.00170865 -0.00236702 0.05552530 0.01439110 -0.02036992 0.00779751 0.00351049 -0.00155445 +H 3.00242660 4.39937263 4.79703011 0.00481218 0.01684471 0.00027316 0.07057822 0.01574806 0.06263616 0.01042615 -0.00888081 0.01804693 +C 3.96560761 7.81194045 6.37043602 -0.00365763 0.00563189 -0.00299174 -0.03461559 0.02873694 -0.00900863 -0.00298251 0.00135511 -0.00044526 +H 1.87885683 8.15918346 6.74336034 0.01126483 -0.01800171 -0.01461488 -0.11261562 -0.06638452 0.01091172 -0.00709126 -0.01840147 0.00302893 +C 5.00590347 6.97004424 5.89537543 -0.00684915 -0.00437805 -0.00069845 -0.03119764 -0.00096718 0.00471576 -0.00007218 0.00605019 0.00283949 +H 4.27219849 8.73527731 6.88804784 0.00043272 -0.00562024 0.02151196 -0.07292633 -0.02313372 0.01858079 -0.01478517 0.01611004 -0.00809397 +C 4.70120542 5.71170745 5.34039960 -0.00023590 0.00566152 0.00341975 -0.03472671 0.02744927 0.01906556 -0.00870406 0.00122887 0.00130426 +N 6.30586684 7.44579839 5.99143325 0.00677828 -0.00130043 0.00178018 0.02757730 -0.02151374 0.02100199 -0.00096260 -0.00395504 0.00418117 +C 3.31653954 5.31185754 5.30483298 -0.00099586 0.00347529 0.00417887 -0.01533998 0.05533145 0.04122067 -0.00269253 0.01034855 0.00679224 +H 5.49881883 5.10881808 4.97882777 0.01234577 0.00790843 0.00425178 -0.04956335 0.00432003 -0.01934974 -0.03150363 -0.00135240 -0.00492266 +C 7.48295532 6.81847924 5.89777017 0.00019040 -0.01447569 -0.00349636 0.02204649 -0.04521522 -0.02110470 0.00584750 0.00562894 -0.00135591 +H 6.44342171 8.33194055 6.39668064 -0.01160168 0.00606483 -0.00123365 -0.08098944 0.05948329 -0.07455226 -0.00360812 -0.01036644 -0.02533886 +O 7.69691932 5.63249547 5.66793736 -0.00584632 0.00345602 0.00021804 -0.04266418 -0.00229823 -0.00368860 -0.00568636 -0.00604635 -0.00168503 +C 8.68734847 7.71885626 6.07515670 0.00767012 0.00295317 -0.00226073 0.03204941 0.01479913 -0.00386342 0.00306045 0.00125233 0.00112986 +H 8.90430076 7.77298375 7.09468822 0.00325534 -0.00144995 0.01608587 0.11460328 -0.04456978 0.04274929 0.01781403 -0.00663885 -0.03065122 +H 9.49045249 7.40712989 5.43315203 -0.00351039 0.02959550 0.00030176 0.12576999 0.09864279 -0.01015325 0.01644677 0.00142600 0.00852081 +H 8.48228190 8.73643625 5.81142907 0.00003895 -0.01086431 -0.00725906 -0.05581205 0.02497472 -0.08090231 -0.00930831 -0.00093133 -0.00406043 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02373265 5.65367112 5.94679838 -0.00509864 0.00186022 0.00375913 -0.03021461 0.01683383 0.02759943 -0.00530643 0.00274528 0.00124080 +C 2.33279381 6.05509587 5.96034025 -0.00324121 -0.00372177 -0.00439547 -0.04626661 -0.04245888 -0.01020127 -0.00648473 -0.00701327 0.00156803 +H 0.66800607 5.62006733 5.09179328 0.01386066 0.01727355 0.01704493 -0.01189787 0.11563165 -0.02200611 -0.00427167 0.01369464 0.01942933 +C 3.01671555 5.80384256 7.15126326 -0.00076837 0.00159198 -0.00337540 0.00343084 0.00286113 -0.00978492 0.00066901 -0.00167075 0.00141224 +H 2.53454186 6.50536787 3.82359880 -0.02016082 -0.02731247 0.01006201 -0.18882743 -0.06416472 0.04128235 -0.01621544 0.01273346 0.00715432 +C 4.39381226 5.93887714 7.25397666 0.00380050 0.00266552 -0.00417660 0.02089593 0.00282076 -0.02391683 0.00019424 -0.00178077 -0.00344832 +H 2.55905656 5.37409703 7.98929284 0.01500794 -0.00430702 0.00987792 -0.01405361 -0.01552596 0.02673357 -0.00795733 0.00911918 -0.01980912 +C 5.06714682 6.48878569 6.14311318 0.00142112 0.00190977 0.00493213 0.03417475 0.02181367 -0.00056817 0.00643333 0.00407191 -0.00509749 +H 4.90320834 5.53433513 8.11506347 -0.01423442 -0.04891588 0.01626923 -0.10553840 -0.09147353 -0.04986930 -0.00103509 0.02020466 -0.01764274 +C 4.34471666 6.78934258 4.93109184 0.00618782 -0.00175815 0.00047715 0.02637283 -0.00891049 -0.00194166 0.00072506 -0.00135861 -0.00018919 +N 6.48342278 6.57847761 6.22372503 0.00036120 0.00202933 -0.00003284 0.00023639 0.02317577 -0.00091351 0.00175561 0.00301487 0.00165485 +C 2.96931946 6.47389768 4.80924981 -0.00891420 -0.00214208 -0.00412083 -0.01708862 -0.01117067 -0.02175344 0.00295161 -0.00166748 -0.00166290 +H 4.74669967 7.23716514 4.02382921 0.02329751 0.00708805 -0.00673688 0.20867508 -0.07444129 0.10129301 0.02896123 -0.02191858 0.01942434 +C 7.43498142 7.30540350 5.59796465 0.00472360 0.00510404 -0.00559086 0.00480131 0.02310589 -0.00408555 -0.00267713 0.00027571 0.00591608 +H 6.86525600 6.22175586 7.05199649 -0.00150670 -0.01304660 -0.01503693 -0.00197463 -0.17197073 -0.04576845 -0.00957681 -0.01602876 -0.02459174 +O 7.21593927 8.14241548 4.71361784 -0.00331667 -0.00139149 0.00146724 -0.01795669 -0.01009696 0.00311921 -0.00169520 -0.00076796 -0.00115843 +C 8.76618718 7.19512422 6.32087253 0.00725216 -0.00220621 0.00557480 0.03422906 0.01242519 0.01791919 0.00114731 0.00488606 -0.00076337 +H 8.88357397 6.14930834 6.70554204 0.00311094 0.01577465 -0.00800871 0.11584018 0.04237011 0.00744050 0.02348108 -0.01252722 0.01309382 +H 9.53802727 7.52051232 5.57837130 -0.00979909 -0.00791734 0.01277573 0.06186625 -0.11098916 0.04853559 0.03498744 -0.01103770 -0.00693592 +H 8.81399910 7.97408561 7.08949038 -0.00568244 0.00852857 0.00845657 -0.02428940 -0.06420845 0.06489459 0.00310555 -0.01679054 0.01256256 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04131608 5.63445549 5.76286738 -0.00050715 0.00057707 -0.00021660 0.00047719 0.00739938 -0.01021409 0.00076385 0.00238793 0.00060740 +C 2.33268474 6.07967419 5.88561184 0.00207157 0.00078203 0.00281731 -0.01435525 0.02636814 0.01341296 -0.00529724 0.00127147 -0.00022675 +H 0.89577522 5.32493558 4.85486007 -0.02470901 0.01256227 -0.02022208 -0.14878584 0.12621535 0.04039220 -0.02328013 0.01272668 -0.01407121 +C 2.60599053 7.50688327 6.00382122 -0.00187788 -0.00879383 -0.00138269 -0.01251376 -0.06513846 -0.01705347 -0.00144937 -0.00461711 -0.00274950 +H 3.06395135 4.07821397 5.66100341 -0.01094446 -0.03813310 0.01857722 0.08348544 0.10089086 0.18990223 0.01763138 0.00337035 0.02262198 +C 3.93505040 7.99094739 5.97394295 -0.00189228 0.00187383 -0.00354190 -0.02972594 -0.00767687 -0.01585494 -0.00530524 -0.00612090 -0.00131052 +H 1.76260102 8.17188841 6.02061089 0.00234889 -0.00271130 0.00636636 0.02552811 -0.01575347 0.05396569 0.00485679 -0.00828520 0.00520436 +C 4.97918745 7.05825824 5.94863033 0.00247128 0.00024920 0.00189416 0.00027822 -0.02897516 0.01823638 -0.00208650 -0.00374748 0.00328526 +H 4.08141980 9.06642709 6.08166939 -0.01063399 -0.00105230 -0.00967421 -0.02180996 -0.00597532 -0.10147459 0.00267299 0.00124176 -0.01578945 +C 4.66300320 5.61248444 5.92013790 0.00014061 -0.00110554 0.00283218 0.00244354 0.04546983 0.01819672 0.00144325 0.00880176 0.00150737 +N 6.26850027 7.54413600 6.00396103 -0.00163114 0.00265350 0.00545166 0.02515730 -0.00534344 0.02549039 0.00751632 -0.00189290 0.00205705 +C 3.34107367 5.15959725 5.82505585 0.00052275 0.00532975 -0.00441452 0.00989878 -0.00164813 -0.02952615 0.00308659 0.00162329 -0.00206475 +H 5.44993738 4.89136037 6.02154468 -0.00745628 0.03682547 -0.00649646 0.03090621 0.00250169 -0.07712657 -0.00199229 -0.01867061 -0.01109523 +C 7.45525436 6.84165712 5.90959687 0.00108811 0.00803815 0.00050055 0.01085403 0.04035427 0.01361756 0.00170523 -0.00071479 0.00337384 +H 6.38756152 8.55149986 5.91245895 0.01544688 -0.03250572 0.01450935 0.05893880 0.03105599 0.13840001 -0.00509646 0.01741837 0.02359030 +O 7.55657573 5.62002652 5.90834751 0.00209980 -0.00210130 -0.00126269 0.01281098 0.00071384 -0.01116557 0.00150899 0.00385188 -0.00188007 +C 8.82497346 7.61577323 5.88252957 -0.00487543 -0.00221180 -0.00255433 -0.02957830 -0.01999159 -0.00918383 -0.00298314 -0.00327253 -0.00034226 +H 9.03797540 8.05624768 4.87154129 0.00995049 -0.02161393 -0.01436670 0.01479513 -0.16798163 0.01553313 -0.00290134 -0.01572933 -0.00707611 +H 8.78727565 8.39978405 6.67780768 0.03283902 0.01255909 0.00169685 0.20809303 -0.00701368 -0.13215344 0.01917436 0.00272373 -0.02049030 +H 9.60899303 6.89025435 6.13866171 0.01856240 -0.02820091 0.00319960 -0.06454876 0.01544696 -0.04514224 -0.02186663 0.01321341 -0.00882710 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01789768 5.62635496 5.96522788 -0.00043208 0.00008321 -0.00488060 0.01972451 0.00414112 -0.03819848 0.00561253 0.00405703 -0.00551453 +C 2.32289862 6.13199773 5.88845647 0.00334961 0.01018413 0.00351055 -0.00165623 0.02446004 0.01935197 -0.00418920 -0.00575598 0.00141256 +H 0.98662008 4.67770683 5.80950198 0.00705816 -0.02427068 0.01165751 0.03723927 0.03253092 0.10729994 0.00346050 -0.01049139 0.01450517 +C 2.59262529 7.50798360 6.17961893 0.00073771 -0.00701972 -0.00020203 0.00142592 -0.04070366 -0.01158812 -0.00250377 -0.00200176 -0.00225517 +H 3.16748933 4.17614147 5.32669214 -0.02150981 -0.00446590 -0.01156692 -0.08094314 0.09551132 -0.03463528 -0.00425911 0.00852852 0.00022409 +C 3.93122046 7.95208598 6.20080589 -0.01025223 0.00186875 -0.00704265 -0.05690468 -0.00531653 -0.04280418 -0.00253406 -0.00243076 -0.00349205 +H 1.80354746 8.23281104 6.28479200 0.00987016 -0.00913515 0.00237418 -0.01793251 -0.07041611 0.09583222 -0.00959064 -0.01416661 0.02145432 +C 4.95297621 6.99670035 5.97561727 -0.00210702 0.00292053 0.00198815 0.00984239 0.02081190 0.01574577 0.00145391 0.00185259 0.00141711 +H 4.12545462 8.99483442 6.37137480 -0.01199844 -0.00801819 0.03217466 -0.07000710 -0.04926407 0.19342911 -0.01155545 -0.01331264 0.01195886 +C 4.71564154 5.65530905 5.63536252 -0.00445438 0.00086028 -0.00156815 -0.05489174 0.00976044 -0.01076714 -0.00828107 0.00207549 -0.00101168 +N 6.27498644 7.43038294 6.17940820 -0.00256738 -0.00352770 0.00440378 -0.00955777 -0.01797938 0.01628663 0.00254515 -0.00273090 0.00026914 +C 3.38364362 5.22850715 5.55327936 -0.00128289 0.00097512 0.00776135 -0.03609000 0.01237293 0.05871073 -0.00888488 0.00416638 0.00833139 +H 5.45393080 4.90164544 5.42121758 -0.02808913 -0.00270294 -0.00402987 -0.04980123 -0.02005922 -0.01344276 0.00615137 0.00668643 0.00110636 +C 7.46510727 6.81653908 5.86587752 0.00190679 -0.00412720 0.00463859 0.01477624 -0.00455184 0.03310086 0.00113655 0.00095413 0.00340949 +H 6.21507006 8.41984198 6.42111966 0.00819250 0.01488736 -0.01061273 0.20424555 -0.05516579 -0.01668971 0.03588063 -0.00872867 0.01116806 +O 7.58801596 5.74899632 5.27069592 0.01193577 0.00166867 -0.00304508 0.07809376 0.01179230 -0.01581637 0.00971985 0.00212950 -0.00099035 +C 8.76736500 7.60758121 6.22179418 0.00217720 -0.00231938 -0.00705573 -0.01863603 -0.02029871 -0.01699089 -0.00382886 -0.00075991 0.00349556 +H 8.57224306 8.22364610 7.02549158 0.00911447 0.01668622 0.01740123 0.04883490 0.10113191 -0.02248507 0.00815906 -0.01172628 -0.04109112 +H 9.47819564 6.93269920 6.66667030 0.00866574 0.01657533 -0.01790846 0.15664347 0.01632714 -0.19048095 0.01276730 -0.00248375 -0.03427120 +H 9.09634950 8.16239735 5.32890407 -0.00994951 -0.01816995 0.02092297 0.04558098 -0.01236005 -0.02115386 0.00950963 0.00808724 -0.02028180 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.06807683 5.55847861 5.94341862 -0.00018911 0.00105738 0.00371112 -0.01107630 0.00856597 0.03534911 -0.00331388 0.00251255 0.00435108 +C 2.27801784 6.10936162 5.95370234 0.00252996 -0.00563044 -0.00243384 0.06281254 -0.02902027 -0.02596052 0.00897274 0.00183405 -0.00378664 +H 0.53422702 6.00173218 5.32907187 0.00278141 -0.02939729 0.01029214 -0.10237443 -0.11345125 -0.02127422 0.00049200 -0.01890185 0.01409546 +C 2.61604929 7.48863272 6.01454116 0.00662666 0.00278167 -0.00055992 0.02751665 0.01238518 -0.00417199 0.00089830 -0.00087677 -0.00117698 +H 3.16268005 4.17190715 5.83276711 0.00285227 -0.00537142 -0.02974309 -0.01597279 -0.06442528 -0.24275233 -0.00206909 0.04113895 -0.02749550 +C 3.95544070 7.99783063 5.88549549 0.00180723 0.00117161 -0.00132353 0.00548335 -0.01520149 -0.00563010 0.00142723 -0.00514013 -0.00044306 +H 1.80171439 8.16001150 6.22914650 0.00538449 0.00936142 -0.01022096 0.06286051 0.08127896 -0.11340767 0.01017261 0.00861930 -0.01814757 +C 5.00050287 7.03638360 5.76245434 0.00323383 0.00217455 -0.00085198 0.02389401 0.01845035 0.00009901 0.00096950 0.00006100 0.00075663 +H 4.11933211 9.07484186 5.96258491 0.01138298 0.00472038 -0.00749003 0.07266847 -0.04779144 -0.04798336 0.00586599 -0.00687449 -0.00483539 +C 4.68186542 5.64083536 5.69561169 -0.00647621 -0.00407586 0.00041475 -0.03351628 -0.00701137 -0.00317846 -0.00442878 0.00744056 -0.00040035 +N 6.33862172 7.56828959 5.81966011 -0.00088924 -0.00034784 0.00101122 -0.01504573 -0.00798117 -0.00054248 -0.00253408 -0.00454486 -0.00033494 +C 3.35357858 5.16456283 5.76113004 -0.00486812 0.00333915 -0.00159964 -0.02956976 0.03230435 -0.00292436 -0.00101738 -0.00231815 -0.00125298 +H 5.46849584 4.81929386 5.54913939 -0.00275918 0.00754745 0.00097140 -0.08373558 0.08086493 0.03652548 0.01500584 -0.02276314 0.00121534 +C 7.45994702 6.81589417 5.94049085 -0.00237046 -0.00004435 0.00636627 -0.00877023 0.02137697 0.04209051 -0.00088702 0.00168367 0.00475605 +H 6.47254774 8.57879454 5.71016154 0.00599898 0.03684831 0.01716264 -0.02853747 -0.07731629 0.16434379 -0.00858078 -0.01000449 0.02468039 +O 7.50414194 5.62041673 6.02105383 0.00420710 -0.00559946 -0.00108314 0.03292835 -0.04403024 -0.00689600 0.00478021 -0.00458420 -0.00087777 +C 8.77064823 7.61926411 6.09174953 -0.00873425 0.00125575 -0.00361358 -0.05211452 0.00724926 -0.02251577 -0.00429239 0.00638732 -0.00042405 +H 8.60173612 8.59198578 5.76422186 0.00580809 0.00587526 0.00931414 0.02590764 0.11848221 0.00665026 -0.00102115 -0.01309453 -0.00032313 +H 8.98744086 7.61731003 7.12074980 -0.00567505 0.02218085 -0.00000482 -0.00707277 0.13668227 0.02207005 -0.00484261 0.00867085 -0.02047636 +H 9.61270679 7.18955724 5.55799655 0.02112903 0.01357753 -0.00313077 -0.01069859 0.07649332 0.01618505 -0.02265164 0.00115139 0.00430283 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96789884 5.77927911 5.88431180 0.00185602 -0.00366158 -0.00008187 0.01228660 -0.04175698 -0.00085894 -0.00001966 -0.00535785 -0.00022392 +C 2.28973020 6.16123625 5.84471806 -0.00861013 -0.00241095 0.00096556 -0.05784330 -0.00470853 0.02121786 -0.00189186 -0.00058565 0.00389848 +H 0.92322871 4.81924137 5.94596318 0.01401727 -0.02437237 0.00846815 0.03724472 0.00514441 0.02710349 -0.00400476 -0.02170783 0.00293246 +C 2.58554567 7.47364676 6.23000193 -0.00000521 0.00146211 0.00264345 0.03087097 -0.02021838 0.00018320 0.00347527 -0.00351322 -0.00146424 +H 3.08271702 4.21543369 5.40452817 0.00767550 0.01384442 0.01608557 -0.02580378 -0.05161610 -0.00222140 -0.00467585 -0.00618568 -0.01567554 +C 3.97289146 7.77490774 6.24773111 -0.00140831 0.00549803 -0.00056420 -0.02450030 0.04833485 0.00557337 -0.00257102 0.00893807 0.00181578 +H 1.84280333 8.17818736 6.50138032 0.03044166 -0.00461605 -0.01018290 0.02497926 0.09520049 -0.03760430 0.00156625 0.00054694 -0.00793696 +C 5.03599359 6.88534195 6.01483166 -0.00366404 -0.00256422 -0.00269669 -0.02573434 -0.00976466 -0.00738167 -0.00367351 0.00444249 0.00224133 +H 4.10680749 8.77117194 6.53266881 -0.03231177 0.00121076 -0.01366544 -0.01541838 0.13751273 -0.05253246 0.02208197 0.00222121 -0.00816051 +C 4.69997482 5.54120496 5.68730462 0.00231948 0.00635021 0.00901411 -0.02293054 0.04123927 0.03110278 -0.00814346 0.00326912 -0.00111658 +N 6.33245461 7.31049928 6.23557369 -0.00153176 0.00183076 0.00097434 -0.01358224 0.02195981 0.00809869 -0.00117928 0.00325463 0.00023209 +C 3.29718280 5.23792829 5.62330212 -0.00141605 0.00022166 -0.00803779 0.01841255 -0.00352656 -0.04788892 0.00235432 -0.00131243 -0.00447398 +H 5.40884824 4.81438208 5.30710360 -0.00446368 0.01173336 -0.02785940 -0.00516145 0.08777661 0.01905206 0.00575504 0.00772665 0.03224121 +C 7.50486753 6.89379574 5.82412101 0.00329155 -0.00858305 -0.00532150 0.01128823 -0.04120081 -0.01901236 -0.00102545 0.00052310 0.00249194 +H 6.38108812 8.09764474 6.86781957 -0.00070601 0.00059410 -0.01174609 0.01057890 0.09572579 -0.07784717 0.00193580 0.02010489 -0.01244340 +O 7.62041995 5.88397394 5.16867998 -0.00407876 0.00264545 0.00186013 -0.01905604 -0.00713118 -0.00616035 -0.00114387 -0.00591131 -0.00439701 +C 8.72075750 7.69803764 6.16680159 0.00643063 -0.00210582 0.00425171 0.04858684 -0.01714328 0.02917396 0.00871796 -0.00156165 0.00527919 +H 8.61204882 8.10113292 7.13502083 0.02895384 0.00021721 -0.00580825 0.14214212 0.05289332 0.08636032 0.00967318 -0.00160073 0.00024014 +H 9.58461953 7.03332734 6.23224583 0.02575966 0.02875969 -0.01019585 0.17475194 0.17520647 -0.13758937 0.01273347 0.01103601 -0.02167702 +H 8.75368305 8.53239959 5.45643236 0.02368452 -0.01127850 0.01010570 0.21322099 -0.04377114 0.01962460 0.02264952 -0.00004055 -0.00273389 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00837441 5.84700338 5.86499682 0.00120566 0.00120656 0.00315883 0.00506474 -0.00601727 0.01609108 0.00128249 -0.00057240 0.00162017 +C 2.31925827 6.16015043 5.84585878 0.00588365 -0.00132455 -0.00075834 0.03007610 -0.00601755 -0.00316695 0.00124792 -0.00128543 -0.00015673 +H 0.85175461 4.92125638 5.81170290 -0.00219673 -0.02220891 -0.01063447 0.00373746 0.03425302 -0.06825479 -0.00245436 -0.00007864 -0.01210199 +C 2.68263159 7.46584360 6.20434833 0.00669753 0.00106325 -0.00346086 0.04591039 -0.00866219 -0.03160132 0.00269906 0.00053352 -0.00496095 +H 3.07449106 4.23322818 5.12132475 -0.01611148 0.00945099 -0.01473218 -0.14638498 -0.01061862 -0.02309719 -0.01549048 -0.00878107 0.01338332 +C 4.00976317 7.77409389 6.34506353 0.00726038 0.00526773 0.00339831 0.04550592 0.02809300 0.01397082 0.00333299 0.00571933 0.00110948 +H 2.01775304 8.23724639 6.33108733 0.01322211 -0.01489195 -0.02634559 -0.10857139 0.00904487 -0.09230907 0.00077480 -0.02088424 -0.00280858 +C 5.02835937 6.81249614 6.13263936 -0.00407091 0.00446265 0.00079103 -0.04238508 0.01730029 -0.00626661 -0.00475443 0.00034803 -0.00259138 +H 4.22735633 8.79685034 6.54203580 -0.01805491 -0.01382416 -0.00625648 0.01012372 0.08777328 0.06094012 0.01877694 0.00862335 0.01621548 +C 4.64450990 5.48885107 5.65411659 -0.00375299 0.00504659 -0.00528451 0.00893003 0.04853543 -0.00625469 0.00237940 0.00931002 0.00353505 +N 6.27871460 7.34026204 6.34427093 -0.00708345 -0.00305727 -0.00232016 -0.02181892 -0.03848648 -0.02082889 -0.00022149 -0.00918068 -0.00364319 +C 3.30317726 5.21237041 5.50162113 -0.00170613 -0.00678619 0.00394895 -0.02050704 -0.04803288 0.02021180 -0.00245772 -0.00615827 0.00137740 +H 5.32597180 4.61183531 5.52849237 0.02855499 0.00613378 0.02787722 0.11813718 0.24857645 0.08258628 0.02217997 0.02870905 -0.01184076 +C 7.46073323 6.82452228 5.88634716 -0.00114802 0.00252287 0.00888123 -0.00298242 0.02638744 0.03532239 0.00020359 0.00067414 -0.00184159 +H 6.32363695 8.31829637 6.74762852 -0.01895235 -0.01177528 0.01172239 -0.09485866 -0.15376777 0.07165948 -0.00282612 0.00629456 0.02409066 +O 7.64672268 5.80571235 5.21510830 0.00210232 -0.00102889 -0.00523408 0.00396052 0.00488667 -0.01704982 -0.00109669 0.00391898 0.00147573 +C 8.63382232 7.84133800 6.01744137 -0.00330993 -0.00373065 0.00022810 -0.02147094 -0.02952879 -0.01018323 -0.00103124 -0.00160451 -0.00201904 +H 9.04416897 7.96698693 6.99821596 -0.00679772 0.00056323 -0.00581190 -0.06569219 -0.01912037 0.05221320 -0.01642065 -0.01068171 0.00139813 +H 9.41555357 7.49796422 5.39948770 0.00808812 -0.00406707 -0.01087404 0.03191046 -0.03319222 -0.02150844 -0.01555141 0.00318086 0.01511708 +H 8.39480366 8.76301020 5.57397748 -0.01157570 0.01257205 0.00795983 -0.10175302 0.05526883 0.09904900 -0.00815852 -0.02173205 0.02413872 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03638195 5.69096126 5.99172026 -0.00518974 -0.00501409 -0.00357207 -0.04098032 -0.03872480 -0.01299571 -0.00563926 -0.00407393 -0.00245009 +C 2.28182138 6.13115645 5.91305752 -0.00226415 0.00430373 0.00749929 0.02501219 0.01659959 0.03372162 0.00480867 -0.00172472 0.00250729 +H 0.47804055 5.84751977 5.24782374 0.01109322 0.01706969 0.01903770 -0.00678039 0.17631736 -0.01034464 0.00570259 0.01968690 0.01104167 +C 2.61298186 7.47646814 6.17773682 0.00413286 0.00310726 0.00160202 0.01685551 -0.00007895 0.01357579 -0.00147993 0.00100981 0.00183652 +H 3.06530741 4.23124595 5.28176331 0.02554464 0.01001549 0.00277143 0.11939011 -0.02536503 -0.03477221 -0.00057038 -0.00489537 -0.00832930 +C 3.97437216 7.82559527 6.14208071 -0.00489884 -0.00297239 -0.00475615 -0.01831926 0.00847892 -0.02038921 0.00434034 0.00179709 -0.00059142 +H 1.84871726 8.09427748 6.56549857 0.01617953 0.02308771 -0.03130730 0.06964308 0.22679026 -0.22068184 0.01808021 0.00986900 -0.02930193 +C 5.00443949 6.94392078 5.84346333 0.00508129 -0.00818936 0.00683884 0.03794178 -0.04293199 0.03624484 0.00119877 -0.00148591 0.00338861 +H 4.10529043 8.88888181 6.34831280 0.02032884 -0.00342696 0.01999344 0.18294653 -0.10166629 0.11688988 0.02060220 -0.00817116 0.00930189 +C 4.66877820 5.63570050 5.43671689 0.00405998 0.00213602 -0.00348632 0.03645120 0.00069457 -0.02810150 0.00126837 0.00066021 -0.00239369 +N 6.31899412 7.46352576 5.85220506 -0.00033838 -0.00082490 -0.00099846 -0.03067183 -0.01253526 -0.00843759 -0.00401842 -0.00026191 -0.00134656 +C 3.34503443 5.25066937 5.50283731 0.00080637 0.00183523 -0.00046057 -0.02099773 0.01631929 0.00708595 -0.00239388 0.00147365 0.00158226 +H 5.39731101 4.86234071 5.04089312 0.01599906 -0.00351681 -0.01740446 0.03078984 0.13578900 0.01020862 0.02405969 0.00198507 -0.00065291 +C 7.47912074 6.83101015 5.99315137 -0.00513786 0.00133004 -0.00098762 -0.00480295 0.00198164 -0.01305278 0.00237951 -0.00074514 -0.00194953 +H 6.19596183 8.43458557 5.72618497 0.01026129 -0.00727723 -0.00319005 0.23021566 0.03659396 0.01981375 0.03448444 -0.01354486 0.01081817 +O 7.60454893 5.58983486 6.04864202 -0.00362339 -0.00023044 0.00033692 -0.02404233 0.01392422 0.00428616 -0.00291772 0.00376945 0.00087573 +C 8.72717480 7.76212814 6.01158497 0.00235786 0.00236149 0.00304361 -0.00341425 -0.00772249 0.01965508 -0.00318825 -0.00250776 -0.00056290 +H 9.42616493 7.59538157 5.21582328 -0.01670412 -0.00102024 -0.00803122 -0.11959336 -0.02661166 -0.10979301 -0.02254429 -0.00454454 -0.00546967 +H 8.40853288 8.79993889 6.03188113 0.00331021 -0.01213530 -0.01035072 0.03680514 0.02888643 -0.05417331 0.00549429 0.00720820 -0.00550639 +H 9.28478224 7.48157989 6.94877840 0.00927001 0.02529346 -0.01702973 0.09590920 0.19644099 -0.04243094 0.02372798 0.01902388 0.01631406 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04351081 5.53589076 5.92394849 -0.00286394 -0.00089925 0.00229413 -0.02735605 0.00132385 0.02461147 -0.00342829 0.00077604 0.00357719 +C 2.31038575 6.04395934 5.97190692 -0.00250403 0.00066877 -0.00287815 -0.01788688 0.02537917 -0.03679554 -0.00243258 0.00345627 -0.00796444 +H 0.39397627 5.98310912 6.42568841 -0.02279021 -0.00300473 0.02066827 -0.00693904 -0.06007198 0.05629771 0.00375730 -0.00144814 0.01054446 +C 2.59274081 7.41425191 6.38392679 0.00537692 -0.00396992 -0.00413883 0.01500688 -0.05162687 -0.01688958 -0.00004316 -0.00579564 0.00018700 +H 3.14184997 4.41095803 4.78355841 -0.02150626 0.02645493 -0.00851080 -0.18877756 0.01217051 -0.08377079 -0.01350359 0.00184866 0.00110776 +C 3.92510932 7.85287958 6.40711830 -0.00334232 0.00557939 0.00095363 0.00288822 0.05072197 0.01401478 0.00322580 0.00448575 0.00209698 +H 1.77323138 7.98088688 6.76738487 0.00718743 0.01608458 -0.00457538 0.10540182 0.09538174 -0.06352869 0.01828625 -0.00131729 -0.01331696 +C 4.98926730 7.03729793 5.98730768 -0.00045278 0.00042495 0.00829431 0.01289478 0.00553772 0.02996941 0.00261791 0.00264980 0.00065588 +H 4.21596758 8.84248158 6.74276045 0.00531225 0.02636549 0.01407397 -0.11561208 0.02066959 0.06598165 -0.02842412 -0.00248359 0.00815948 +C 4.62930682 5.81168252 5.32844750 0.00324410 0.00334138 -0.00132117 0.02649798 0.02683612 -0.00031162 0.00523094 0.00159327 -0.00066566 +N 6.34116609 7.55640422 6.00804418 0.00400962 -0.00005550 -0.00040669 -0.01560170 -0.01748636 0.00302358 -0.00517150 -0.00738801 0.00072630 +C 3.30188213 5.32758098 5.29931462 -0.00328772 -0.00446050 -0.00356060 0.00342051 -0.00603905 -0.01165491 0.00278873 0.00192398 -0.00086639 +H 5.38121383 5.27766681 4.88325765 0.02466456 0.01460920 -0.01035694 0.06434168 0.03097156 -0.09411419 -0.03157720 0.01158165 0.00124512 +C 7.47566692 6.85918260 5.87695169 -0.00268423 -0.00311396 -0.00305801 0.01271865 -0.05630009 -0.02862388 0.00385563 -0.00935374 -0.00387032 +H 6.33636210 8.56931576 6.24091620 0.00559241 -0.00650711 0.01062190 0.16345933 -0.07562979 0.05533991 0.03050823 0.00503079 0.00930527 +O 7.58706666 5.61562851 5.62925678 0.00878230 -0.00581731 0.00318928 0.04745335 -0.01425152 0.02692536 0.00483999 -0.00001231 0.00402089 +C 8.81778826 7.56840166 6.07270702 -0.00999594 0.00023757 -0.00374380 -0.05930242 0.01508600 -0.00871864 -0.00537391 0.00730927 -0.00049399 +H 9.63162402 7.04173528 5.58214575 0.01757451 0.03183878 -0.01076482 0.02092579 0.18063332 -0.01976168 -0.01598268 0.01527057 0.00293313 +H 8.83960886 8.56347147 5.74206220 -0.00749578 -0.00036908 0.00924737 -0.14185587 0.08529577 -0.02533261 -0.03444925 -0.00724309 -0.00518144 +H 8.96900966 7.62903919 7.14795851 0.00440884 0.01730350 0.01084911 0.04169700 0.04442483 -0.04797806 0.00324030 -0.00539771 -0.01535605 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02130013 5.89167106 6.03611449 0.00046559 -0.00048323 0.00329587 -0.00838505 -0.00673258 0.02309442 -0.00303781 -0.00323047 0.00332824 +C 2.33503386 6.10001039 5.93824150 -0.00087732 0.00512350 0.00130431 0.02869118 0.04084901 -0.01349530 0.00620703 0.00246171 -0.00467260 +H 0.79080145 5.00556153 6.12373783 -0.02782936 0.02466515 0.00103908 -0.16918822 0.00066517 0.00323804 0.00190772 0.01680087 -0.00437254 +C 2.68167924 7.46618583 6.00272876 -0.00098976 0.00001403 -0.00023144 0.00654321 -0.00612317 0.00398073 0.00207741 0.00008106 0.00157564 +H 3.00179593 4.10021518 5.68479757 -0.00330263 0.01311833 -0.02554488 0.07766118 0.01694750 -0.28219833 0.01475234 -0.01909494 -0.04475914 +C 4.01549013 7.87754425 5.95719297 -0.00223940 -0.00201238 -0.00499694 0.01009479 -0.01058821 -0.02392280 0.00305960 -0.00272807 -0.00176003 +H 1.94832746 8.24630214 6.19710736 0.00439086 -0.03822960 0.00462059 -0.12490949 -0.10850458 0.01698770 -0.02183854 0.00480059 -0.00229210 +C 5.04927280 6.87798715 5.90779310 0.00743011 0.00237594 0.00052388 0.00112264 0.01458517 -0.00765040 -0.00617598 0.00135976 -0.00240583 +H 4.27533334 8.93645370 6.06614894 -0.00072271 0.03214128 0.00656304 -0.08028460 -0.06695845 -0.00225688 -0.00985995 -0.01707874 -0.00452147 +C 4.72820798 5.49592086 5.71384233 -0.00135815 -0.00442160 0.00380878 -0.01382051 0.00974975 0.02501242 -0.00062759 0.00481333 0.00282000 +N 6.29644833 7.38132873 6.04701495 0.00386050 -0.00074978 -0.00038701 0.01184131 0.01555044 -0.00077289 -0.00085918 0.00478846 -0.00006236 +C 3.36416798 5.15066448 5.63517887 0.00430500 -0.00169551 -0.00357309 -0.01229495 -0.00581474 0.00774595 -0.00612619 0.00218384 0.00452539 +H 5.49648893 4.77278656 5.67166209 -0.00567387 0.01797064 -0.00553674 -0.00156276 -0.06317687 -0.04500813 -0.01510108 -0.01032589 -0.00421528 +C 7.44288901 6.87168855 5.83289711 -0.00409110 -0.00726570 -0.00106079 -0.01124906 -0.04137588 0.00498002 0.00195484 -0.00217371 0.00345921 +H 6.36261563 8.34049907 6.33702528 0.01591169 -0.00672436 -0.01151159 0.05668663 0.03484573 -0.03616794 -0.00186119 0.00898931 -0.00027991 +O 7.55905658 5.73485860 5.43517079 0.00191256 0.00247216 0.00020687 0.03410828 -0.00310756 -0.00963025 0.00744126 -0.00434621 -0.00322496 +C 8.55790499 7.74484498 6.30067237 -0.00558999 0.00208274 0.00510571 -0.01937791 -0.00125872 0.02665944 -0.00155300 -0.00008104 0.00067132 +H 9.49394592 7.35549625 5.89615721 -0.00772593 0.00832160 -0.01398180 -0.04741593 0.10526556 -0.09059921 -0.00169358 0.01856801 -0.00948704 +H 8.48521992 8.78510229 6.14882697 -0.01916652 0.00056062 -0.00203640 -0.16012419 0.03430553 -0.06046040 -0.01935617 -0.02006110 -0.00413227 +H 8.62733088 7.59146966 7.39755895 -0.00663321 -0.00387440 -0.01432028 -0.00107065 -0.01356877 0.01574508 0.00920396 0.00061614 0.02308506 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.93707649 5.73780150 5.93393411 -0.01011564 -0.00547735 -0.00433365 -0.04338968 -0.04243738 -0.03587247 -0.00098878 -0.00312046 -0.00466114 +C 2.26223612 6.13196076 5.88160307 0.00095588 0.00252759 0.00592590 -0.00784774 0.00647263 0.04093202 -0.00482566 -0.00330383 0.00495850 +H 0.85309939 4.83646424 5.59569986 -0.00519405 -0.02865437 0.00337791 -0.06284537 -0.03740578 0.09318756 -0.01395070 -0.02384219 0.00929594 +C 2.61799580 7.45547166 6.22973981 -0.00272985 -0.00330214 0.00316271 -0.00192061 -0.01124035 0.04627308 0.00329286 0.00249833 0.00950357 +H 3.07987140 4.23255259 5.27152885 -0.02015879 -0.01707380 0.02412688 -0.06925096 -0.02174834 0.17382204 -0.00011090 -0.00312721 0.01641518 +C 3.98736195 7.85632898 6.29761297 0.00364897 0.01377415 -0.00229140 -0.00250837 0.06159634 -0.02557640 -0.00472300 0.00299356 -0.00437663 +H 1.80432652 8.00617337 6.67942508 0.00631601 0.00412218 0.01362690 0.06626613 0.13140032 -0.03661252 0.00805949 0.02376178 -0.02208532 +C 4.98744373 6.90933841 5.96399329 -0.00070829 -0.00093571 -0.00175685 0.00288962 0.02622369 -0.01209066 0.00188507 0.00891518 -0.00196610 +H 4.26040789 8.85194736 6.59206316 -0.01354378 0.01326824 -0.00160093 -0.07824657 0.10311959 -0.00058979 -0.00700260 0.00233310 -0.00512618 +C 4.64206184 5.60656319 5.64460071 0.00247409 0.00373349 -0.00386881 0.00695203 0.02273073 -0.03861265 -0.00099989 0.00083102 -0.00727215 +N 6.28993339 7.35135340 5.97541152 0.00295797 -0.00410997 -0.00185219 0.02775615 -0.00277388 0.00771981 0.00483544 0.00187550 0.00342388 +C 3.31565528 5.24588799 5.58616501 0.00144572 -0.00094619 0.00202195 -0.02317960 -0.02598882 0.01198025 -0.00663939 -0.00349815 0.00265957 +H 5.38569627 4.90565291 5.30055175 -0.02226527 0.01703271 -0.00139953 0.02694529 -0.03092628 -0.00268523 0.01759178 -0.01112226 0.00562186 +C 7.49487035 6.84671502 5.84466546 0.00707537 0.00277075 -0.00132330 0.06145978 -0.00101185 -0.02337580 0.00731484 -0.00279827 -0.00531574 +H 6.44986211 8.32020350 6.29568769 0.00678127 -0.01469905 0.00042343 -0.06833706 -0.02439522 0.02499644 -0.01755137 0.02304712 0.01197484 +O 7.74739958 5.77864565 5.31035580 0.00151061 -0.00326936 -0.00215028 0.00871183 -0.02549717 -0.01078731 0.00154660 -0.00365378 -0.00091192 +C 8.70122819 7.72283548 6.27579974 -0.00176555 -0.00116886 0.00165572 -0.01617739 0.01419654 0.03846354 0.00126060 0.00098843 0.00359653 +H 8.46943342 8.65811376 6.90642298 -0.00180340 0.02730775 0.02260665 -0.04625867 -0.09037464 -0.09167750 -0.02341705 -0.00054288 -0.00589814 +H 9.42385230 7.23504486 6.94007073 0.00685193 -0.00097692 -0.00909445 -0.01061525 -0.10558825 -0.09128126 -0.01079904 -0.02344154 -0.00547109 +H 9.17890674 7.98324782 5.35298364 0.01461200 -0.00043690 0.03457021 0.17269823 0.08481666 0.11143451 0.01205906 0.01543702 0.01485088 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.93383943 5.84430875 5.90462031 -0.00247118 0.00304416 -0.00488659 -0.01681494 0.02230207 -0.03664056 -0.00239203 0.00035361 -0.00701448 +C 2.26395527 6.10892539 5.85050813 -0.00118279 -0.00207282 0.00299503 -0.00166762 -0.00455116 0.03251062 -0.00023915 0.00347537 0.00730142 +H 0.60566434 5.07037438 5.52108531 0.02328868 0.01255190 -0.00010300 0.13869069 -0.06025059 -0.06875024 0.02223287 0.01245050 0.00190378 +C 2.65726164 7.33483588 6.35695816 0.00044246 0.00015349 -0.00071371 -0.00634768 0.04546476 0.01123218 0.00008641 0.00913280 0.00230459 +H 2.99036372 4.32036116 4.98944885 0.00035006 0.02641972 0.01301739 -0.02682573 -0.08231680 -0.01763473 0.00692411 0.00191635 0.01180501 +C 4.00256967 7.77867522 6.46735564 0.00859556 -0.00730201 0.00238743 0.02633967 -0.06557705 0.01016341 -0.00324637 -0.00872464 0.00194710 +H 1.86974367 7.99513363 6.66764822 -0.02313965 0.04595247 0.00142873 0.08345308 0.09505405 -0.05948589 0.02615683 -0.00435006 -0.00983731 +C 5.02521351 6.88425195 6.07265019 -0.00356021 -0.00404796 0.00141350 -0.01929464 -0.05132254 0.00569654 0.00093858 -0.00890045 -0.00013472 +H 4.23233076 8.78585274 6.77575249 -0.01150991 -0.01875729 0.00627416 -0.02200484 -0.06450575 0.10654106 0.00950047 -0.01136533 0.01634382 +C 4.60618909 5.59205514 5.58440279 0.00333538 -0.00149940 -0.00880163 0.02631232 0.01108737 -0.07315323 0.00398372 0.00137433 -0.01130680 +N 6.33459533 7.33263415 6.16499413 -0.00156062 -0.00081524 -0.00003179 -0.02881127 0.03037768 0.00099389 -0.00598596 0.00707859 -0.00071910 +C 3.26061969 5.22186795 5.40251722 0.00011084 -0.00221466 0.00882982 -0.00043680 0.00192793 0.07338459 -0.00039746 -0.00248964 0.00827426 +H 5.31923298 5.02525780 5.01956051 -0.01445568 0.00022670 0.00930245 0.07138764 -0.16041367 0.10763150 0.01565324 -0.02315091 0.02411916 +C 7.52057490 6.90433334 5.81795386 -0.00169397 0.00129324 -0.00340061 -0.00796241 -0.02539643 -0.03029573 -0.00136952 -0.00381866 -0.00279823 +H 6.38652934 8.25972357 6.46707236 -0.01425121 0.03529545 -0.01179390 -0.08016630 0.04787014 -0.07819476 -0.00596947 -0.01714851 -0.00801332 +O 7.74795475 5.78369541 5.35431017 0.00135641 0.00105247 0.00105031 0.00375185 0.00419424 0.00442084 -0.00019468 -0.00125567 -0.00036964 +C 8.66967163 7.79367609 6.03197621 -0.00084733 0.00133502 0.00247506 0.02045845 0.01442019 0.02276731 0.00488036 0.00522681 -0.00003042 +H 9.06827419 8.18127301 5.15194365 -0.00156055 0.01143267 0.00430067 -0.06991448 0.12771462 -0.05350673 -0.02293853 0.00014409 0.01137307 +H 8.36753214 8.53543763 6.76966070 0.01037031 0.02287536 -0.01762947 0.14197788 0.15819176 -0.08812317 0.02308652 0.00996609 -0.00374887 +H 9.54555356 7.20705685 6.38264256 0.00832644 -0.01863972 -0.00524753 -0.07456842 -0.02288892 0.02584510 -0.00565812 0.00378287 0.01703026 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.16871496 5.58686421 5.67760919 0.00432228 0.00079405 -0.00025018 0.00764947 0.00899701 -0.00660244 -0.00124956 0.00079711 -0.00115538 +C 2.36371985 6.16056852 5.79270052 0.00290904 -0.00884612 0.00012239 0.04656427 -0.06181876 0.00319220 0.00628045 -0.00458045 -0.00222914 +H 1.05959373 4.66053871 5.94152235 0.01241375 0.01438150 -0.01747154 0.12012593 -0.01802852 -0.06126006 0.01592916 -0.01222401 -0.00273013 +C 2.66904719 7.32058621 5.04268625 -0.00502249 0.00281124 0.00261909 -0.00583615 0.01651529 0.04326385 0.00422184 0.00040646 0.00945772 +H 3.18337456 4.50891620 7.12058161 0.03745487 0.00711494 0.01073884 0.10227852 0.07406986 0.05591397 -0.01749700 0.00510715 0.00597166 +C 4.01307212 7.81818365 5.10095719 0.00150897 0.00160007 -0.00698435 0.00089023 -0.00875880 -0.03118464 -0.00368752 -0.00347306 -0.00185068 +H 1.85386438 7.85061479 4.55541289 0.00496413 0.01093479 0.00092311 0.05825896 0.04458359 -0.03004742 0.00744718 -0.00167062 -0.00448011 +C 5.02679984 7.04217236 5.80411852 -0.00257505 0.00263531 -0.00045501 -0.05201611 0.02109087 -0.00545561 -0.00954647 0.00250892 -0.00062724 +H 4.30397852 8.75845657 4.63541570 -0.02014595 0.01553526 -0.00071122 -0.13065667 -0.00430652 -0.05819788 -0.00670587 -0.01340175 -0.01738365 +C 4.63753953 5.95902712 6.63628214 -0.00505617 0.00346768 0.00214406 -0.01550504 0.01837691 -0.00048177 -0.00019870 0.00269226 -0.00287556 +N 6.32870790 7.37767684 5.62661017 0.00113528 -0.00617074 0.00355156 -0.02615078 -0.02845971 0.01695625 -0.00702032 0.00049624 0.00036925 +C 3.36213349 5.45718549 6.60117445 0.00028104 0.00218727 0.00028686 -0.02185586 0.02652317 -0.01269742 -0.00254152 0.00355332 -0.00149464 +H 5.29995277 5.31769504 7.16382602 0.02413721 -0.00322265 -0.00534594 0.03308865 0.07909329 -0.00877272 -0.01756482 0.02112013 0.00635432 +C 7.37525112 6.73754543 6.04170428 -0.00449470 0.00080159 -0.00143702 0.01036031 0.02189935 0.01039209 0.00594735 0.00341708 0.00480646 +H 6.39060798 8.23224491 5.11594808 0.00547193 -0.01157892 0.02290794 0.15983605 0.01663883 0.08726075 0.02366339 -0.00305183 0.00990051 +O 7.44879845 5.73642991 6.71199511 0.00134755 0.00350764 -0.00180914 0.01203024 0.00738459 -0.01022379 0.00223229 -0.00126212 -0.00114481 +C 8.60082208 7.55833274 5.84110816 -0.00202812 -0.00455441 0.00057345 0.01150055 -0.04287802 -0.00218389 0.00580703 -0.00581717 -0.00324909 +H 8.69145001 7.77289312 4.79427807 -0.00770325 0.00655115 0.01420005 -0.03251264 0.15964004 0.00740015 -0.00286247 0.02607438 0.00681266 +H 8.72024941 8.41869510 6.52837884 0.01204596 -0.02154866 0.00167557 0.02075935 -0.08118197 0.01540421 -0.00545581 0.00204890 0.01021521 +H 9.44326615 6.89224871 6.03080078 -0.00189736 -0.00191903 -0.00628084 0.02843854 -0.02720913 -0.03398662 0.01014131 -0.00811468 -0.00637379 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97644392 5.69947887 5.81505068 -0.00049386 0.00451181 0.00284566 0.01171191 0.03849343 0.00266072 0.00453987 0.00592355 0.00059796 +C 2.29921814 6.05173308 5.94847895 0.00407120 -0.00535185 -0.00997863 0.03554358 -0.05765828 -0.05329386 0.00459192 -0.01073510 -0.00344931 +H 0.78251332 5.78880328 4.86761852 0.02255054 0.01075490 -0.01703592 0.04165698 0.03968111 0.04306370 -0.02129234 0.00524127 -0.01659113 +C 3.03007675 5.60110193 7.08557088 0.00485907 0.00099118 -0.00355719 0.00401226 0.01640460 -0.02005746 -0.00734706 0.00043461 0.00062403 +H 2.56655338 7.04143437 3.93726979 -0.01209580 -0.00746353 -0.01373901 -0.06824912 -0.15605851 0.06006716 -0.01551008 -0.02198543 0.00112372 +C 4.39101426 5.95187848 7.34451801 -0.00411201 -0.00272411 0.00064458 -0.02152255 -0.02402654 -0.02191186 0.00044520 -0.00250535 -0.00826061 +H 2.48520000 5.11180048 7.77157710 -0.01967269 -0.00606694 -0.00809532 -0.06880108 -0.03591232 0.03122165 0.02951873 0.02163258 -0.01751673 +C 5.11726457 6.44695382 6.25028457 0.01055161 0.00579973 0.00622509 0.03103236 0.07222017 0.01401682 -0.00440641 0.01204644 0.00098959 +H 4.85411552 5.74104443 8.31961499 0.00164903 -0.00495570 -0.00721041 -0.01589387 -0.08245570 -0.06629763 -0.00340584 -0.02012739 0.00002176 +C 4.39285014 6.89577031 5.02963089 -0.00313519 0.00408844 0.00469023 -0.00478825 -0.00819294 0.06880851 0.00081707 -0.00536865 0.01195724 +N 6.49100007 6.70674395 6.44988493 -0.00093501 0.00155265 0.00580972 0.00247699 0.00996549 0.04070940 0.00326924 0.00147022 0.00622645 +C 3.01308067 6.66205603 4.87964729 -0.00377488 -0.00435235 0.00170343 -0.01762631 -0.01371461 0.00651344 0.00140904 -0.00061286 0.00202396 +H 4.89255441 7.33519802 4.14358994 -0.01206267 -0.03416953 0.01054460 -0.01572646 -0.12505604 0.03124183 0.01174721 0.00448610 -0.00488841 +C 7.39051690 7.27275882 5.63359417 -0.00001892 -0.00453722 -0.00133352 0.00223667 -0.02902362 -0.00603889 0.00021008 -0.00254582 -0.00130132 +H 6.85693108 6.45775373 7.32123316 0.00123830 0.00371882 0.01348922 -0.01297362 0.01333751 0.07968465 -0.01097785 0.00483716 -0.00787316 +O 7.10478786 7.67314770 4.51110296 -0.00241238 0.00178310 -0.00296200 -0.00538119 0.01126722 -0.01666665 0.00084014 0.00089420 -0.00100915 +C 8.83643937 7.41884198 6.19586863 -0.00247089 0.00072338 -0.00157159 -0.00710809 0.01929837 -0.03475423 -0.00114902 0.00294282 -0.00435436 +H 9.62788723 7.05455398 5.51416691 0.00870688 -0.02185933 -0.00410143 -0.11154892 -0.14947935 0.03239233 -0.02328802 -0.02100981 0.00042923 +H 9.06967738 8.46505039 6.20105284 0.00978947 0.01942453 -0.00206233 0.00559028 0.02401890 0.01269660 -0.00468847 -0.01660011 0.00485625 +H 9.06498290 7.09183090 7.17744707 -0.01211924 -0.01697004 -0.01281057 -0.14847818 -0.16212463 -0.01078934 -0.02823186 -0.00952369 -0.01845720 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98284621 5.66098378 5.77519898 0.00211739 -0.00723371 -0.00100293 0.01508457 -0.03381772 -0.00319494 0.00261957 -0.00234621 0.00011529 +C 2.26641594 6.10399822 5.87309458 0.00067200 0.00561350 -0.00478297 0.02549562 0.02705802 -0.02429702 0.00355324 -0.00063651 -0.00314279 +H 0.88131454 4.76143047 5.43602282 -0.00481404 0.00755354 0.01585313 -0.00424559 -0.06805371 0.06952766 0.00707589 -0.01584472 0.00668221 +C 2.57032946 7.41923597 6.38278133 0.00398758 -0.00286111 -0.00138494 0.04343149 -0.03417744 -0.01953727 0.01029850 -0.00440722 -0.00307062 +H 3.10646883 4.33246264 4.97047869 -0.00233052 0.02117966 0.00267400 0.00181142 -0.06452417 0.05062495 -0.00147849 -0.03733942 0.00841748 +C 3.91765047 7.83437104 6.50208896 0.00937330 0.00543465 0.00206079 0.06037166 0.00598628 0.01858682 0.00503984 -0.00065610 0.00490130 +H 1.71032818 8.06580737 6.68301056 0.02752294 -0.02311097 -0.01127485 0.08099581 -0.03080418 0.02139872 -0.01172751 0.01683670 0.01761706 +C 4.99737943 6.99027646 6.06005174 -0.00022170 0.00340470 0.00261859 0.01590184 0.03574812 0.01979871 0.00445218 0.00475781 0.00211368 +H 4.21495430 8.68676375 7.04478458 0.00077623 -0.01697714 0.01188320 -0.04031740 0.09454063 0.05725464 -0.01369253 0.01238209 -0.01406754 +C 4.66171342 5.74406526 5.48455194 -0.00502591 0.00207111 0.00158271 -0.03486288 0.02198332 0.02690197 -0.00336904 0.00282096 0.00521121 +N 6.35918516 7.46889226 6.19127754 0.00169129 0.00260735 0.00063246 -0.02292089 0.03107949 0.00701803 -0.00853215 0.00330271 0.00056357 +C 3.36220019 5.24962610 5.53372341 -0.00481179 -0.00540800 -0.00373602 -0.05614853 0.00152188 -0.04480277 -0.00806544 0.00626058 -0.00831600 +H 5.40530811 5.12585477 5.02110179 -0.01626465 0.02048055 0.02327704 0.01312069 -0.02487792 0.07471051 0.00238139 -0.01509786 0.00555439 +C 7.50767543 6.85557313 5.81374789 -0.00888101 0.00842809 0.00854735 -0.03771899 0.02606329 0.05365568 0.00038756 -0.00518125 0.00437413 +H 6.49112192 8.42216611 6.58201510 -0.01326467 0.02454487 0.01607901 -0.09509368 -0.04272315 -0.00781068 -0.00479967 0.01193937 0.00094020 +O 7.56537413 5.67644586 5.51944345 0.00023069 -0.00774465 -0.00185253 0.00229651 -0.03329330 -0.00970911 -0.00019483 0.00089400 0.00011455 +C 8.79837892 7.68617542 5.87889685 0.00320441 -0.00029453 -0.00473605 0.00329312 -0.01508489 -0.02267008 -0.00173421 -0.00290888 -0.00104617 +H 9.12177536 7.82969129 6.85723841 -0.01256009 -0.00911954 0.01042663 -0.10117826 0.03021802 0.08128818 -0.01556534 0.01358192 -0.02451705 +H 9.61244983 7.09556379 5.50916332 -0.01148487 0.00097973 -0.01042273 -0.01386271 -0.02952564 -0.16633446 -0.00720504 -0.00017058 -0.01813145 +H 8.71695100 8.62536038 5.36843739 -0.00805770 -0.01930413 -0.02398167 -0.03409481 -0.05429353 -0.16435749 -0.00077416 -0.00972032 -0.00618536 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94093650 5.59979694 5.94699767 0.00686302 0.00028883 0.00459106 0.05981912 0.00705329 0.01103854 0.00962080 0.00161727 0.00073389 +C 2.30537758 5.98222287 5.92150960 -0.00365695 0.00620697 0.00663585 -0.01385756 0.03333200 0.06704454 0.00145681 0.00389154 0.00746393 +H 0.51808718 5.46385195 5.10942808 0.01358457 0.00859309 -0.02630257 0.18666399 0.09490939 -0.01229976 0.02208559 0.01372382 -0.01011540 +C 2.97082771 5.97149133 7.22566162 -0.00546090 -0.00132898 0.00521271 -0.04741628 -0.01976633 -0.00153003 -0.00461778 -0.00365282 -0.00305422 +H 2.59574577 6.34354346 3.79568558 -0.00083150 0.00627950 0.00691774 -0.01180777 0.01093213 -0.01561632 0.00411685 -0.00312307 0.00116826 +C 4.32049955 6.28100409 7.34034211 -0.00673837 -0.00355640 -0.00612669 -0.02934869 -0.00298225 -0.03710454 -0.00421266 0.00236257 -0.00789786 +H 2.41342735 5.59740084 8.10341027 0.02657901 -0.01260567 -0.00115454 0.08933263 -0.04763873 0.04533623 -0.01138550 -0.00290965 0.01549880 +C 5.03190478 6.78090322 6.20700927 -0.00716963 -0.00331124 -0.00451605 -0.01236419 -0.03934577 -0.01818895 0.00477288 -0.00690942 -0.00143249 +H 4.81067547 6.22631286 8.35025479 0.02329941 0.00716104 0.00610156 -0.00044472 0.02274192 -0.16728701 -0.00325433 -0.00452661 -0.00522008 +C 4.44713431 6.71123756 4.89341069 0.00703872 -0.00268197 -0.00284585 0.02323971 -0.00518337 -0.01474625 -0.00448239 -0.00101388 0.00250120 +N 6.39606070 7.07005763 6.49244182 0.00206301 -0.00005571 0.00004554 -0.00917268 -0.00212395 -0.03303887 -0.00473218 -0.00087901 -0.00834109 +C 3.06809678 6.30157016 4.75936627 0.00082642 0.00064351 -0.00371069 0.01455206 0.01620068 0.00385231 0.00166549 0.00366288 0.00590610 +H 5.06043073 7.11409078 4.01188959 0.01229390 0.02126584 -0.00949858 -0.09238120 -0.02941527 0.05775043 -0.00018524 -0.00678259 -0.02189721 +C 7.42331615 7.26174060 5.62413300 0.00056095 0.00320649 -0.00314016 -0.00209418 0.00159546 -0.02161398 -0.00105226 -0.00301430 -0.00126144 +H 6.67756525 6.98191591 7.46174396 -0.00498367 -0.00236059 -0.01182894 -0.01598024 0.00240952 -0.01423495 -0.00131411 0.00435646 -0.00276743 +O 7.35592449 7.33146518 4.37703682 -0.00124563 -0.00231684 -0.00159445 -0.00956921 -0.01367501 0.00130683 -0.00138259 -0.00152526 0.00106832 +C 8.78422849 7.22507840 6.27613677 -0.00204275 0.00037631 0.00563400 -0.00185111 0.00816328 0.03233793 0.00297217 0.00625358 0.00475104 +H 9.21545507 8.13086960 6.09136295 -0.02311769 0.00371731 0.01759246 -0.08369275 0.19639610 0.14025059 -0.01715748 -0.00594908 0.02488511 +H 8.68491459 7.06725584 7.33054555 0.01007633 -0.00089685 -0.00536860 0.06976022 -0.02870783 0.08299442 0.00429293 -0.00585754 0.00536166 +H 9.53258519 6.56811808 5.86856013 0.02357934 0.00711529 0.00938764 0.01229384 0.00814923 0.02649691 -0.02052069 0.00299406 -0.00273907 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94701746 5.78558717 5.95586767 0.00591840 0.00195062 0.00422454 0.04245442 0.02747459 0.02732997 0.00520798 0.00332612 0.00359791 +C 2.26198002 6.15026446 5.86752098 0.00592878 0.00633532 -0.00302778 0.03937548 0.01580134 -0.01796940 0.00552050 -0.00333760 -0.00243076 +H 0.76032407 4.86784307 5.89510877 -0.01387863 0.03014790 0.01935321 -0.05789962 0.01057941 0.11006411 0.01150776 0.01289245 0.01201869 +C 2.59660888 7.49973251 6.08205373 -0.00867179 -0.00154255 0.00265959 -0.01563933 0.01093584 -0.00270107 0.00585189 0.00444147 -0.00300132 +H 3.17446164 4.10417960 5.49219703 0.00807296 -0.02175056 0.00140896 -0.06093401 0.06596467 0.04379643 -0.02369373 0.00129804 0.00506565 +C 3.95089501 7.92405568 6.00086736 0.00261243 0.00341958 -0.00481075 -0.00265350 -0.00670623 -0.03281208 -0.00233702 -0.00486508 -0.00400896 +H 1.82912407 8.29347020 6.10049248 0.01321923 0.00276647 0.01839197 -0.01015451 -0.03213040 0.19537275 -0.02076738 -0.00574920 0.03232170 +C 5.00058891 6.94713160 5.89949278 0.00088743 -0.00258779 -0.00603497 0.01942015 0.00491926 -0.03497541 0.00331675 0.00306411 -0.00411203 +H 4.06430154 9.01014878 5.98598029 0.00033517 -0.00411383 0.00481871 0.12646082 -0.03111643 0.09517491 0.02731043 -0.00513551 0.01871097 +C 4.67059097 5.57165825 5.72004507 0.00434123 -0.00220764 0.00083048 0.00370274 0.00800634 0.01422518 -0.00196568 0.00332470 0.00281004 +N 6.33365499 7.43324924 6.03328184 0.00639096 -0.00425922 -0.00161582 0.01050846 -0.04325018 -0.02064982 -0.00517244 -0.00678350 -0.00360546 +C 3.29488783 5.20285072 5.64439173 0.00605763 -0.00198066 -0.00481259 0.04897984 -0.02127555 -0.02554880 0.00536111 0.00084216 -0.00159874 +H 5.45886629 4.79679864 5.75133187 -0.03028636 0.00833710 0.02199552 -0.05915756 -0.05454161 0.06012217 0.01643472 -0.01744703 -0.00476366 +C 7.51922269 6.77807144 5.89086371 -0.00593882 -0.00303542 0.00005876 -0.02779841 0.00358310 0.01231915 -0.00073251 0.00140669 0.00317296 +H 6.45670905 8.41298175 6.17941905 0.00165195 0.00670598 0.02215329 -0.03115394 -0.07750526 0.11924851 -0.00710008 -0.02504623 0.00984198 +O 7.75670981 5.58961719 5.73412121 -0.00053232 0.00168750 -0.00071909 -0.01294056 0.00493321 -0.00900162 -0.00315989 -0.00004229 -0.00182340 +C 8.66747176 7.76022733 6.05935083 -0.01332976 -0.00189005 0.00791755 -0.08538285 -0.00833825 0.03363954 -0.01130465 0.00030183 0.00507125 +H 8.27769057 8.76395322 6.23104116 -0.04463528 0.00033841 -0.01624802 -0.15079701 -0.03202603 -0.07273550 0.00460811 -0.00421879 0.00001593 +H 9.18682970 7.41833722 6.94055002 0.00226759 0.01161058 0.00090932 0.06535249 0.12093545 0.01010623 0.00328004 0.02339739 -0.00756703 +H 9.32895818 7.76503920 5.14340123 -0.01437258 0.00897533 -0.01994088 -0.19792392 0.03393427 0.07622357 -0.01642424 0.00044759 0.00511667 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00025098 5.86510508 5.83030782 0.00416740 0.00480032 -0.00175633 0.04390983 0.02426117 -0.01086017 0.00572610 0.00302709 -0.00124190 +C 2.38265964 5.90595129 5.83045028 0.00185368 -0.00233476 -0.00005542 -0.01575173 0.00185868 0.01103881 -0.00423868 0.00169412 0.00382597 +H 0.82441454 6.76453128 5.53722933 0.00759361 -0.00259984 0.04114179 -0.13094638 0.04461010 0.26186753 -0.03031471 -0.00379093 0.03370199 +C 3.15327540 4.93230611 6.48166674 -0.00458817 0.00319401 0.00235040 -0.01524646 0.01889696 0.01651294 -0.00040301 0.00073559 0.00188673 +H 2.21247149 7.85025958 5.00385729 0.02322858 -0.00818801 0.01293183 0.18084882 0.08017453 0.00569233 0.02351193 0.00990938 -0.00305281 +C 4.54738121 5.11647298 6.57983795 0.00277552 -0.01088454 0.00130490 0.01169810 -0.06051671 0.00725470 -0.00038567 -0.00479461 0.00063252 +H 2.70976811 4.10695793 7.03054396 -0.01756295 0.01258742 -0.01936934 -0.15348480 -0.00984648 -0.15816273 -0.01554299 -0.01015856 -0.02064886 +C 5.16133630 6.28833204 6.07793450 -0.00204858 0.00272548 -0.00232770 -0.02076594 0.00891610 -0.00636369 -0.00241477 -0.00188244 0.00137115 +H 5.11930592 4.36365998 7.08419302 -0.01865073 -0.02271818 0.01104210 -0.06708132 -0.11070383 0.05398157 0.00041779 -0.00045819 -0.00320330 +C 4.31059226 7.25621388 5.50828363 0.00239512 -0.00083141 -0.00378251 0.01481826 0.01997201 -0.04767942 0.00096592 0.00327624 -0.00804279 +N 6.50432174 6.54478523 6.28490356 0.00120148 0.00342221 -0.00068724 -0.00001992 0.00583178 -0.00179436 -0.00040115 -0.00203905 0.00053738 +C 2.92904746 7.14248830 5.40078148 0.00036874 -0.00668963 0.00591230 0.01124396 -0.07527434 0.04230542 0.00426274 -0.00889215 0.00367211 +H 4.66524668 8.16712234 5.05582101 0.00993565 0.00466046 -0.02482416 0.06109248 -0.02423133 -0.04543373 0.00509708 -0.00023892 0.00586676 +C 7.32607401 7.44719245 5.76604858 -0.00374932 0.00857353 0.00228327 -0.01007424 0.04914548 0.02118586 -0.00004215 0.00532873 0.00285325 +H 6.87481061 5.91194271 6.94780366 0.00750760 -0.00311660 -0.01773528 0.14112663 -0.04500063 -0.10118950 0.01556888 0.00306777 -0.02182718 +O 6.98615064 8.33606693 5.03551028 0.00138186 0.00209665 -0.00640147 0.00774541 0.02737632 -0.05626407 0.00121468 0.00513752 -0.00884522 +C 8.79093470 7.36271721 6.17060540 -0.00708736 -0.00467190 0.00642981 -0.03269963 -0.01309602 0.04888214 -0.00328799 -0.00304667 0.00544319 +H 9.18185213 6.37189690 6.23503507 0.00869934 0.00086621 -0.03096206 -0.02082399 -0.05057660 -0.14611078 -0.02361641 0.00370185 -0.00399090 +H 9.46442052 7.91647434 5.48097267 0.01529314 -0.00602807 -0.00331343 -0.06382776 -0.05542883 0.08516283 -0.01599446 0.00944796 0.01430541 +H 8.88854001 7.85840507 7.17341247 -0.02070383 -0.00237674 0.02575965 -0.08995876 -0.13267611 0.02473523 0.00233846 -0.02240011 0.01276018 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98910036 5.54725919 5.68885844 0.00706974 0.00229778 -0.00107328 0.04901146 0.01503404 -0.00847589 0.00453711 0.00163772 0.00075803 +C 2.27584333 6.00395086 5.76326092 0.00021499 -0.00265721 0.00023938 0.01752051 -0.00514006 -0.01531112 0.00537024 0.00036293 -0.00277424 +H 0.61680557 5.51943931 6.54292461 0.00831982 0.00824318 -0.02362869 -0.03872867 0.01748144 -0.00685754 0.00172405 -0.00124138 -0.01507383 +C 2.80203433 6.61754171 4.58927733 -0.00545639 -0.00477689 0.00139995 0.00995288 -0.04015244 0.01936645 0.00607396 -0.00541255 0.00351666 +H 2.66367938 5.36323497 7.78376035 -0.01846512 0.00548181 -0.00592646 -0.01171280 0.05555100 -0.01568783 0.00783083 -0.00069383 0.01622054 +C 4.21332710 7.00114127 4.58024177 -0.00167873 -0.00388592 0.00197427 -0.05054603 -0.02196846 -0.00636470 -0.00985046 -0.00169395 -0.00094707 +H 2.27412829 6.54314257 3.61789525 -0.01912179 0.01907008 0.01907535 -0.16133711 0.21408044 0.16595190 -0.02193618 0.03503530 0.01762881 +C 5.04892977 6.89612721 5.67877410 0.00360281 0.00291228 -0.00138937 0.01492045 -0.00878030 -0.00215854 -0.00103253 -0.00468843 -0.00190044 +H 4.66230637 7.29790687 3.60704285 -0.01071702 0.03119336 0.01679922 -0.12265500 0.20251777 0.10643877 -0.01733471 0.02753628 -0.00557132 +C 4.47115461 6.29952800 6.86765080 0.00263703 0.00972846 -0.00429424 0.00536320 0.05577058 -0.01801287 -0.00347212 0.00423619 -0.00158234 +N 6.42082931 7.05015846 5.39458016 0.00213170 -0.00128415 -0.00156430 0.00570205 -0.00581864 -0.00637065 0.00074465 -0.00093305 0.00127367 +C 3.11130901 5.86332703 6.89991749 -0.00298107 -0.00258770 0.00128975 -0.01371361 -0.00455015 -0.00276537 0.00152079 0.00318319 -0.00354851 +H 5.03535845 6.13091914 7.80655181 0.00483714 -0.02120592 -0.00120932 0.04434482 -0.07436585 -0.14644546 0.01903028 -0.00010715 -0.01407348 +C 7.45773557 7.05026408 6.23509453 -0.00270862 -0.01020394 0.00692816 0.01574877 -0.04881580 0.00797754 0.00489477 -0.00347366 -0.00349002 +H 6.57823722 7.24290534 4.40276084 0.00388898 -0.00424373 -0.00419399 0.10925329 -0.04338868 0.03046889 0.02257472 -0.00522452 -0.00236017 +O 7.31281268 6.95672206 7.42154829 -0.00243531 0.00371554 0.00149019 -0.01571455 0.01996870 0.03407400 -0.00164825 0.00191112 0.00728921 +C 8.92880762 7.31510526 5.67063050 -0.00108460 -0.00242201 -0.00584018 -0.04470552 -0.01222649 -0.00798885 -0.00899754 -0.00265384 0.00167711 +H 8.92170417 8.17158012 4.96270604 -0.00768336 0.02508739 0.02825364 -0.03431848 0.08198624 0.18414147 -0.00708638 0.00761547 0.01424841 +H 9.52201404 7.54896646 6.56544609 0.01445652 0.00268194 0.00066240 0.06239839 -0.01726448 -0.12713598 0.00545707 -0.00999803 -0.02088154 +H 9.30326597 6.39885093 5.24675949 0.01013115 0.02163635 -0.01837885 0.08670715 0.11181043 -0.20768380 -0.00100814 0.02454247 -0.02773934 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00398518 5.63106829 5.83517282 0.00122003 -0.00193967 -0.00609984 0.01753111 -0.00556906 -0.03729810 0.00169884 0.00113755 -0.00704026 +C 2.30907533 6.03362277 5.98863719 -0.00517228 0.00463474 0.00419388 -0.02897311 0.01700390 0.00253107 -0.00047300 0.00120081 -0.00357719 +H 0.73627273 6.12067476 5.09109641 0.01872741 -0.02223450 0.00252520 -0.04311344 -0.12794493 -0.13597512 -0.01253636 -0.03389409 -0.00139536 +C 2.96140235 5.66302974 7.16018475 -0.00317642 0.00587865 -0.00199736 -0.01184897 0.04801068 0.00142124 -0.00197683 0.00636615 0.00286974 +H 2.48631936 7.01063634 3.98783648 0.00059719 0.01277936 0.00754455 0.06752788 -0.04253177 0.09714444 -0.00023841 -0.00965733 -0.01499306 +C 4.33967705 6.05580674 7.23407696 -0.00231150 0.00408905 0.00071197 -0.01667786 -0.00493896 0.03436989 -0.00051120 -0.00473881 0.00658633 +H 2.44278895 5.23529572 7.95575941 -0.03458886 -0.03346930 0.00993896 -0.04319538 -0.07591518 -0.08735955 0.02768554 0.01855545 -0.03441641 +C 5.12313979 6.49115130 6.18869890 0.00647110 -0.01028955 0.00401287 0.04141067 -0.03496346 0.00824087 0.00168866 0.00054455 -0.00164771 +H 4.88146175 5.91295954 8.18611264 0.01313846 -0.00183619 -0.02677283 0.02723074 -0.08217783 -0.04018607 -0.00253484 -0.02323297 0.02976570 +C 4.43711298 6.84834763 5.00408409 -0.00473376 0.00162901 0.00350241 -0.02910287 0.00288220 0.03195510 -0.00152796 -0.00175603 0.00772667 +N 6.50766363 6.74701505 6.46153991 0.00391126 0.00393957 -0.00310173 0.00698831 0.00612012 -0.02356254 -0.00215392 -0.00225434 -0.00413266 +C 3.02040537 6.61916250 4.89989903 0.00683111 -0.00241980 0.00292175 0.03117996 -0.00402045 0.03069445 0.00066679 -0.00030191 0.00858827 +H 4.95890660 7.35881486 4.16352683 -0.01323649 0.00330213 0.00495118 -0.12796373 -0.01023400 0.03173478 -0.00558428 0.00613086 -0.01296992 +C 7.40671226 7.24314150 5.59773655 0.00038471 -0.00442334 -0.00017639 0.00148276 -0.01450201 0.00829201 0.00056525 0.00187386 0.00021518 +H 6.90227881 6.45647509 7.35205653 0.02048345 -0.01031474 0.00884356 0.00782196 0.00130539 -0.07844979 -0.00711972 0.00241821 -0.00482666 +O 7.16631894 7.66101797 4.47935384 -0.00526373 0.00184859 -0.00254963 -0.02647867 0.00966893 -0.01657856 -0.00207603 0.00036797 -0.00098603 +C 8.76209933 7.38270350 6.24050093 0.00162354 0.00168445 -0.00009689 0.02867910 0.01436464 0.00586041 0.00490802 -0.00148288 -0.00090136 +H 9.19316031 8.42753197 6.09945216 0.00002521 0.00292637 -0.00666689 -0.06613356 -0.04295417 -0.00813364 0.00048004 0.01852859 -0.00379040 +H 8.77129699 7.09036836 7.31484930 0.02082557 -0.00439875 0.01526979 0.10020186 0.06957899 -0.04490068 0.00550595 0.01720403 -0.00180287 +H 9.50348189 6.76599881 5.76630992 -0.01514587 -0.00938467 0.00898731 -0.06990666 -0.12327211 -0.02130049 -0.00953640 -0.00894726 -0.00739533 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03959430 5.64549911 5.71707754 -0.00065751 -0.00045509 -0.00230524 -0.01357516 -0.00798293 -0.01956108 -0.00122280 -0.00165565 -0.00206356 +C 2.34518420 5.90497788 5.92978568 0.00372664 0.00384530 -0.00000813 0.01574422 0.03520389 0.00032245 -0.00128842 0.00484332 0.00054520 +H 0.62568314 5.87068597 4.90744408 -0.00240607 -0.01107058 -0.03071027 0.12464744 -0.07847567 -0.06673695 0.02457396 -0.00794038 -0.00979981 +C 3.01807841 5.44188703 7.07303603 -0.00546450 -0.00144679 0.00175073 -0.03805568 -0.01333973 0.00764453 -0.00276698 -0.00045358 -0.00060865 +H 2.49645343 7.27725383 4.21332881 -0.01771275 -0.04753700 0.01414047 -0.14713167 -0.28272993 -0.03691641 -0.00729163 -0.01962720 -0.02171420 +C 4.36417518 5.78189149 7.21125722 -0.00662282 0.00226413 0.00098671 -0.02734522 0.00903622 0.00997500 -0.00101470 -0.00077793 0.00362112 +H 2.49850621 4.78673735 7.77504165 0.00847214 -0.01448623 0.01805989 0.07859880 -0.01766031 0.03542051 -0.00061471 0.00104384 -0.00142905 +C 5.03947313 6.59063818 6.27119394 0.00214020 0.00074218 0.00465198 0.04295328 0.00830339 0.04293119 0.00774135 0.00133135 0.00659349 +H 4.98560822 5.34642812 7.95061278 -0.01512213 -0.00712577 0.00327906 -0.15319573 -0.03328888 0.11761922 -0.02940398 0.00672356 0.01360869 +C 4.37799705 7.11591666 5.16365784 0.00780480 0.00756407 0.00305710 0.01612770 0.02739429 0.03670203 -0.00289327 0.00065256 0.00794535 +N 6.42560128 6.82877582 6.49693564 0.00192958 -0.00917497 0.00281809 0.03308932 -0.05673502 0.00377527 0.00658988 -0.00639391 -0.00226541 +C 3.00920617 6.76822704 5.03900765 0.00150554 0.00000997 -0.00136498 0.02621043 0.00888631 -0.01488793 0.00435930 0.00107329 -0.00264835 +H 4.91232315 7.71535609 4.38855060 -0.00439594 -0.00107807 0.03326892 -0.03557991 0.12617134 0.10458011 0.00124781 0.03535443 -0.00989253 +C 7.39883943 7.26684794 5.63128083 -0.00022776 -0.00303639 0.00345804 -0.02546298 0.00321604 0.00316435 -0.00583702 0.00364023 -0.00422269 +H 6.86670768 6.66146282 7.41171135 0.02852785 0.00675334 -0.00920656 0.01840710 -0.06029628 -0.01932660 -0.01387152 -0.02725478 0.01809714 +O 7.17906358 7.73922835 4.51653167 0.00299917 0.00174775 -0.00447603 0.01914202 0.00139070 -0.02165262 0.00190979 -0.00150040 -0.00111030 +C 8.83130591 7.33672161 6.11103225 -0.00583557 0.00311127 -0.00647432 -0.03954385 -0.01049998 -0.03625367 -0.00406851 -0.00122087 -0.00138099 +H 9.53540396 7.70838197 5.37745427 -0.00530740 -0.00097231 0.00855070 -0.03157575 0.13882659 0.01205947 -0.01747829 0.03237976 0.00044708 +H 8.93632352 7.69178867 7.08765279 -0.03275861 0.01772701 -0.01894223 -0.15576141 0.21953561 -0.03597087 -0.01009663 0.01649536 -0.02590200 +H 9.09683376 6.26164199 6.20967133 0.01215336 0.00922241 -0.02214196 0.10341527 0.06827600 -0.10003905 0.01919131 -0.00652715 0.00113617 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.12452596 5.58126575 5.92878939 -0.00117522 0.00066654 0.00086606 -0.01247348 0.00975786 -0.00528578 -0.00190849 0.00174674 -0.00119508 +C 2.35956225 6.14244633 5.77172125 0.00268630 0.00008064 -0.00356149 0.01285749 0.00094454 -0.02567671 0.00055182 0.00005845 -0.00263105 +H 0.84246137 5.30528882 6.75200923 0.00635119 -0.03220330 0.00018052 0.13119460 -0.17284095 -0.02856300 0.03328532 -0.00987878 -0.02721294 +C 2.82356747 6.73580598 4.56045496 -0.00171996 -0.00077551 -0.00155303 0.00133693 -0.01116958 -0.01628101 0.00284797 -0.00332900 -0.00094366 +H 2.90261888 5.56427632 7.79360499 -0.00048890 -0.01551545 -0.00825039 -0.00525125 -0.04770611 -0.12148449 -0.00550799 -0.00535867 -0.00188350 +C 4.20168774 7.11625491 4.45101393 -0.00035325 0.00206656 0.00039435 -0.01506804 -0.00035564 0.02604653 -0.00357758 -0.00091706 0.00325869 +H 2.18471526 6.84522493 3.65010836 -0.00081822 -0.03219570 -0.00588031 0.00553401 -0.21134941 0.04711327 -0.01051747 -0.01940592 -0.00659207 +C 5.05872515 6.93087116 5.59309132 -0.00559197 0.00168985 0.00256801 -0.04686301 0.00543370 0.00514395 -0.00279784 0.00004978 0.00101185 +H 4.62735081 7.42345595 3.53393468 0.00859119 -0.01041914 0.00577515 0.00868184 0.00792097 -0.01373777 -0.01480261 0.00447231 0.01201267 +C 4.55182658 6.37016641 6.79066956 -0.00208477 -0.00311207 0.00392396 -0.00368661 -0.00038786 0.00919939 0.00205968 0.00264020 0.00066751 +N 6.35218363 7.25626164 5.42241657 0.00554815 -0.00343575 0.01051007 0.03491925 0.00247735 0.04954163 -0.00076347 0.00357507 0.00294784 +C 3.22184471 6.01387961 6.84545498 0.00764142 0.00853188 -0.00527209 0.02373391 0.03287503 -0.00670263 -0.00253538 0.00078425 0.00074980 +H 5.14859527 6.23007152 7.62933689 0.01187689 -0.01331686 0.00440096 -0.06322123 -0.08280803 0.09114554 -0.03159843 -0.00358042 -0.00261460 +C 7.35924564 6.89163599 6.22020173 0.00020178 0.00523471 -0.00623552 0.03173507 0.01195947 -0.02171336 0.00829013 -0.00341322 0.00260701 +H 6.65096393 7.86572861 4.66974140 -0.02553335 0.02071957 -0.00341884 -0.18870088 0.04405564 0.07813574 -0.00914772 0.00595560 0.01105158 +O 7.23425245 6.04851009 7.09486754 -0.00343787 0.00106790 0.00158965 0.00016541 0.01160647 0.00589607 0.00360997 0.00286203 -0.00054100 +C 8.73891377 7.57154051 6.00873119 0.00018231 -0.00336744 -0.00647244 -0.01295507 -0.01717400 -0.03771139 -0.00507281 -0.00187722 -0.00375113 +H 9.58231717 6.99739092 5.52349048 -0.00490672 -0.02365898 -0.00174421 -0.17257535 -0.12415702 0.00197926 -0.01912961 -0.02006820 -0.01584650 +H 8.56999740 8.50762640 5.42922286 -0.00798530 0.01678811 0.02526847 0.03992052 0.04177599 0.15809178 0.01841864 0.00789329 0.00331904 +H 9.03537817 7.84435722 7.05848912 -0.00242576 -0.01329554 -0.00822266 0.06069716 -0.09205269 -0.10415620 0.02539087 -0.01131872 0.00281197 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.06208974 5.62366551 5.86916952 0.00500673 -0.00168223 0.00036775 0.00684572 -0.01247200 0.00629810 -0.00259529 -0.00124507 0.00159298 +C 2.29596538 6.08063038 5.95394552 -0.00345348 0.00048752 -0.00085246 0.03325725 0.01872267 -0.02354334 0.01044029 0.00345607 -0.00581419 +H 0.46835712 6.27805273 6.09657580 -0.00855330 -0.00263466 0.01161160 -0.04738414 -0.07725588 0.06577928 0.00317938 -0.02468009 0.00500771 +C 2.59046800 7.41273865 6.39924552 0.00352327 0.00055018 -0.00049810 0.01825733 -0.01345889 -0.00155779 -0.00289842 -0.00376719 0.00093418 +H 3.06295777 4.36961025 4.91188689 0.00880764 -0.01037076 0.00999275 0.09875201 -0.05932326 0.05185256 0.01508459 -0.00132209 0.00797957 +C 3.98224272 7.79526070 6.42539587 -0.00706411 -0.00614620 0.00179237 -0.07607586 -0.01489054 0.03933138 -0.00718190 0.00277292 0.00811441 +H 1.89283278 8.10133121 6.74503873 -0.01789425 0.01382527 0.01137319 -0.04263772 -0.05108595 0.02852471 0.01868980 -0.03610292 -0.00951456 +C 4.97355948 6.97923446 6.01065429 -0.00024158 0.00764311 -0.00291710 0.03052481 0.02063187 -0.04747551 0.00665422 0.00287270 -0.00770580 +H 4.18530416 8.69832470 6.92375950 -0.00560779 -0.00186931 0.00181046 -0.01945327 0.04532145 -0.03006423 -0.00987343 -0.00209299 -0.01330302 +C 4.64720616 5.74128710 5.35313386 0.01132915 0.00507134 -0.00148238 0.06793945 0.06238334 0.00162003 0.00663607 0.00675507 -0.00053695 +N 6.28622537 7.44127848 6.07727645 0.00216124 0.00880602 -0.00136941 0.02468834 0.06888605 -0.01024337 0.00247626 0.01050979 -0.00165719 +C 3.34749283 5.30026111 5.36706141 0.00467433 -0.00138154 0.00066953 0.00545783 -0.00664185 0.01477135 0.00141267 0.00039860 0.00291555 +H 5.38403510 5.26836033 4.76439655 0.00577020 0.01756564 0.01917743 0.13322655 -0.08186526 0.09705457 0.00201351 -0.01835061 0.02161774 +C 7.49623509 6.82805064 5.87859240 -0.00285568 0.00368123 0.00584888 -0.04064934 0.01385228 0.03128925 -0.00651837 -0.00344734 0.00145149 +H 6.41862886 8.40967361 6.29124329 -0.00166249 0.01797119 -0.01403418 -0.05189859 0.08816078 -0.07225899 -0.00750460 0.00671411 -0.00566004 +O 7.60726552 5.66011621 5.60109323 -0.00541529 -0.00548245 -0.00194553 -0.03478036 -0.03596750 -0.01036459 -0.00479439 -0.00269422 -0.00020942 +C 8.73691020 7.70001923 6.00655742 -0.00420160 -0.01021359 -0.00194185 -0.02641051 -0.07191379 -0.00923080 -0.00119664 -0.01074848 -0.00154538 +H 9.01856359 8.04273509 5.03395992 0.00006756 -0.00005744 -0.01527187 -0.05411802 0.05812835 0.01373199 -0.01810928 0.00926653 0.02686944 +H 8.54273428 8.48540103 6.77303924 -0.03353497 -0.02514434 0.01494627 -0.09635161 -0.15553849 -0.01594834 0.00686646 -0.00340658 -0.00313332 +H 9.52372563 7.07226660 6.33266728 0.00868007 -0.01426527 -0.00290870 0.03360128 -0.05842641 0.00619472 -0.01502288 0.00680479 -0.00273961 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96063713 5.80900313 5.86602800 0.00052866 0.00000292 -0.00004934 0.02595821 0.00289102 -0.00241881 0.00437885 -0.00105276 -0.00287407 +C 2.33084785 6.09102850 5.90040586 -0.00098341 0.00616404 -0.00472995 -0.05011748 0.05012737 -0.00875811 -0.00833453 0.00575464 0.00067132 +H 0.82655376 5.31463523 5.10606978 0.01960549 -0.00344103 0.01859435 0.01313376 -0.12325584 0.03662421 -0.00717260 -0.00246067 0.02995116 +C 2.68214521 7.17787123 6.74352254 0.00256732 -0.00158571 0.00593974 0.01584399 -0.02762531 0.02694016 0.00194887 -0.00598376 0.00045337 +H 2.96576148 4.51340464 4.53796599 -0.01832073 -0.04032478 -0.00443527 -0.02441753 -0.02470288 0.11645759 0.00569454 0.01149647 0.01828795 +C 4.00856273 7.56473900 6.90646823 -0.00134190 0.00085394 0.00013395 0.00183408 -0.01924893 -0.01169531 0.00242552 -0.00514111 -0.00290602 +H 1.88398002 7.69314904 7.36906571 0.02506115 -0.00425602 -0.02866658 0.03818116 0.05117969 -0.10535358 -0.02785982 0.02734483 0.01393896 +C 4.98567955 6.86360813 6.11508472 0.00174430 -0.00230807 0.00350166 0.01127736 0.00731372 0.02408314 0.00124305 0.00245167 0.00143290 +H 4.17554580 8.31515361 7.68172596 -0.01455291 0.00139403 -0.01127302 0.03689077 0.08594750 -0.13702830 0.02121457 0.01909696 -0.02444874 +C 4.57922506 5.78646434 5.29202875 0.00126467 0.00254639 0.00208036 0.01033253 -0.00358895 -0.00566723 -0.00167401 -0.00141646 -0.00033255 +N 6.28446781 7.39189517 6.13122670 0.00106794 0.00352225 -0.00196382 -0.00106823 0.01525023 0.00438934 -0.00010080 -0.00102058 0.00163016 +C 3.24605374 5.34828375 5.18125714 -0.00320762 -0.00264073 0.00004329 -0.01048757 -0.01694449 -0.00245588 -0.00013865 0.00150546 0.00215272 +H 5.31555574 5.24793899 4.60839320 -0.01297692 -0.01114846 -0.00068424 -0.05047985 -0.00786340 0.09469438 0.03151566 -0.01381526 -0.00177161 +C 7.46216602 6.91046535 5.71716593 0.00349628 0.00265477 -0.00464937 0.04528788 0.01887415 -0.03085658 0.00596254 0.00180343 -0.00402706 +H 6.36600540 8.20453700 6.74392195 -0.02386493 0.00384569 0.02328126 -0.08643715 -0.04023512 0.01724293 0.00609683 0.00583683 -0.00348776 +O 7.76009421 5.93290330 5.06083564 0.00235219 -0.00491647 -0.00572416 -0.00601552 -0.03835896 -0.04141662 -0.00371199 -0.00457298 -0.00537904 +C 8.69687728 7.68261124 6.11849301 -0.00569767 0.00520088 0.00724780 -0.02471765 0.03274203 0.05738999 -0.00206446 0.00544287 0.00731956 +H 9.01180019 8.32989114 5.31562264 0.00312829 -0.02228925 0.00791382 0.07672183 -0.08200777 -0.02800242 0.01358028 -0.00686916 0.00071985 +H 8.51345517 8.32928602 6.97957269 -0.00395221 -0.01305421 -0.01892080 -0.12508163 0.08953937 0.03011560 -0.02306919 0.02994668 0.01685971 +H 9.57105689 7.10823737 6.49095506 -0.00897818 -0.01139074 0.01911332 -0.17130200 -0.09385060 0.02637956 -0.02165756 -0.01973157 0.00152208 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.91250307 5.91633972 5.71361454 0.00209808 0.00274712 -0.00040318 0.03416685 0.01745526 -0.02192821 0.00632173 0.00250872 -0.00356346 +C 2.28892958 6.13467715 5.89117251 -0.00135324 -0.00306216 -0.00177407 -0.01728255 -0.02503191 0.01085378 -0.00023177 -0.00388158 0.00339035 +H 0.78240957 5.69674318 4.80560297 0.00345700 -0.00772278 -0.02367090 -0.01848299 -0.02575749 0.03430646 -0.01139632 -0.00840166 -0.00111080 +C 2.70938907 6.75088843 7.10418774 -0.00366446 -0.00607497 0.00614838 -0.00613908 -0.03391587 0.01826499 0.00185504 -0.00268396 -0.00077132 +H 3.09505012 5.09897621 4.06644688 0.02596937 -0.03943643 0.00351671 0.01388102 -0.14020982 0.11767388 -0.02405664 -0.00594037 0.00974699 +C 4.10284502 7.01320671 7.28840734 -0.00095705 -0.00012885 0.00294664 -0.03040023 0.00961099 0.02604036 -0.00655596 -0.00047461 0.00006183 +H 1.94844857 7.12050928 7.80385914 0.01394303 0.01881183 0.00053050 0.07942051 0.08002440 0.01541639 -0.00088229 -0.00001087 0.00660227 +C 5.07071151 6.57617085 6.36827116 -0.00974579 0.00300440 0.00185430 -0.02875667 0.02113122 -0.01034150 0.00423138 0.00482428 -0.00236851 +H 4.32949248 7.73912145 8.13854618 0.01323945 0.00238170 -0.01012700 0.12827612 -0.09992062 -0.05719413 0.02385201 -0.00119142 0.02853734 +C 4.61880010 5.83211137 5.23210550 0.00643094 0.00391661 -0.00070951 0.06093234 0.03598929 0.00770950 0.00461788 0.00538180 0.00242709 +N 6.43309737 6.92711188 6.50012091 0.00328608 0.00282220 0.00053515 0.02185624 0.01999614 0.01380648 0.00168663 0.00245817 0.00176845 +C 3.27132822 5.65031198 4.99715532 0.00222067 0.00594353 -0.00550544 0.01358821 0.02130333 -0.04834766 0.00303018 0.00111846 -0.00419612 +H 5.42199982 5.48493690 4.54483027 0.02799870 -0.01757811 0.01451252 -0.02255947 -0.10871875 0.11035397 -0.00524714 -0.01901732 -0.00118858 +C 7.45954919 7.07891991 5.61905889 0.00580719 0.00294836 -0.00493481 0.00951225 0.02423121 -0.03232869 -0.00452842 0.00337829 -0.00116888 +H 6.71912456 7.14371342 7.45284224 0.01016473 -0.00857292 0.00109902 0.03743932 -0.02707752 0.00406376 0.00327680 0.00348609 0.00910489 +O 7.34119242 6.89507205 4.40777864 -0.00972850 -0.00561230 0.00386706 -0.06617049 -0.04083588 0.01954355 -0.00874688 -0.00592615 0.00047967 +C 8.81042575 7.63058302 6.07683292 0.00052894 -0.00286906 -0.00285529 0.00702353 -0.02073582 -0.00842186 0.00188618 -0.00515451 -0.00022596 +H 9.62240862 7.33332552 5.41778476 -0.01327399 0.03232397 -0.00873769 -0.03406339 0.08918145 -0.13105725 -0.00090706 -0.00410636 -0.01606508 +H 8.92019428 8.76618586 6.03722713 0.00795801 -0.01687868 0.01252292 -0.07668049 -0.09172595 0.15990926 -0.02663045 0.02210875 0.02886091 +H 9.05593067 7.19369147 7.03092098 -0.00527775 -0.00089333 0.00548903 -0.00400077 0.02919779 0.02829261 0.00575451 0.00326981 -0.00613852 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95814530 5.75423503 5.80596584 -0.00173383 -0.00094199 -0.00038278 0.00993428 0.00724260 -0.00629934 0.00337334 0.00206024 -0.00149929 +C 2.29632219 6.16336421 5.75872026 -0.00001950 0.00116325 0.00383901 -0.02123853 0.00549584 0.03194659 -0.00476321 0.00029691 0.00506620 +H 0.91104821 4.79278337 5.76500556 -0.00054502 0.01893644 -0.01125301 -0.05481886 0.00632910 -0.09453766 -0.01118482 -0.00285295 -0.01386874 +C 2.63130818 7.49761128 6.08792542 -0.00448171 0.00504279 0.00271979 -0.04557741 0.01944894 0.03404585 -0.00846516 -0.00005247 0.00579059 +H 3.11777257 4.14612810 5.37373477 -0.01437315 0.01418665 0.00420485 -0.12411023 0.02733654 -0.00843043 -0.02052311 -0.02340286 -0.00754037 +C 3.95714618 7.83863850 6.32476501 -0.00706853 0.00121720 0.00343737 -0.01956625 -0.00073643 -0.00710653 0.00015158 -0.00117068 -0.00537288 +H 1.89781150 8.21647269 6.40270442 -0.01326295 0.00426148 -0.02007656 -0.12512719 0.02738867 -0.19292520 -0.01118597 -0.00080420 -0.02740677 +C 4.97680978 6.90769446 5.99852356 0.00209154 0.00160623 -0.00560361 -0.00922884 0.01130710 -0.01109883 -0.00231662 0.00064501 0.00213257 +H 4.27845063 8.85233910 6.59947329 0.00071556 -0.00841616 -0.01472600 -0.09107482 0.01291090 -0.03777509 -0.01941477 0.01667263 0.00429219 +C 4.65298769 5.57238534 5.73863033 0.00182149 -0.00291818 -0.00039547 0.01307606 -0.02356614 -0.01756451 -0.00032513 -0.00383121 -0.00347676 +N 6.21879881 7.41923378 6.05931362 0.00074861 0.00011709 0.00189913 0.05881506 -0.00105203 -0.00396400 0.01264980 0.00128032 -0.00321143 +C 3.33211864 5.22259697 5.57158499 -0.00366083 -0.00462322 -0.00179243 -0.03991795 -0.02659475 -0.00170599 -0.00600042 -0.00026917 0.00179833 +H 5.38946483 4.81752921 5.50072659 -0.01348120 -0.02442769 0.02794423 -0.01256755 -0.09689777 0.21227436 0.00963228 0.00356708 0.02437675 +C 7.49365232 6.86946677 5.94005579 0.00410267 -0.00004269 -0.01055374 0.01225901 -0.00445971 -0.06939677 0.00163687 -0.00237261 -0.00835460 +H 6.19206712 8.40847072 5.98812639 -0.00055475 -0.01112101 -0.00028667 0.06258804 0.03780194 0.05716823 0.02014303 -0.00220856 0.01685231 +O 7.74672441 5.68013327 5.91500026 0.00765180 -0.00200312 0.00253892 0.04065489 -0.02001182 0.01715516 0.00364865 -0.00293770 0.00198616 +C 8.72826444 7.73275134 5.76066265 0.00456111 0.00654884 0.00394631 0.00940637 0.03460057 0.00995611 -0.00360794 0.00497166 0.00553666 +H 9.27696557 7.67238749 6.65265649 -0.01654849 -0.03539640 -0.01006954 0.04348902 -0.15769565 0.07444818 0.00351766 0.00296476 -0.00513699 +H 9.34636100 7.38680291 4.83656655 0.00519284 0.01286367 0.00530572 0.00174748 0.10675513 0.13334291 0.02341456 0.00558350 -0.01523108 +H 8.44778257 8.74563995 5.55745366 -0.01985449 -0.02102564 0.01080636 -0.11941421 0.06872545 0.10769387 0.00065075 0.01785727 0.02338235 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.10481342 5.52444140 5.95869240 0.00284199 0.00006280 -0.00309505 -0.01242245 -0.00826137 -0.01792780 -0.00532265 -0.00345774 -0.00470254 +C 2.31206887 5.97678518 5.96120802 0.00139600 0.00011834 -0.00214402 0.02586261 0.02536690 0.01392607 0.00414925 0.00619510 0.00547416 +H 0.83229490 5.06154845 5.20328251 0.02761096 0.00428970 0.00988278 0.14650597 -0.04587309 -0.08574395 0.01826084 0.00495134 0.00541259 +C 2.80300934 6.51749092 7.15455067 0.00248311 -0.00266526 -0.00456037 0.01525466 -0.02906653 0.00481271 0.00057128 -0.00514864 0.00589576 +H 2.81058872 5.88085251 3.83549392 0.02122880 -0.00972272 -0.00695287 -0.01055143 -0.10347740 0.05783860 -0.01627094 -0.01224150 0.03169095 +C 4.17978889 6.84295397 7.29464036 -0.00520631 0.00237882 0.00290082 -0.04238893 0.02530008 0.01535205 -0.00126629 0.00610618 0.00320246 +H 2.21407490 6.53055502 8.05847668 -0.01296049 -0.00613158 0.00929303 -0.04526776 -0.04116781 -0.07694178 -0.00449885 -0.00557947 -0.01562784 +C 5.00630060 6.84232454 6.19109936 0.00107218 0.00442757 0.00047241 -0.00959304 0.01226157 -0.01638526 -0.00350966 -0.00024072 -0.00257549 +H 4.45986178 7.13616677 8.24672768 0.01882772 0.00742107 -0.01579090 0.16875939 0.04716220 0.02147461 0.00046631 -0.00660083 -0.01335683 +C 4.41710472 6.54067277 4.93452745 0.00382937 -0.00097461 0.00445954 0.02820163 0.00081409 0.01836136 0.00354486 0.00068489 0.00065636 +N 6.34086904 7.02859733 6.37472328 -0.00210592 -0.00093906 -0.00330318 0.01378373 0.01256938 -0.02271265 0.00556889 0.00467840 -0.00062395 +C 3.07964748 6.07983815 4.83188183 0.00010818 0.00332367 0.01172340 0.04431094 0.02557931 0.03040958 0.01087683 0.00274549 -0.00418122 +H 4.97294895 6.71859972 4.01087646 0.00902884 -0.00085229 -0.00665305 0.04870138 -0.11904571 0.05716237 0.01270672 -0.02852739 0.00787012 +C 7.43989490 7.06417643 5.58636547 0.00326261 -0.00133312 -0.00541679 0.02060897 -0.00844849 0.01715766 0.00037303 -0.00182354 0.00738828 +H 6.56183826 7.27650970 7.30622989 0.00329788 -0.00515808 -0.01587507 0.03826753 -0.02616150 0.02065077 0.00043204 -0.00716896 -0.00239011 +O 7.52049215 6.79774871 4.43402013 -0.00166555 0.00111599 0.00343019 -0.01898747 0.00169190 -0.01164397 -0.00334806 -0.00039503 -0.00583099 +C 8.77068990 7.39216979 6.32486302 -0.00717511 -0.00302371 0.00054685 -0.06571180 -0.04023040 0.01114456 -0.00689621 -0.00790194 -0.00149062 +H 9.57728844 7.01941367 5.78180143 -0.02306000 0.02346031 -0.01817713 -0.02076275 0.19031022 -0.20595247 -0.01937601 0.03083502 -0.00279688 +H 8.82749620 8.46981510 6.60539737 -0.02109500 -0.01926461 -0.01666336 -0.09907051 -0.03131355 -0.09347301 -0.01077981 0.01483048 0.00127959 +H 8.89132572 6.81184816 7.24389712 -0.00954801 -0.02653305 0.00640834 -0.11672794 -0.07876633 -0.03939381 -0.01415897 -0.00170755 -0.00744782 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95259823 5.85079956 5.65047440 0.00619012 0.00543036 0.00067848 0.05713762 0.02372700 0.00098237 0.00824690 0.00383415 -0.00011093 +C 2.29547224 6.16401198 5.83102731 0.00302111 -0.00114845 -0.00008141 0.00059000 -0.01023708 0.00544517 -0.00071166 -0.00146010 0.00168340 +H 0.95524165 4.90373989 5.49467468 -0.00013552 -0.01661491 -0.00413056 -0.10382471 0.07972953 0.00156534 -0.02717611 -0.00525534 -0.00249968 +C 2.66896411 7.52507208 6.01647597 -0.00213913 -0.00300576 -0.00432085 -0.01615317 -0.02523051 -0.03037727 0.00148945 -0.00284649 -0.00333943 +H 3.02359205 4.10561059 5.44420060 -0.01639885 -0.00701033 -0.01619764 -0.09794511 0.05757690 0.10500221 -0.00787083 0.00701672 0.03834892 +C 4.02500402 7.81973637 6.18436620 0.00366401 0.00282935 0.00425720 0.01272846 0.00874350 0.03174206 -0.00009271 0.00129537 0.00438074 +H 1.85749539 8.24491292 5.95672524 -0.00620799 0.02817506 -0.01018243 0.13388739 0.07132903 -0.01576721 0.02346578 -0.00341621 0.00258801 +C 5.03493484 6.84514306 6.17201541 0.00146989 -0.00365079 0.00124838 0.01880023 -0.01425522 -0.00292897 0.00290571 0.00043383 -0.00192132 +H 4.28407660 8.82425707 6.30672756 0.00561235 -0.01484649 0.00280152 0.06279786 0.08371994 0.02129270 -0.00085073 -0.00136187 0.00002243 +C 4.61224236 5.47987237 5.99036929 0.00930270 0.00251788 -0.00215130 0.05424477 -0.00985149 -0.02626266 0.00351673 -0.00343337 -0.00480789 +N 6.35180145 7.39021263 6.12683832 0.00790607 -0.00333737 -0.00455239 -0.01364019 -0.00726641 -0.01326071 -0.01153717 0.00188125 0.00099980 +C 3.23908812 5.10296410 5.83621535 -0.00123318 -0.00066450 0.00481749 0.02428594 0.01975395 0.01300438 0.00831813 0.00678342 -0.00056424 +H 5.30919068 4.65583238 5.80452289 0.01547335 -0.01919575 -0.01754772 0.06830517 0.07379686 -0.02455918 0.01756365 0.01685253 0.00557862 +C 7.50431730 6.89042846 5.84757894 -0.01096526 -0.00155853 0.00178698 -0.03223543 -0.02292902 0.01038358 0.00253862 -0.00474376 0.00036627 +H 6.37912843 8.36953020 6.30583634 -0.00606552 -0.00390877 -0.00209097 -0.00015618 0.00378579 -0.01712728 0.00488878 -0.00211866 -0.00439011 +O 7.62496857 5.72878155 5.61256822 -0.00778003 -0.00092753 0.00222903 -0.04495064 -0.03086977 0.00935941 -0.00477412 -0.00762903 0.00054523 +C 8.70604757 7.80482592 5.84193395 -0.00539646 0.00206035 -0.00131575 -0.05305832 0.03299275 -0.02545848 -0.00931219 0.00526488 -0.00308309 +H 8.99754808 7.80920239 4.77109143 0.00503600 0.01383508 -0.00568096 0.04766643 0.12865723 0.05313228 0.00968067 0.02399973 0.00244272 +H 8.44504929 8.83666018 6.08478441 -0.03794885 0.01433256 0.02265659 -0.14249055 -0.07554038 0.12613808 -0.00333749 -0.02078490 0.01162263 +H 9.56099121 7.44335736 6.40959795 -0.01686784 0.01136466 -0.00304812 -0.08178753 0.04167366 0.06180976 -0.01426103 0.00374274 0.01231242 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99295900 5.71019121 5.94551947 0.00297611 -0.00632515 -0.00454834 0.02482299 -0.02643083 -0.02928713 0.00350636 -0.00272241 -0.00400458 +C 2.35837373 5.93426500 5.89093032 0.00055828 0.00119408 0.00125173 -0.02522463 -0.00703684 0.00516361 -0.00482849 -0.00164658 -0.00050196 +H 0.54728679 6.52320469 6.06419505 0.00159097 0.01406516 0.02157431 0.03430894 -0.07594656 0.09013054 -0.00365523 -0.01467445 0.00897701 +C 3.17564020 4.88042256 6.37287471 0.00197167 -0.00163404 0.00188613 0.00761054 0.02419496 0.01787249 -0.00057745 0.00806784 0.00295522 +H 2.19388289 7.86717443 4.92289986 0.03162226 0.01446177 0.01416750 0.07529744 0.20252759 0.07145766 0.00312785 0.01053512 0.01807654 +C 4.53402252 5.19824442 6.42900019 -0.00311551 0.01057405 0.00281629 0.00309889 0.03223828 0.01630166 0.00326489 0.00048561 0.00098395 +H 2.81908480 3.96478189 6.81230978 -0.00575191 -0.00942012 0.01094590 -0.03031769 0.02299203 -0.03003940 0.00014311 0.01420903 -0.01585449 +C 5.12094850 6.36371277 5.92196273 -0.00307701 -0.00000425 -0.00673897 -0.01276339 0.00468372 -0.05184997 -0.00012959 0.00154638 -0.00758174 +H 5.17511058 4.37058584 6.77182181 0.01307970 0.01813139 -0.00272674 0.06532914 0.16455929 0.04669437 0.01414960 0.00730705 0.02351506 +C 4.23978616 7.32725562 5.38466861 -0.00713619 -0.00126441 -0.00144721 -0.04061125 0.01296629 -0.01027330 -0.00226105 0.00654947 -0.00168380 +N 6.52959954 6.43169048 5.91348125 0.00262762 -0.00322324 0.00056590 0.00724107 -0.00794851 0.01718957 -0.00088106 -0.00008042 0.00459706 +C 2.84110082 7.15382078 5.36781247 -0.00054768 0.00868435 -0.00121848 0.00423023 0.01972678 0.00858665 -0.00192107 -0.00146840 0.00313729 +H 4.59375595 8.24434212 4.98014682 -0.04370145 0.01250987 0.02158521 -0.13375964 0.11694806 0.08506209 0.00618751 0.00197001 0.00648905 +C 7.36305546 7.49964837 5.93060928 0.00131115 -0.00230788 0.00527217 0.02511764 -0.03013422 0.00891899 0.00536877 -0.00532027 -0.00290744 +H 7.03571141 5.56592218 6.05579727 -0.01010146 0.00802182 0.01737849 -0.06207834 -0.03354684 0.14167537 -0.00858645 -0.00717159 0.01856322 +O 7.04979864 8.61889601 5.57824847 -0.00686669 -0.00591895 -0.00139880 -0.05096240 -0.03389802 -0.00323740 -0.00698212 -0.00434669 0.00070450 +C 8.85627447 7.18506707 6.18273522 0.01318833 -0.00115162 -0.00005543 0.06078475 -0.00949180 -0.00703847 0.00197001 -0.00058339 0.00142945 +H 9.43283399 8.03467827 6.54824073 -0.00073431 0.00238503 -0.00328730 -0.02385976 0.01826898 0.07838432 -0.00594998 -0.00265514 0.02026091 +H 8.81136738 6.35381217 6.86326488 0.00274644 -0.01449516 -0.01288430 0.18094500 -0.06360232 -0.03836408 0.04499076 0.00366318 -0.00799033 +H 9.42208671 6.84649094 5.24047756 -0.00108282 0.02557342 -0.00126957 -0.05664129 0.15400180 -0.02085416 0.00644533 0.00921080 -0.03386127 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99751247 5.58602567 5.98176503 -0.00077890 0.00397110 -0.00117368 0.00650569 0.02284603 -0.02391837 0.00041588 0.00335464 -0.00319280 +C 2.26137020 6.13023848 5.79040795 -0.00030719 -0.00733804 -0.00245227 0.01101394 -0.06145538 0.00795104 0.00332004 -0.00679868 0.00529299 +H 0.48983223 5.91574467 6.68068346 0.01085363 0.00701155 -0.01929880 0.01464431 0.14470079 -0.02708163 0.01654398 0.01322308 -0.02350163 +C 2.59270635 7.35553777 6.35728024 -0.00360905 -0.00232798 0.00267709 0.01988327 -0.00302373 -0.00010669 0.00296454 0.00166807 -0.00125996 +H 3.20154103 4.20740198 5.17217665 0.00589017 -0.01529818 0.02432895 0.00964573 0.01109591 0.10848555 -0.00963014 -0.02344645 -0.00475044 +C 3.96281183 7.86438692 6.36395723 -0.00242265 0.00112122 0.00458206 -0.03983021 -0.00042894 0.02451908 -0.00429112 -0.00223012 0.00191339 +H 1.86667354 8.01762463 6.71943144 0.02792545 -0.02166844 -0.00387081 -0.08294133 -0.00562527 0.08943398 -0.01140093 -0.00948858 0.00838955 +C 5.02651758 7.07282938 5.91333236 0.00532468 0.00289108 -0.00170463 -0.00837175 -0.00874567 -0.00800503 -0.00833582 -0.00180797 0.00059983 +H 4.06979780 8.89696680 6.69765935 0.01231990 -0.00289310 0.01416865 0.11149706 -0.07885057 0.12888188 0.00972901 -0.01227571 0.02136954 +C 4.67273526 5.74005207 5.45114303 -0.00537277 0.00925405 0.00456012 -0.00826175 0.05881609 0.03276127 -0.00206589 0.00449941 0.00344810 +N 6.31995801 7.48235206 6.14163909 -0.00261006 -0.00241553 -0.01119946 0.00649016 0.00609105 -0.07870644 0.00390374 0.00170406 -0.01154795 +C 3.36696184 5.30146982 5.41058473 -0.00229425 -0.00655457 0.00043030 -0.03886758 -0.04956179 0.00681005 -0.00425431 -0.00299116 0.00272504 +H 5.45146155 4.98645802 5.24833141 0.00270877 -0.00424027 -0.00303618 -0.09456968 0.08953187 -0.03009359 0.00021779 0.01004642 -0.00964061 +C 7.47566633 6.83856027 5.86560168 0.00431013 0.00426510 0.00269989 0.02711444 0.00001898 -0.00187144 0.00291055 -0.00239196 -0.00291054 +H 6.44715915 8.44004522 6.46756762 -0.00867835 0.02300648 -0.00948924 -0.07554346 -0.04076417 -0.09075805 -0.00461393 0.00000870 -0.00573690 +O 7.59853957 5.69799082 5.32575987 -0.00146280 0.00071377 -0.00025606 -0.01226481 0.02972239 0.01126893 -0.00171735 0.00651350 0.00302528 +C 8.74832064 7.57319849 6.21684411 0.00537440 -0.00094365 0.00368669 0.04442125 -0.00173381 0.02009250 0.00395183 -0.00241000 0.00354291 +H 9.51169138 6.76292435 6.36397588 -0.00148932 -0.01827276 -0.00107187 -0.01380271 0.03033895 -0.00689456 0.01690189 0.00494153 0.00146628 +H 9.06183965 8.27329071 5.37708001 0.01283121 0.00672837 -0.01893505 0.03365160 -0.10537439 0.07815068 0.01074688 -0.00102212 0.00855449 +H 8.65137570 8.18853935 7.13756331 -0.00246777 -0.01954195 0.02299274 0.01401773 -0.17626447 0.06545599 0.00702932 -0.01379545 0.00788162 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00738251 5.63195239 6.06887615 -0.00848448 -0.00762312 -0.00138514 -0.04168771 -0.03864648 -0.01824196 -0.00141419 -0.00374147 -0.00389787 +C 2.24429926 6.15145933 5.85009138 0.00697837 0.00418994 0.00209230 0.03045199 0.02709928 0.02036386 -0.00320863 0.00125372 0.00450378 +H 1.11653194 4.73980980 6.20702888 -0.01438804 -0.01651115 -0.01116835 -0.16476238 -0.07526180 -0.06442517 -0.02887182 0.01815556 -0.01058333 +C 2.57415766 7.48492680 5.46993815 -0.00906480 0.00355495 0.00556766 -0.05222294 0.03027645 0.03883850 -0.00070584 0.00297512 0.00532231 +H 3.03972093 4.28723900 6.40544113 0.00946482 -0.02133126 -0.00014286 0.16388763 0.02495593 -0.06575135 0.01889999 0.00039375 -0.00874882 +C 3.95036966 7.88556445 5.41250407 0.00262240 0.00070012 -0.00537473 -0.01059269 0.02530846 -0.02718645 -0.00725291 0.00705938 -0.00252181 +H 1.74802586 8.22900807 5.33188763 -0.03864889 -0.00492291 -0.00276079 -0.06649598 -0.12974169 -0.01791241 -0.00886760 -0.00165265 -0.00682760 +C 5.02705863 7.04300994 5.72930104 -0.00375202 0.00150776 -0.00288858 -0.01715104 -0.01875547 -0.01888234 -0.00056841 -0.00522888 -0.00234651 +H 4.22385982 8.89560748 5.28148107 0.00150286 0.00250550 -0.01060044 -0.05529757 0.05545401 -0.14727698 -0.01698501 -0.00642106 -0.02480632 +C 4.68350454 5.71242036 5.99793221 0.00039960 -0.00349974 0.00243325 -0.01892317 -0.02683272 0.01502522 -0.00399605 -0.00452156 0.00185988 +N 6.35799192 7.46556709 5.78248195 0.00082682 0.00206772 0.00038365 -0.00518802 0.03258045 -0.00531238 0.00010547 0.00606212 -0.00215648 +C 3.32693361 5.30314572 6.09821203 -0.00206011 0.00676976 0.00092035 -0.00212048 0.01177034 0.01267302 0.00314711 -0.00135362 0.00187915 +H 5.42105345 4.97150553 6.14523688 -0.01155521 -0.01216281 -0.00618997 -0.04657584 -0.11187800 0.02552891 -0.01056446 0.00015287 0.00983125 +C 7.47875606 6.83249646 6.04946060 0.00719719 0.00095214 -0.00803773 0.05583493 -0.01815711 -0.05034655 0.00549896 -0.00313682 -0.00551696 +H 6.46118509 8.43527919 5.60200329 0.01603620 -0.00295255 -0.00653940 0.09281688 0.03601370 -0.03265226 0.00089060 0.00035072 0.00033112 +O 7.56505623 5.61484992 6.16328400 0.00133796 0.00221471 0.00295627 0.01194465 0.01096498 0.02198008 0.00215039 0.00000328 0.00314671 +C 8.77561754 7.59365793 6.15104608 0.01008248 -0.00423260 0.00606986 0.04917305 -0.01032504 0.03307937 0.00506539 -0.00107074 0.00257763 +H 9.47216240 7.29310444 5.37622903 -0.02315498 0.00508392 -0.02187973 -0.06133674 -0.00865707 -0.07494411 0.00658077 -0.00455790 0.01056189 +H 8.46122864 8.64775237 5.93581255 0.00544099 -0.00550483 0.00044663 0.16170449 -0.03103099 0.09729169 0.02909288 0.02008340 0.02215805 +H 9.16512442 7.46476611 7.15269206 0.00945072 -0.00556353 0.01924396 0.10974021 -0.01611615 0.01384035 0.02074795 -0.00346870 -0.01863212 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04328378 5.72661171 5.77453614 0.00161548 0.00221834 0.00442934 0.01317957 0.01098136 0.02355530 0.00187324 0.00028828 0.00390208 +C 2.40888778 5.90341073 5.85688454 -0.00082368 0.00402324 0.00446099 -0.04309435 0.05211846 0.01934614 -0.00806496 0.01061199 0.00059990 +H 0.62555146 6.03419544 4.94436969 0.01602065 0.00005880 -0.00960165 0.14186368 -0.02003920 -0.00053414 0.00609429 0.00430968 -0.02130190 +C 3.02417942 5.53983612 7.04202361 0.00096823 -0.00024752 -0.00273389 0.00094719 -0.03574203 -0.01305262 -0.00025900 -0.00814935 -0.00273697 +H 2.46643259 7.11784586 4.06160260 0.00729423 -0.01755900 -0.01321472 0.06801059 -0.05404796 -0.10880636 0.00784470 0.00540635 -0.01785813 +C 4.37152790 5.73202220 7.22024643 -0.00210912 0.00011393 0.00112059 0.01237868 -0.00560645 0.01479352 0.00627282 -0.00157921 0.00270676 +H 2.53076437 4.86417507 7.76408630 0.00526078 -0.01927162 -0.02416396 -0.03657673 -0.05286396 -0.12223391 -0.02101432 -0.00773315 0.00611986 +C 5.07790124 6.47658945 6.29623509 0.00364075 -0.00078185 -0.00143844 0.03855698 0.01324232 -0.01162392 0.00471113 0.00258041 0.00010531 +H 4.87373624 5.24710398 8.00393122 0.01029255 -0.00743877 0.01309128 0.00044811 0.01965076 0.06759085 -0.01451785 0.01638281 -0.00440380 +C 4.39445795 7.08886140 5.20166586 -0.00161944 -0.00466306 0.00848144 -0.03622938 -0.02159429 0.01884910 -0.00873148 -0.00351638 0.00007028 +N 6.45691474 6.69286591 6.49824678 0.00095811 -0.00291316 0.00401911 0.02415439 -0.00549254 0.02178541 0.00402020 0.00217005 0.00010444 +C 3.02727816 6.73944323 4.92999969 -0.00534199 -0.00219443 -0.01359152 -0.00018098 -0.02249498 -0.06168250 0.00432051 -0.00518397 -0.00234576 +H 4.85255087 7.77290731 4.42247278 0.00190134 0.04255805 0.01481002 -0.08720172 0.07339213 0.29517489 0.00121723 0.01533807 0.02383950 +C 7.36152073 7.30914904 5.66129979 -0.00616416 0.00255098 0.00244806 -0.03603707 0.00979243 0.02068716 -0.00238346 0.00124804 0.00109669 +H 6.88109071 6.42704962 7.39837149 0.02261274 0.00098683 0.00779332 0.01918067 -0.03770433 -0.03810527 -0.00452449 -0.01939305 0.00794122 +O 7.05147531 7.78999558 4.58986267 0.00732130 0.00089364 -0.00511810 0.05196946 0.00738669 -0.03712104 0.00657342 0.00067419 -0.00431100 +C 8.85429725 7.37000607 6.06116118 -0.00603001 0.00122079 -0.00242516 -0.05440639 0.00132047 -0.00477392 -0.00780174 0.00295804 0.00218326 +H 9.47891069 7.51282263 5.19219143 0.00078309 0.00718067 -0.00386567 -0.00591857 -0.06477803 -0.00013215 -0.01007780 -0.02128730 0.00932052 +H 9.06204680 8.21034488 6.63927266 0.00377402 -0.01763500 0.00766554 -0.02254518 0.01866614 0.11641649 -0.01806646 -0.00857190 -0.00156736 +H 9.09643670 6.49807976 6.71646254 -0.01481928 0.00194437 0.00639371 -0.04012847 0.00932325 -0.08876993 0.00534228 -0.01760405 -0.01706280 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.07485953 5.58674680 5.88676357 0.00240251 0.00225744 0.00254775 0.01743955 0.02733598 -0.00238320 0.00117009 0.00486869 -0.00334857 +C 2.35015398 6.11122659 5.98522675 0.00456639 -0.00132161 -0.00716061 -0.02043649 -0.05207132 -0.03462577 -0.00677064 -0.01221727 -0.00019223 +H 0.75765615 5.56180338 5.02170446 0.00421842 0.03645253 -0.01747070 0.03294217 0.22107451 0.01807387 -0.00082005 0.02616998 0.01631598 +C 2.89676778 5.94389099 7.22476185 -0.00445662 -0.00402027 -0.00616066 -0.00953026 -0.01537692 -0.01111367 0.00500090 0.00100659 -0.00041264 +H 2.61163276 6.50389961 3.87403632 -0.02399010 0.00535229 0.01080152 -0.12296546 0.01533224 0.08797545 -0.00154049 -0.00131776 0.00992911 +C 4.22369882 6.34691232 7.33576415 0.00280820 0.00595544 -0.00002759 0.02472547 0.02085030 0.00449242 0.00224678 -0.00095362 0.00197357 +H 2.29407600 5.59076268 8.07220631 -0.01515335 -0.03470112 0.02916143 0.08199474 -0.06983035 -0.07752769 0.01487582 0.00207251 -0.01911743 +C 5.05010293 6.58794587 6.19267018 -0.00192160 0.00188724 -0.00125759 0.00558521 0.04386402 0.00793993 0.00316603 0.01029032 0.00285058 +H 4.65696660 6.38282389 8.31078224 0.00191941 -0.01090501 0.00488201 0.02874457 -0.09400418 0.01815223 0.00424426 -0.01167548 -0.00765095 +C 4.45011432 6.75390411 4.92682954 -0.00033747 0.00024059 -0.00221480 -0.01125410 -0.01482209 -0.02327602 -0.00065076 -0.00442298 -0.00214696 +N 6.40417987 6.89256138 6.44522022 0.00195806 0.00255474 0.00371642 0.01395972 0.01099436 0.03845825 0.00130911 0.00066232 0.00669895 +C 3.06408853 6.45819564 4.84272700 0.00008570 -0.00518421 0.00624585 0.01304432 -0.01605166 0.01036401 0.00111221 0.00036903 -0.00424698 +H 4.92220948 7.01172369 4.00571187 0.02149921 -0.00979031 -0.02966711 0.08633765 -0.07865513 0.03578774 -0.00243737 -0.00902526 0.02933611 +C 7.41344436 7.19956343 5.62051029 0.00192742 -0.00451618 0.00963465 -0.00421978 -0.03744183 0.03437922 -0.00298514 -0.00534831 -0.00331062 +H 6.75406674 6.77552235 7.37008695 0.03238350 0.01906294 0.01477618 0.01739541 0.13719918 0.02961892 -0.02650475 0.01699650 0.00323117 +O 7.34981985 7.20503236 4.42380875 -0.00435693 0.00150677 0.00009731 -0.03526675 0.01185018 -0.00451415 -0.00560692 0.00159488 0.00023214 +C 8.74183694 7.43279354 6.23093610 -0.00490047 -0.00124076 -0.00948528 -0.00280186 0.00667972 -0.04534490 0.00331846 0.00012304 0.00066314 +H 9.30405768 8.21475544 5.61878169 0.00956057 -0.00627922 -0.00195926 0.00303574 -0.08390087 0.01027264 0.01125385 0.00921423 -0.01831762 +H 8.65855763 7.80986440 7.23173269 0.00674629 -0.00753654 -0.00077616 0.03965480 -0.04646797 -0.00990019 0.00171776 -0.00152133 -0.01135516 +H 9.33668262 6.51826294 6.15834908 -0.00681944 0.01080405 0.02086007 -0.01993339 -0.00847688 0.14400632 -0.00143909 -0.00980897 0.01146416 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03716205 5.80535480 5.79113230 -0.00102138 0.00244371 0.00025022 -0.02309231 0.00273594 -0.00392254 -0.00506464 -0.00042924 -0.00134762 +C 2.32674167 6.14728617 5.83896485 -0.00472924 -0.00434897 -0.00246013 0.00216364 -0.03864086 -0.02115252 0.00490101 -0.00505684 -0.00226240 +H 0.96992469 4.89139137 5.63681851 -0.00981199 -0.01788793 -0.01026265 -0.09935726 0.04377441 -0.06251328 -0.01986514 0.01013307 -0.01186428 +C 2.73188231 7.27759126 6.56706384 -0.00076913 -0.00521430 0.00264431 -0.00178660 -0.04041573 0.01527658 -0.00241268 -0.00242747 0.00231316 +H 3.13319817 4.36060867 4.60009058 -0.00896926 -0.01700137 -0.01785589 -0.10571306 0.13692560 0.06361861 -0.02083901 0.00963826 0.00442351 +C 4.06613137 7.60933419 6.82261633 0.00082507 0.00190700 0.00812562 -0.00472243 -0.01182810 0.02984824 -0.00156703 -0.00447417 0.00030741 +H 1.95403963 7.84512922 6.98912393 0.04111531 0.00715825 -0.04391891 0.02399208 0.23281347 -0.14061334 -0.00221459 0.01370442 -0.00872473 +C 5.03124313 6.75868939 6.27500366 0.00437485 0.00339825 -0.00430348 0.01375075 0.02211745 -0.03033625 -0.00096417 0.00433718 -0.00201360 +H 4.30931755 8.51435208 7.34437002 -0.01101141 0.00013293 -0.00972007 -0.03574737 0.05137326 0.00912119 -0.00149452 -0.00254081 0.00349694 +C 4.65551937 5.59268285 5.52225450 0.00069853 -0.00195133 0.00489463 -0.01309231 0.00770754 0.03098791 -0.00137193 0.00282880 0.00286374 +N 6.31600594 7.19191419 6.43073770 0.00161565 0.00258894 0.00049285 0.02547267 0.02585946 0.03626846 0.00499739 0.00217981 0.00642454 +C 3.28833640 5.28173270 5.23570797 0.00251936 0.00297424 -0.00346609 0.02773925 0.01953308 -0.01111451 0.00382414 0.00535805 0.00260163 +H 5.40319042 4.95363884 5.04065163 -0.02791778 0.01852295 0.02604239 0.03192719 -0.03451321 0.09612663 0.02391686 -0.01912371 0.00565204 +C 7.42661123 6.96759386 5.75627783 -0.00473836 -0.00571362 0.00151505 -0.02585138 -0.03645101 -0.02530275 -0.00055187 -0.00214866 -0.00630636 +H 6.43061871 7.80439000 7.24424952 0.02744739 0.00491651 0.01269064 0.14242644 -0.01585016 -0.01548383 0.01146093 0.00912763 0.00907292 +O 7.39946928 6.36709703 4.69490787 0.00142100 0.00106641 -0.00012912 0.00819882 -0.00492557 -0.00892889 0.00036435 -0.00317288 -0.00337593 +C 8.73204269 7.57793186 6.13225855 -0.00599059 0.00266013 -0.00569509 -0.00102577 0.01231353 -0.02321544 0.00136167 0.00159176 -0.00049743 +H 9.06294709 7.22783568 7.14606274 -0.00328898 0.01372695 -0.00399738 -0.10160645 0.09775851 -0.03606075 -0.01891899 0.00424706 0.01913183 +H 9.56902465 7.25423612 5.44065436 0.03722730 -0.02345550 0.01171543 -0.02482280 -0.05258494 0.17922292 -0.00726149 -0.00646367 0.01028393 +H 8.68743174 8.67879570 6.13218790 0.01947120 -0.00286806 0.01158381 0.08498405 -0.00184934 0.02373066 0.00201728 0.00805740 -0.01010061 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04300605 5.70046274 5.76626263 0.00486163 0.00009370 -0.00221678 0.02744403 -0.00391878 -0.01859166 0.00191423 0.00073064 -0.00263022 +C 2.37024026 6.08007175 5.84812327 0.00175034 -0.00389594 -0.00097026 -0.04490274 0.00039510 0.00499899 -0.00877895 0.00318229 0.00246477 +H 0.77444483 4.78720702 5.53642560 0.00219466 -0.01108648 0.00636595 0.14453463 -0.00618460 0.06559850 0.02606834 -0.02967518 0.00389662 +C 2.57558834 7.43807962 6.16279971 0.00177274 -0.00615118 0.00615259 0.03420658 -0.02328857 0.03173728 0.01075418 -0.00368158 0.00255716 +H 3.15331031 4.18797301 5.57251150 0.00082879 0.01726544 -0.00164865 -0.01208754 -0.12556321 -0.06517849 0.01246624 0.01155981 -0.00496764 +C 3.89667485 7.92629091 6.29425295 0.00591041 0.00891159 -0.00261463 0.03511428 0.01673831 -0.01677756 0.00239407 0.00055664 -0.00116336 +H 1.70890379 8.22080245 6.21651807 0.00785002 -0.01351609 0.00337978 0.06763622 -0.19026890 0.08553858 -0.03387754 0.00707610 0.02466677 +C 4.99574800 7.00403739 6.11553558 -0.00546516 0.00079737 -0.00101150 -0.02927533 0.01998711 -0.01322176 0.00006111 0.00519311 -0.00210791 +H 4.06918277 8.91311244 6.58281060 -0.00047330 -0.01131306 -0.00555220 0.03462116 0.12838384 -0.05954189 0.00410139 -0.00052172 -0.02066925 +C 4.68639828 5.63447008 5.87025876 -0.00555638 0.00857345 0.00141069 -0.03680588 0.03666489 0.00440611 -0.00512115 0.00169154 -0.00045935 +N 6.32326778 7.44928928 6.17153468 -0.00037920 0.00252238 0.00475703 -0.00465754 0.01364607 0.04321608 -0.00192627 -0.00032721 0.00594419 +C 3.35052330 5.17096328 5.73475208 -0.00266052 -0.00227693 -0.00263063 0.02396648 -0.00480007 -0.01443991 0.00416647 -0.00318366 -0.00243434 +H 5.51702141 4.91461303 5.79948983 -0.02312896 -0.01477352 -0.00682942 -0.17526955 -0.03625488 -0.04822856 -0.00273308 -0.00224184 -0.00620384 +C 7.50065703 6.89760929 5.77624422 -0.00340971 -0.00261172 -0.00003255 -0.05645471 -0.04674884 -0.02260076 -0.00848421 -0.00699227 -0.00411468 +H 6.41598213 8.28523409 6.75436392 0.01115130 -0.00179619 -0.00348192 0.08877449 0.04397319 -0.04054848 0.01030696 0.01818012 -0.00292169 +O 7.53210705 5.88546768 5.03992884 -0.00073016 -0.00619082 0.00014142 -0.00462032 -0.03099835 0.00978214 -0.00127289 -0.00367499 0.00198913 +C 8.75091427 7.47455993 6.22704517 0.00314918 0.00394102 -0.00311123 0.03535870 0.04245927 -0.01236543 0.00364343 0.00783343 -0.00287026 +H 9.45705604 6.68177736 6.53576552 0.00500203 -0.01478267 0.00876760 0.00155578 0.07110199 -0.01824036 0.00802021 0.02047556 -0.00704687 +H 9.09332466 8.15150422 5.48334637 0.00908835 0.03440379 0.01436349 0.14081441 0.09196673 0.03589011 0.01955700 -0.01635659 0.00785897 +H 8.60290093 8.19680617 7.05734044 -0.01908995 -0.00951539 -0.01507413 -0.12588033 -0.10596645 0.03994072 -0.01105665 -0.01202260 0.02981291 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99731449 5.82880524 5.79334897 0.00606029 0.00291567 0.00100470 0.04572020 0.01284197 0.01383305 0.00722690 0.00200137 0.00126160 +C 2.31953496 6.19105723 5.77962324 0.00805499 -0.00602799 -0.00119902 0.04967897 -0.06033818 0.01137075 0.00451444 -0.00910826 0.00190484 +H 0.82878855 5.20054076 6.48383141 -0.00231373 -0.00613165 0.02497772 -0.01449860 0.09947414 0.01836151 -0.00928285 0.00887616 0.01094659 +C 2.88741623 6.87624045 4.69617962 0.00060686 0.00202007 0.00397586 -0.02378662 0.02446645 0.01099501 -0.00431649 0.00436978 0.00028699 +H 2.75794427 4.99553808 7.55677818 0.02589862 -0.01801406 0.01367860 0.17096731 0.06701606 0.07996816 0.01111023 0.03304689 0.00691745 +C 4.20851791 7.22969074 4.66159328 -0.00044272 0.00727938 -0.00765109 0.01494489 0.03600559 -0.03306648 0.00149657 0.00117467 -0.00067016 +H 2.25007479 7.19411714 3.87568378 -0.00033765 0.00496070 -0.00770600 -0.00256098 -0.00237069 0.02058138 -0.01140651 -0.00140107 0.00417891 +C 5.06526977 6.80531581 5.71014475 -0.00191083 -0.00617348 0.00225901 -0.04152483 -0.01251367 -0.01609394 -0.00800515 0.00383994 -0.00746200 +H 4.55713043 7.83523117 3.82156289 0.00125778 -0.00088215 -0.01906137 0.02028346 -0.03866461 -0.05960384 0.00816104 -0.00252395 -0.00362123 +C 4.50185034 6.07636817 6.79109818 -0.00205499 0.00023578 0.00224036 0.01411083 -0.00853445 0.03094398 0.00514067 -0.00104987 0.00383038 +N 6.32908477 7.32649662 5.65016106 -0.00804745 0.00275554 -0.01640631 -0.04658728 0.02222458 -0.09969237 -0.00236402 0.00035301 -0.00857453 +C 3.14720464 5.71223555 6.85445980 0.00529409 0.00296029 0.00121124 0.02768029 0.01424838 -0.01492904 0.00446369 -0.00013740 -0.00276634 +H 5.13394148 5.71708436 7.60146444 0.00211068 -0.00091640 0.01462219 -0.00625362 0.04290764 0.02532898 0.00606158 0.00719607 0.00532691 +C 7.43030104 6.91272688 6.18371790 -0.00181490 -0.00274095 0.00545573 -0.02030768 -0.02517902 0.01120229 -0.00589879 -0.00301229 -0.00383708 +H 6.37385202 8.19236991 5.10561054 0.01306455 0.01959021 -0.00034481 0.06721560 0.03536169 0.00021103 -0.00137084 0.00577430 -0.01253885 +O 7.54889980 5.86062375 6.77599219 -0.00578094 -0.00556479 0.00338322 -0.03845760 -0.04359393 0.03167437 -0.00529859 -0.00617136 0.00524561 +C 8.61369039 7.75723949 5.89537366 -0.00182103 0.00158767 0.00420017 0.00200939 0.02360098 0.04104417 0.00182112 0.00606894 0.00686950 +H 8.59485259 8.43666987 5.08856463 -0.00116137 0.02643221 0.01851133 -0.07981706 0.09277073 0.03120512 -0.01821202 -0.01557056 0.01122940 +H 8.55205465 8.42877177 6.73741813 -0.00789665 -0.00585404 0.00516259 0.10837672 -0.03691569 0.11737173 0.03607874 -0.01080675 0.01834204 +H 9.52946494 7.18310018 5.87317643 0.00633013 -0.00519024 -0.01652868 -0.00335913 0.01791981 -0.06451600 -0.00955499 0.01112460 -0.00294265 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94356711 5.86955838 5.97515161 -0.00001184 0.00352219 -0.00065703 0.01321095 0.02693678 -0.00897922 0.00181911 0.00297176 -0.00085257 +C 2.31379365 6.10698737 5.77701430 -0.00149936 0.00650468 0.00379635 -0.02583434 0.02606712 0.04102159 -0.00419734 0.00121848 0.00768594 +H 0.75732357 5.23531090 6.60739020 -0.02406584 -0.00838941 -0.01813299 -0.10878786 -0.05366146 -0.11925435 0.00326419 0.01034282 -0.03065636 +C 2.70100812 7.11420569 4.88561582 0.00512580 -0.00056122 0.00563237 -0.00224602 0.00028578 0.03612275 -0.00304749 -0.00145869 0.00574556 +H 3.02806467 4.65244425 7.25425468 -0.02246569 0.00009751 0.00959263 -0.11022462 -0.01381756 -0.05766349 -0.00554604 -0.00789943 -0.01953540 +C 4.04264758 7.47931546 4.78327045 -0.00573345 -0.01259350 0.00421946 0.00947807 -0.07455244 0.02765077 0.00607447 -0.00894982 0.00341623 +H 1.86904558 7.67808008 4.40414526 -0.00877817 -0.01413624 -0.01633030 0.12391164 -0.13472231 -0.12147901 0.01498872 -0.00528674 -0.03136759 +C 5.01889733 6.82561652 5.61984857 0.00265692 0.00366304 0.00394444 0.01289068 0.03226870 0.01223129 0.00093384 0.00254935 0.00100016 +H 4.41079054 8.30198182 4.13506828 0.00971499 -0.02950901 -0.02900820 -0.08194557 -0.26100444 -0.10305326 -0.01734511 -0.01933438 -0.01822042 +C 4.63090418 5.75472108 6.41640665 -0.00090529 -0.00726159 -0.00907632 -0.00077100 -0.05797263 -0.05711318 0.00244244 -0.00880663 -0.00534908 +N 6.33760728 7.31807726 5.60938384 -0.00020302 0.00346607 -0.00200107 0.00715561 0.02165648 -0.02716926 0.00303070 0.00250078 -0.00488018 +C 3.29148406 5.38152289 6.50448364 -0.00065476 -0.00257704 -0.00123985 -0.02906218 -0.00894209 -0.00048130 -0.00740329 0.00024886 0.00049972 +H 5.32687227 5.15950963 6.91815993 -0.00045056 -0.00278785 -0.00513612 0.03174359 -0.01681785 0.04973646 -0.01066426 0.00825096 0.00038132 +C 7.45814683 6.96359926 6.24758269 0.00052384 0.00314353 0.00255905 0.00919603 -0.01120291 0.02910724 0.00164622 -0.00153569 0.00215480 +H 6.58744171 7.89818627 4.85981578 0.00827658 0.01190067 -0.01796151 -0.06588933 0.09697647 0.00209077 -0.02358105 0.01109156 0.02323525 +O 7.59347369 5.93864608 7.01949538 -0.00317322 0.00079892 -0.00188375 -0.02650199 0.03549995 -0.02852778 -0.00400454 0.00712995 -0.00453364 +C 8.67644534 7.79675957 5.86864066 0.00569997 0.00101418 0.00462823 0.04817768 0.02272203 0.02955349 0.00897084 0.00180513 0.00632863 +H 9.58530603 7.27596336 6.00948487 0.00371332 0.00776414 -0.02267562 0.07172048 -0.09073891 -0.15806934 -0.00953769 -0.01306114 -0.02286875 +H 8.71760722 8.22948633 4.82041678 -0.01358835 0.00913282 0.00467659 -0.16034022 -0.02105500 0.10417058 -0.02738634 -0.00000291 -0.00601124 +H 8.81512057 8.62911127 6.54832620 0.03889343 0.01246275 -0.00923582 0.15122492 0.05281212 -0.03078173 0.00380110 -0.00129628 0.00237517 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95734724 5.96145749 5.73855938 -0.00433722 0.00078493 -0.00467430 -0.02731268 0.00268928 -0.03769237 -0.00348147 0.00003299 -0.00580104 +C 2.31911668 6.04076608 5.75120010 -0.00349270 -0.00245946 -0.00253724 -0.02734037 -0.01477097 -0.03098707 -0.00293367 -0.00233192 -0.00238494 +H 0.53501274 5.78224424 6.59522115 0.00448537 0.01562915 -0.01624424 0.00547035 0.08908110 -0.00624473 -0.00370105 0.00936813 0.01095338 +C 2.96148806 6.38849689 4.50397495 0.00162761 -0.00276359 0.00949328 -0.01135869 -0.00248927 0.05485347 -0.00370187 0.00264937 0.00449853 +H 2.61018210 5.83532190 7.93018030 -0.00336814 0.02623222 -0.01260934 -0.09994633 0.05616850 -0.03812362 -0.01227312 -0.01125532 -0.00358349 +C 4.30976952 6.81586328 4.51028831 -0.00050163 -0.00164831 -0.00086454 -0.02885720 -0.02066934 0.00226820 -0.00717622 -0.00397521 0.00074496 +H 2.32914340 6.50321387 3.63571593 -0.01229547 0.03141111 -0.01184541 0.07317002 0.12060870 0.07647000 0.01686616 0.00161629 0.01781407 +C 5.01504082 6.73212940 5.72367315 -0.00747496 -0.00221302 -0.00398591 -0.00356510 -0.00327229 -0.04719864 0.00612027 0.00030759 -0.00558426 +H 4.75329549 7.27020160 3.62976120 -0.00724813 0.00443140 0.00360374 -0.05520259 -0.03153111 -0.01542049 -0.00858538 -0.01285209 -0.00740115 +C 4.40024928 6.25012664 6.88626497 0.00398899 0.00519333 -0.00295655 0.02262339 0.03746830 0.01398474 0.00171222 0.00534593 0.00311832 +N 6.32737024 7.24331428 5.54706849 -0.00306857 -0.00177293 0.00547687 -0.01697641 -0.01267740 0.04771820 -0.00123077 -0.00042882 0.00543435 +C 3.02529354 5.95874718 6.93764060 0.00269405 -0.00284350 0.00188747 0.03243787 -0.00528825 -0.00084716 0.00346014 0.00157050 -0.00296513 +H 4.89811017 6.27501854 7.86999986 -0.00180590 0.00916493 0.01427335 0.04820647 0.04650256 -0.06126930 0.02614726 0.00599749 -0.00531617 +C 7.49521413 7.04700107 6.21373337 0.00481318 0.00233095 -0.00489657 -0.00458076 -0.02546845 -0.01214653 -0.00475756 -0.00944353 0.00308770 +H 6.39281923 7.83506436 4.71118812 -0.00215457 -0.01782805 0.03848217 0.04295040 0.03645236 0.06071045 0.00928133 0.01777063 -0.00808130 +O 7.45573103 6.25188935 7.14266404 0.00719693 -0.00162272 0.00256654 0.06284316 -0.00467679 0.01635593 0.01040811 0.00031544 0.00164629 +C 8.80366834 7.71710449 5.79604910 0.00065083 -0.00234799 -0.00169921 -0.00172486 0.01676042 -0.00293784 -0.00207614 0.00533683 0.00029063 +H 9.62789403 7.11003318 5.43558542 0.00618954 -0.00382853 -0.01740049 -0.07709037 -0.03328353 -0.08914685 -0.02607342 0.00092128 -0.00563773 +H 8.56523061 8.50561773 5.06451334 -0.01299568 0.02538930 0.01141947 -0.00672596 0.05450333 0.10977039 0.00597279 -0.00023883 0.00345349 +H 9.14298015 8.18324747 6.72525176 -0.00102658 0.02778219 0.01391185 0.00762838 0.08047064 -0.08698931 0.01097299 -0.00445936 -0.02137361 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02890816 5.80169153 5.77824489 -0.00324627 -0.00036887 0.00049508 -0.02268673 -0.01528304 0.00221857 -0.00396561 -0.00307133 0.00047223 +C 2.33333870 6.08056249 5.95945311 0.00144969 -0.00068035 -0.00029388 -0.00640416 -0.01346985 -0.00621974 -0.00281450 -0.00021079 -0.00022014 +H 0.44385810 6.48614893 6.10442710 -0.00288391 -0.01870212 -0.02495550 -0.10119597 -0.00972853 -0.11863021 -0.00854865 0.00203514 -0.01328075 +C 2.66955457 7.28827392 6.48997364 0.00960047 -0.00111869 0.00076704 0.08480127 0.02312521 0.01724125 0.01026342 0.00316006 0.00225580 +H 2.92332606 4.38721331 4.86260049 -0.01094544 -0.01234669 -0.00709041 0.05558629 -0.06741921 0.06572843 0.02089911 -0.00554782 0.02515320 +C 4.05615528 7.69859429 6.46834105 0.00768791 -0.00201538 -0.00325401 0.01829430 -0.00651999 -0.00907060 -0.00151390 0.00100869 0.00152927 +H 1.94584274 7.99629950 6.88834507 -0.00735575 -0.00923099 0.00215585 0.00650194 -0.08709827 -0.01363325 0.00908989 -0.00200931 0.00231582 +C 5.03741577 6.85546505 5.97442659 -0.00022005 0.00511814 -0.00549922 -0.00267883 0.04885844 -0.04505390 0.00030245 0.00594636 -0.00847600 +H 4.40592151 8.71741940 6.75922980 0.00344432 -0.02357399 0.01011000 -0.06653329 -0.08295544 0.15823912 -0.01178016 0.01527873 0.03374200 +C 4.59561953 5.65958757 5.41643310 -0.01139403 0.00149643 0.00410484 -0.01068488 -0.01392315 -0.00027651 0.00528532 -0.00085106 -0.00089191 +N 6.28395841 7.47946820 5.90871454 0.00317431 0.00552674 -0.00312489 0.02078023 0.02160828 -0.02361681 -0.00013413 0.00349554 -0.00272278 +C 3.28978452 5.21300188 5.42787964 0.00071497 -0.00102497 0.00430882 -0.02736849 -0.00824184 0.01667593 -0.00659069 -0.00239854 -0.00011549 +H 5.30680239 5.04120580 4.79686780 0.01252841 0.00340983 -0.00325626 -0.02076234 0.06510450 0.12087474 0.01639411 -0.01952435 0.00607283 +C 7.50691614 6.91182635 5.82022757 0.00011251 0.00523850 0.00299457 -0.03130179 0.00113900 0.01905817 -0.00638084 -0.00582133 0.00173093 +H 6.27860036 8.46711732 6.03049578 -0.02590561 -0.01955828 0.00252508 -0.08273576 0.05331847 0.06089816 0.01330051 0.00197854 0.00719713 +O 7.53675118 5.70242288 5.61482462 -0.00033275 -0.00182125 -0.00219297 0.01707003 -0.00350583 -0.01380372 0.00466218 0.00127836 -0.00157142 +C 8.72792856 7.76129864 6.12920118 -0.00365501 -0.00382170 0.00257935 -0.01774219 -0.01678050 0.01192810 0.00115264 -0.00101153 0.00299645 +H 9.53421788 7.58218414 5.48835653 0.00493765 0.00597776 0.00815594 0.04660533 -0.04945136 -0.02114695 -0.01677979 -0.01289911 0.00778521 +H 8.48498732 8.80132804 5.95579287 -0.00273531 -0.00800032 0.00484503 -0.02708787 0.00982872 0.07158754 -0.00237389 0.00223111 0.01264242 +H 9.10443069 7.61430757 7.08265806 -0.00958326 0.00195356 0.00987323 -0.09239147 -0.00269734 0.13710448 -0.02586543 0.00046443 -0.01215404 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.88791743 5.75167488 5.87688326 0.00712306 -0.00222963 0.00386354 0.05337013 -0.01756112 0.02273526 0.00761042 -0.00134990 0.00385650 +C 2.22204008 6.14250230 5.94016155 0.00139884 0.00332461 0.00492957 0.01983926 0.00228019 0.01520800 0.00629530 -0.00312471 -0.00140719 +H 0.68762701 5.06586861 5.27072648 -0.00182816 -0.02882141 -0.00031239 0.07086790 -0.05928301 0.11370987 0.01677971 -0.01023823 0.01522593 +C 2.60240664 7.21570096 6.73986768 0.00733792 -0.00040042 -0.00396167 0.05643474 0.00907121 -0.01088738 0.00430455 0.00248453 0.00062997 +H 2.85944317 4.65317962 4.52431785 -0.02482644 0.01134857 -0.01115487 -0.03550181 0.08572525 0.00996598 0.00426692 -0.01481623 -0.01142977 +C 3.99313533 7.60773675 6.76803410 -0.00437464 0.00147985 -0.00835679 -0.00304568 0.00096095 -0.04509555 0.00525578 -0.00035143 -0.00424984 +H 1.95555672 7.68779629 7.41875855 -0.02222689 0.00411908 -0.00581140 -0.08838624 0.02386294 -0.15176238 0.01427987 0.00046089 -0.03787049 +C 5.02028863 6.85459261 6.05696362 0.00672225 0.00303234 0.00645865 0.01020502 0.00588257 0.02957372 -0.00586505 -0.00304487 0.00055917 +H 4.26933076 8.37205481 7.47053094 0.01166438 0.01953157 0.00598024 -0.00104708 0.04543553 -0.14481190 -0.01066098 0.00251907 -0.03713582 +C 4.64557746 5.71296002 5.29758472 -0.00015506 -0.00608004 -0.00681713 -0.02998187 -0.00093127 -0.02424711 -0.00416098 0.00597464 -0.00026970 +N 6.33284453 7.35480324 6.12975594 -0.00612618 0.00312440 0.00608834 -0.03111291 0.02866334 0.05721735 0.00006284 0.00342185 0.00887773 +C 3.22640981 5.44558938 5.22473854 0.00076512 0.00295851 -0.00485943 -0.00264353 0.00926021 -0.04441570 -0.00206894 0.00224113 -0.00497981 +H 5.30965236 5.12315928 4.70234686 -0.00606934 0.00815286 0.00581517 0.05967518 -0.00038862 -0.01486971 0.00061804 0.00419798 0.00215997 +C 7.56143067 6.91274782 5.77756466 -0.00129586 -0.00184460 0.00397027 -0.02613012 -0.02360534 0.00931476 -0.00655072 -0.00306836 -0.00089043 +H 6.23262873 8.22937841 6.64422069 -0.01260181 0.00257219 0.00715652 0.09852124 0.03398122 0.02727110 0.03159801 0.01526174 0.00724054 +O 7.70696556 5.86775476 5.12876802 -0.00525962 -0.00488403 -0.00357610 -0.03650262 -0.02400726 -0.01434357 -0.00523378 -0.00168442 -0.00028197 +C 8.80823732 7.74868874 6.08985427 0.00046875 0.00414938 0.00040289 0.00015840 0.01981719 0.00996673 -0.00240320 -0.00036518 0.00423766 +H 8.61198425 8.79548370 6.20365376 -0.00481064 0.01885647 0.01049054 -0.00517858 0.04055761 -0.00946300 0.00598572 -0.01585325 -0.00649406 +H 9.35335268 7.51630107 6.96612181 -0.00189413 -0.03573290 -0.00081085 -0.11100193 -0.24715108 0.03086328 -0.03197117 -0.01418652 -0.01235214 +H 9.60046534 7.50844820 5.34006870 -0.01134713 -0.00941186 -0.00240848 -0.11927377 0.06782243 -0.06729866 -0.00761080 0.02437975 -0.02353806 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98761634 5.49834542 5.81698937 -0.00869856 -0.00278593 0.00026534 -0.03148350 -0.01047639 0.01258275 -0.00070640 0.00079127 0.00070565 +C 2.30817575 5.91792584 5.94973531 -0.00007113 0.00313144 0.00826739 -0.01584215 0.04730460 0.01898012 -0.00480864 0.00963965 -0.00306530 +H 0.65665818 5.66075879 4.97172896 -0.00786823 0.00144325 0.01959633 -0.11634620 0.03930530 0.01112569 -0.00570125 0.00082145 0.02519238 +C 3.03992095 5.59554206 7.09269295 -0.00249664 -0.00139274 -0.00303292 -0.00439482 -0.02822036 0.00104755 -0.00020230 -0.00736831 0.00355432 +H 2.33097855 7.16708726 4.12472298 -0.00232135 -0.01637659 -0.00803694 0.08459256 -0.11799785 -0.01797589 0.01044101 -0.00252782 -0.01936884 +C 4.43429050 5.82749884 7.17437408 -0.00253307 -0.00235618 -0.00212675 -0.01043224 -0.01211858 -0.02229402 -0.00037611 -0.00067827 -0.00337109 +H 2.60762857 5.11158496 7.91031627 -0.00758166 -0.01726132 0.00391654 -0.06471440 -0.13912761 -0.05923764 0.00119522 -0.00926420 -0.03081564 +C 5.09728273 6.60660907 6.17443746 0.00278572 -0.00296625 -0.00020146 -0.00335604 -0.01157227 0.01766591 -0.00162983 0.00025037 0.00427638 +H 4.97399657 5.35232838 7.98512522 0.01908612 0.00754429 0.00686796 0.03437467 0.13900212 -0.00656321 -0.00797211 0.02081195 -0.00213913 +C 4.31665984 7.20873562 5.13946158 0.00593783 -0.00300699 0.00411793 0.02685745 -0.03922324 0.00338686 0.00087964 -0.00685825 -0.00397067 +N 6.40174757 6.91291320 6.44399512 0.00582272 0.00014935 -0.00000503 0.03898486 -0.00349235 -0.01301161 0.00299293 -0.00100710 -0.00358379 +C 2.94086659 6.77804786 4.98240224 0.00400700 0.00449973 -0.00378191 0.02527533 0.01892265 -0.00223407 0.00364713 -0.00119611 0.00566644 +H 4.81836736 7.78062656 4.40612385 0.00193452 0.01264156 -0.02654758 -0.07997746 0.03011995 -0.01053282 -0.01692944 -0.01012537 0.02670279 +C 7.37630557 7.32771272 5.60881666 0.00168182 0.00273224 0.00124493 0.03510217 0.00394520 0.03062766 0.00665676 -0.00046749 0.00095382 +H 6.75549815 6.55476997 7.35145747 -0.00351431 0.01905469 0.00358723 -0.01945161 0.17509126 0.02887748 0.00521960 0.02229442 0.01945429 +O 7.36939244 7.58110616 4.45237769 0.00326233 0.00256080 -0.00721290 0.00519569 0.02245012 -0.06027117 -0.00130904 0.00309925 -0.00653363 +C 8.74522914 7.24785133 6.27512831 -0.00557656 -0.00258930 0.00325654 -0.03240236 0.00274992 0.02445095 0.00177792 0.00189756 0.00348577 +H 9.09835427 6.27741449 6.33038929 -0.01183809 0.00913299 -0.00064968 -0.07006827 -0.12692214 0.11687557 -0.02255142 0.00684911 0.02695630 +H 9.44884289 7.65684162 5.65232321 -0.00883193 -0.00699936 0.01386430 0.04250254 0.05735395 -0.05763499 -0.01457301 -0.00004677 0.00674846 +H 8.89085853 7.82674522 7.15128651 -0.01819783 0.01553050 0.00547134 -0.18333462 0.01866624 0.07925231 -0.02956274 -0.01960150 -0.00015029 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97908122 5.86295198 5.80631088 0.00372189 -0.00550837 -0.00479916 -0.00442380 -0.04458463 -0.03540058 -0.00409263 -0.00705539 -0.00563601 +C 2.28556290 5.93732654 5.95316000 -0.00514462 0.00193362 -0.00124858 0.01660722 0.04131927 0.00897968 0.00584379 0.00915889 0.00413379 +H 0.67687808 5.94085455 4.94713244 -0.00082062 0.00736282 -0.01364392 0.03155085 0.03029638 -0.04743653 0.01206007 0.00004867 0.00928413 +C 2.85175277 6.21034131 7.26111502 -0.00211239 0.01028584 0.00391932 -0.02516716 0.05828058 -0.01065519 -0.00310053 0.00543152 -0.00517736 +H 2.64275185 5.89848039 3.80425270 0.01578043 -0.01214983 0.01783974 0.11380501 -0.06364270 -0.01185844 0.00794103 -0.00522765 -0.01204498 +C 4.24982276 6.43922954 7.40513439 -0.00357093 -0.00430780 0.00024838 -0.01518921 -0.02073387 0.01155879 -0.00181388 -0.00138970 0.00187574 +H 2.10162212 6.33267994 8.05918562 0.01294830 -0.01365666 -0.00105617 0.12337808 -0.13881790 0.11225091 0.01266351 -0.01973293 0.02475016 +C 5.05084030 6.56402180 6.24855426 0.00349385 0.00394836 0.00847066 0.01626846 0.03035750 0.04835706 -0.00004290 0.00399626 0.00184455 +H 4.75323911 6.61670402 8.35675782 0.01406270 -0.01214359 0.01110091 -0.08444442 -0.11324090 0.01290840 -0.02644364 -0.01745512 0.00975775 +C 4.41438218 6.45430616 5.02490104 0.00191528 0.00292422 0.00089950 0.02815945 0.00269477 -0.02043456 0.00487739 -0.00143127 -0.00289503 +N 6.41027083 6.91140701 6.40110657 0.00061464 -0.00062753 -0.00020119 0.01188811 0.00295917 0.02259070 0.00236444 0.00160613 0.00758657 +C 3.10528081 6.06417673 4.78601566 -0.00236676 -0.00338907 -0.00025951 -0.02287744 -0.02180404 0.04479447 0.00033422 -0.00197226 0.00973869 +H 5.00928453 6.46834791 4.10078669 -0.00366913 0.01571959 0.01875622 0.06626726 0.18144785 0.03135372 0.01903153 0.02794391 -0.01665730 +C 7.46864603 7.17737509 5.60778695 -0.00356275 0.00057156 -0.00220742 -0.02119990 0.01172106 -0.01770517 -0.00158959 0.00256021 -0.00345345 +H 6.70475035 7.11048289 7.32391409 -0.00378260 -0.00034505 0.00656974 -0.06300555 -0.05489104 0.06690987 -0.00851703 -0.01450670 0.00184010 +O 7.41211057 7.12660564 4.39858981 -0.00184547 0.00030555 -0.00617551 -0.01462759 0.00095758 -0.04705937 -0.00240043 0.00008540 -0.00617801 +C 8.80596152 7.61195414 6.27097080 0.00254211 -0.00488503 0.00136604 -0.00296266 -0.02329143 -0.01217218 -0.00365093 -0.00415306 -0.00282217 +H 8.64411910 7.80978314 7.33413643 0.01145058 -0.00650438 0.02179663 0.18021536 -0.13017156 -0.00417938 0.02853838 -0.02743194 -0.01649261 +H 9.45303382 6.77341171 5.93711269 -0.00166992 0.01840136 -0.01817589 0.08893488 0.04842814 0.05668659 0.02498523 -0.00892849 0.02268055 +H 9.24783568 8.49540040 5.72487687 0.02230807 0.01023177 0.00048138 -0.00540370 -0.04398138 0.15002414 -0.01027606 0.00822127 0.02030925 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96224940 5.78585148 5.72726526 -0.00310024 0.00093746 0.00384784 -0.01495379 0.00306824 0.01955567 0.00060958 0.00137836 0.00372916 +C 2.29839844 6.11413691 5.81896805 0.00440826 0.00015832 -0.00203990 0.00760795 0.00599418 -0.00015678 -0.00270684 -0.00045736 0.00205022 +H 0.61298112 5.30321404 4.97544605 -0.01812339 -0.00354004 -0.01470973 0.04773761 0.03548035 0.02480002 0.01419210 -0.00811820 -0.01265425 +C 2.61344947 7.46758792 6.18468704 -0.00027255 -0.00367340 0.00257594 -0.01699517 -0.02768976 0.00760260 -0.00277056 -0.00219535 -0.00088089 +H 3.24521947 4.12666948 5.57879563 0.01120205 0.00925105 -0.01107678 -0.06633850 -0.04856002 -0.06830945 -0.02064426 0.00700179 -0.00021610 +C 3.94698190 7.83045265 6.35661511 -0.00315770 0.00479401 -0.00178347 -0.01119000 0.04990926 -0.01270654 -0.00087110 0.00701889 -0.00224910 +H 1.84003616 8.19090241 6.34617881 -0.01238609 0.02210655 -0.03263523 0.00725470 -0.00303050 -0.17547662 0.00819509 -0.02111338 -0.01084298 +C 4.98204723 6.95333185 6.03462098 0.00205331 0.00609637 0.00164647 0.00112933 0.02200756 0.01545462 -0.00003797 0.00119401 0.00268294 +H 4.19376679 8.82630326 6.69690970 0.00349422 0.01316258 0.00206575 -0.03883914 0.05679139 -0.06534562 -0.01239163 0.01084601 -0.01840088 +C 4.63800675 5.60791800 5.81767540 0.00645520 0.00283158 -0.00498082 0.06833745 0.00965754 -0.02883603 0.01049525 -0.00225001 -0.00277143 +N 6.27405488 7.41124344 6.03036156 -0.00376901 0.00239257 0.00445970 0.02620080 0.02937959 0.02850058 0.00968149 0.00646623 0.00380384 +C 3.33633349 5.16204980 5.75085517 0.00468325 -0.00347199 0.00064026 0.02609613 -0.00739308 -0.00788014 0.00282751 0.00024861 -0.00360457 +H 5.44000015 4.94179787 5.72902537 0.00754529 -0.02513209 0.01119710 -0.01956071 -0.13094538 0.01374056 -0.01515470 0.00735693 -0.00817663 +C 7.51829494 6.85487361 5.83236738 0.00235188 -0.01047034 -0.00250499 -0.02610389 -0.06393588 -0.01087565 -0.00767124 -0.00436635 0.00027456 +H 6.36675360 8.35255352 6.11023944 0.01252636 0.02312049 0.01191560 0.01951444 0.06406277 0.11291191 -0.00581059 -0.03323138 0.01538385 +O 7.69601300 5.66059497 5.55610289 -0.00111279 -0.00781099 -0.00261666 -0.00770090 -0.05148074 -0.01694192 -0.00128466 -0.00728860 -0.00234201 +C 8.72317575 7.75810625 5.93975997 -0.00625453 0.00084337 0.00096161 -0.02585325 0.03252297 0.01569030 -0.00287532 0.00638485 0.00094737 +H 8.68611770 8.56579696 6.66189223 0.00035965 0.03253762 0.02894777 -0.12731191 0.00468192 -0.01987848 -0.03605080 -0.01642776 -0.02522695 +H 9.57536510 7.15246467 6.31316887 -0.00372574 0.03048513 0.01235786 -0.00357456 0.13295770 0.04966080 0.01030504 0.00159639 0.00390993 +H 9.03868687 8.16275505 5.01513163 -0.00398958 0.00831995 -0.02421877 -0.09779181 -0.00238391 -0.05096805 -0.02343942 -0.01041393 0.02366089 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92995303 5.70899018 5.86609059 0.00394438 -0.00362826 0.00185342 0.04859049 -0.02488650 0.01981238 0.01112702 -0.00207670 0.00275827 +C 2.24833673 6.11452019 5.83069610 0.01310347 0.00528629 0.00258378 0.07245631 0.04739350 -0.01855699 0.00471901 0.00522452 -0.00588626 +H 0.78788232 5.05604750 6.50808324 -0.00315905 -0.01085650 0.02416041 -0.00145999 0.03544354 0.04492500 0.00280801 0.01055627 0.00073744 +C 2.71581362 7.11872200 4.88916030 -0.00696216 0.00549954 -0.00833940 -0.04465305 0.02415769 -0.02891583 -0.00262405 0.00304074 -0.00056103 +H 3.09788342 4.69700159 7.25053850 -0.01686386 -0.00484202 -0.01301643 -0.19065222 -0.01783031 -0.01643423 -0.01683627 0.02253590 -0.00338667 +C 4.07014833 7.52460989 4.81726128 -0.00005091 0.00465987 -0.00654919 -0.01607899 0.03418436 -0.02481715 -0.00522061 0.00362322 0.00050732 +H 1.95492763 7.59947964 4.27297509 -0.00394161 0.00723451 0.00372620 -0.03291646 0.05294120 -0.02284697 -0.00810569 0.00465568 -0.00897267 +C 5.03815097 6.97605763 5.70306695 0.00615591 -0.00116248 -0.00012505 0.00118398 -0.01477306 -0.00441087 -0.00539137 -0.00219992 -0.00207327 +H 4.26365603 8.38421100 4.18840489 -0.03048590 0.02354685 0.00031060 -0.05963528 0.02909218 -0.03455706 0.01746554 -0.01238195 -0.01111293 +C 4.54830615 6.05286287 6.69595576 0.00064442 0.00084686 0.00424048 0.03028764 -0.00822816 0.00963691 0.00908907 -0.00293388 -0.00072990 +N 6.34975032 7.40326076 5.59184703 0.00011952 -0.00583960 -0.00178392 0.03074292 -0.04337923 0.00108334 0.00523204 -0.00449269 0.00061470 +C 3.22599007 5.53119567 6.62742646 0.00668359 0.00058818 0.00068080 0.05628783 0.00673099 0.01871007 0.00600221 0.00008456 0.00439651 +H 5.18585323 5.55070964 7.36836077 0.01469677 -0.00845247 0.02284394 0.05600027 0.06457119 0.04976873 -0.00401282 0.02572847 -0.01313011 +C 7.52757534 6.81173654 6.05893046 -0.00122277 -0.00318387 0.00429848 -0.03957385 -0.00048298 0.02925704 -0.00796577 0.00203654 0.00398556 +H 6.48242026 8.29205069 5.18734891 -0.01339327 -0.00500041 -0.01371059 -0.05300697 -0.05111891 -0.08234084 0.00454857 -0.02337060 -0.00069819 +O 7.61065971 5.66731485 6.49505631 -0.00539838 -0.00042533 -0.00120708 -0.03869057 -0.00805052 -0.00778231 -0.00551345 -0.00197077 -0.00077150 +C 8.74723115 7.72935470 6.19374045 -0.00967153 0.00121161 0.00046861 -0.06634422 0.00943547 -0.00068637 -0.00812598 -0.00076757 -0.00097104 +H 8.69395933 8.44267460 7.05127829 -0.00385491 -0.02563819 0.02316372 -0.06717467 -0.19240234 0.08703657 -0.01409255 -0.01318392 0.01370041 +H 9.68935190 7.20918497 6.26411095 -0.01362484 0.01161048 -0.00966086 -0.05892082 -0.03716660 -0.03597474 -0.01364094 -0.01398951 -0.00352839 +H 8.84665245 8.30215278 5.25993983 -0.01138495 -0.00591026 0.00937990 -0.09989766 0.06932344 0.04015682 -0.01652913 0.02950615 0.00218793 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99038912 5.82121544 5.67107813 0.00428038 -0.00104292 -0.00197379 0.02698783 -0.00384906 -0.01724922 0.00273578 -0.00169135 -0.00255322 +C 2.30857738 6.07141735 5.83422207 0.00505609 0.00144864 -0.00233697 0.02100598 0.02949124 0.00021434 -0.00089516 0.00640418 0.00188556 +H 0.71474743 4.91464346 5.72741822 -0.00256367 0.02746900 0.01513021 -0.01263634 -0.00595796 0.11597820 0.01039527 0.00131837 0.01332912 +C 2.61575925 7.42361088 6.08639278 0.00165076 0.00061849 0.00394846 -0.00096434 0.02039441 -0.00000946 0.00081658 0.00333352 -0.00293488 +H 3.11193368 4.09414026 5.53076089 -0.01731465 -0.01367909 0.00098668 -0.03060809 0.01105269 0.07839831 0.00366158 0.00581636 0.01647814 +C 3.90416185 7.90510860 6.17765045 0.00401750 -0.00638657 0.00035776 0.03439852 -0.02596715 0.02336158 0.00400648 0.00114716 0.00650186 +H 1.88006578 8.23654628 5.90617967 0.00343526 0.00955123 -0.00190816 -0.03357157 -0.06596580 0.15964209 -0.02830407 -0.00493716 0.04098105 +C 4.97820700 7.02100672 6.08641799 -0.00536543 0.00534347 -0.00413651 -0.00364075 -0.02696415 -0.05123767 0.00389990 -0.01274450 -0.00988008 +H 4.09300121 8.93160501 6.33532778 0.00582011 -0.01349342 0.03017163 0.02640978 -0.01182913 0.13795290 0.00123126 -0.00758918 0.00370575 +C 4.61842494 5.63464676 5.82654320 -0.00754290 -0.00480516 0.00035551 -0.00530642 -0.00846793 0.00919588 0.00683189 -0.00128684 0.00095844 +N 6.35219115 7.47429247 6.05222271 -0.00161294 0.00051448 -0.00590481 -0.05671430 -0.00539905 -0.03696623 -0.01020776 -0.00142211 -0.00449149 +C 3.33880604 5.11739994 5.79217205 -0.00142357 0.00113907 0.00260318 -0.04014901 0.00473866 0.00295087 -0.00727173 0.00138381 -0.00109674 +H 5.36947800 4.95674939 5.60205599 -0.01218296 -0.00015162 -0.00375028 0.01942666 -0.09001954 0.00974871 -0.00761396 0.00032598 0.01457097 +C 7.47631120 6.83841560 5.85614173 0.00423455 -0.00318296 0.00802060 0.05815228 -0.03816304 0.05179901 0.00638531 -0.00119282 0.00677106 +H 6.49840823 8.44307940 6.19605080 -0.03816531 -0.00703355 -0.01425824 -0.20500382 0.05675225 -0.08227984 -0.01399023 -0.00723185 -0.01269971 +O 7.68061699 5.58816319 5.67675078 -0.00052040 0.00221963 -0.00077819 -0.01424370 0.03579136 -0.00221412 -0.00243921 0.00530726 0.00001091 +C 8.72029651 7.72510097 5.97199804 0.00336989 0.00456086 0.00279704 0.01560883 0.02734768 -0.00092737 -0.00020833 0.00117708 -0.00148192 +H 9.35711002 7.74423892 5.05767505 0.00016628 -0.00556950 -0.00893957 -0.07917669 -0.06923781 0.00336130 -0.00656828 -0.01081918 -0.00827875 +H 8.45588195 8.77840843 6.18309764 -0.00102822 -0.00458708 -0.00717222 -0.00291223 0.00903936 -0.01671910 -0.00042020 0.01427366 0.00401801 +H 9.37784743 7.37504037 6.80153538 -0.02305851 -0.00326845 -0.02285853 -0.03870384 -0.05619827 -0.00467023 0.01711093 -0.00759648 0.02204116 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.07950655 5.84936692 6.04909901 -0.00080198 -0.00882302 0.00349311 -0.01967361 -0.07251875 0.02369016 -0.00251554 -0.00869288 0.00157400 +C 2.36744419 6.11302464 5.80629341 0.00094098 0.00116239 -0.00126389 0.01262411 0.01789188 -0.00370564 -0.00172314 0.00349864 0.00059610 +H 0.83352662 5.05061665 6.53407870 -0.00777442 -0.03255698 0.00156563 0.07594479 -0.10447765 -0.08581877 0.01808046 -0.03684413 -0.00479997 +C 2.65856680 7.46416612 5.44643167 0.00637828 0.00336723 -0.00144582 0.00512432 -0.00425541 -0.00806629 -0.00543735 -0.00377978 -0.00086717 +H 3.07279372 4.16168101 6.31403721 0.01395526 -0.01296128 0.01037466 0.15624055 0.02036533 0.04883961 0.02021306 0.03089624 0.00050859 +C 3.96747124 7.94880254 5.48944995 -0.00275219 -0.00000442 0.00282292 0.00775513 -0.02679762 0.01402309 0.00264101 -0.00412628 -0.00028042 +H 1.80492134 8.01212738 5.16681614 -0.02581216 -0.01492786 -0.00958034 0.00251945 0.03460790 0.00815816 0.03370809 0.01789662 0.01325038 +C 4.98718557 6.95860998 5.75549305 0.00004204 0.00527627 -0.00521785 -0.00070181 0.04036664 -0.02244201 0.00147034 0.00385030 -0.00071424 +H 4.29575426 8.96008972 5.31057008 -0.01533830 -0.00666280 -0.00751368 -0.17444076 0.01630778 -0.07039544 -0.02465551 -0.00028698 -0.00604156 +C 4.68824704 5.59019853 6.04802632 -0.00953873 0.00060648 -0.00285026 -0.04344421 0.02917425 -0.02875203 -0.00133961 0.00900700 -0.00494815 +N 6.27024547 7.47162167 5.84194067 0.00416729 0.00458460 -0.00389916 0.02497811 0.02240559 -0.03354160 0.00244413 0.00109944 -0.00506743 +C 3.38158358 5.13639902 6.06693304 0.00225706 0.00994396 0.00061163 -0.02614457 0.06923004 0.00616494 -0.00764461 0.00665127 0.00168533 +H 5.43411525 4.83339881 6.26413335 -0.02375401 0.00450580 0.00655857 -0.08529987 0.01022768 0.05690397 0.00175106 0.00124965 0.00553832 +C 7.42530266 6.80667992 5.99041445 -0.00419118 0.00369142 0.00655845 -0.00381639 0.00121918 0.06139505 0.00333166 -0.00371144 0.00933469 +H 6.36646347 8.47825966 5.71398125 0.01648353 0.00066674 -0.00385456 0.08317380 0.00632060 -0.01481278 0.00557274 0.00878928 -0.00265492 +O 7.55721035 5.56614695 6.15168293 0.00108791 -0.00709055 0.00031812 0.00540456 -0.01662365 -0.00328602 0.00004046 0.00274782 -0.00092820 +C 8.64798354 7.73190677 6.12069355 0.00602155 -0.00334207 0.00012486 0.01579522 -0.02311166 -0.01794377 0.00041629 -0.00498393 -0.00252713 +H 9.36268794 7.26550412 5.45173343 -0.01756257 -0.00352912 -0.00840428 0.04876201 -0.04915228 -0.00484057 0.02126225 -0.00443603 0.01054823 +H 8.41527023 8.69263971 5.62380994 0.01730076 0.02492896 0.00413337 0.15591809 0.03421640 0.18218740 0.01828694 -0.00093339 0.03315602 +H 8.97072416 7.80888534 7.14453576 -0.00990954 -0.01725914 0.00827447 0.00749770 -0.10075088 0.01398675 0.00982792 -0.01357776 -0.01649527 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96098733 5.83361713 5.92578222 -0.00326115 -0.00566077 0.00370990 -0.00948095 -0.04465146 0.02404646 -0.00058111 -0.00901671 0.00235540 +C 2.31237941 6.07514107 5.91395334 -0.00086828 0.00339381 -0.00188140 -0.02735179 0.03295772 -0.00687566 -0.00489164 0.00300341 -0.00073252 +H 0.81424996 4.97769994 5.63231289 -0.01093270 0.01059004 0.00257059 -0.12340583 -0.04856242 -0.01924151 -0.00918962 0.01562791 0.00634913 +C 2.63244394 7.37145135 6.31867603 -0.00344905 0.00199876 0.00466887 -0.02329759 0.02380294 0.01637426 -0.00299035 0.00496793 -0.00052074 +H 3.15687489 4.22857570 5.23619732 0.00385487 -0.01853529 -0.01466986 -0.04859431 -0.07815018 -0.07391396 -0.00820038 0.02921689 0.00516767 +C 3.95298914 7.81801426 6.29169783 -0.00477918 0.00214331 -0.00632446 -0.02566693 0.01908617 -0.05065687 -0.00243102 0.00396477 -0.00670752 +H 1.83075726 8.07771749 6.50589820 0.00318320 0.01067333 -0.01343257 0.00968007 0.04921330 0.03176983 -0.00335828 0.00288488 0.02342400 +C 4.96514881 6.95248385 5.77667792 -0.00629453 0.00486867 0.00181397 -0.01716465 0.03449637 0.02681479 0.00227358 0.00233302 0.00393246 +H 4.13342504 8.84256837 6.55388792 0.01149835 0.00654416 0.00406473 0.07097699 -0.02525351 0.01869775 0.00256227 -0.01124679 -0.00159005 +C 4.63162980 5.64051872 5.39925656 0.00095944 0.00024946 -0.00481556 0.01912425 0.00099569 -0.01979533 0.00291245 0.00264883 0.00031204 +N 6.27362375 7.45263796 5.91549772 0.00062370 0.00388633 -0.00365084 0.00512440 0.01862850 -0.02113026 0.00142227 0.00259969 -0.00057325 +C 3.31228360 5.20736090 5.48508526 0.00335811 -0.00323828 0.00024359 0.01148456 -0.03369628 -0.00495853 -0.00198418 -0.00675692 -0.00216071 +H 5.37304931 4.85708600 5.17833844 0.00837597 -0.00396159 0.00435262 0.05562788 0.09865019 -0.03706413 0.01772158 0.01568266 -0.01910838 +C 7.50146339 6.88532811 5.87809792 0.00258968 -0.00284264 0.00774860 0.01284224 -0.03496869 0.06142412 0.00043349 -0.00375080 0.00832861 +H 6.27169403 8.30064909 6.41127023 -0.00205387 -0.01210574 0.01293610 0.04334280 0.06283405 -0.01565748 0.01307568 0.00649979 -0.03209267 +O 7.69471052 5.65449074 6.00606890 0.00036347 -0.00298728 -0.00097371 -0.00757144 -0.01200924 -0.01587132 -0.00223631 -0.00154624 -0.00311632 +C 8.75881106 7.74575631 5.94073175 0.00544076 0.00109553 0.00312062 0.03827582 0.00755769 -0.00648245 0.00699509 0.00062936 -0.00258836 +H 8.95846272 8.34385000 5.09442800 0.03627528 0.02972379 -0.01526224 0.08176360 0.06844139 0.03007647 -0.01807151 -0.01505005 0.02717238 +H 8.79399531 8.35102245 6.83704064 0.03002190 -0.02854636 -0.01798123 0.18501677 -0.06365960 0.08967119 0.01643886 -0.00224699 0.02008682 +H 9.56137814 7.03453850 5.98380362 -0.00663810 -0.00250082 -0.00978088 0.06509446 -0.02159493 -0.04926863 0.01019326 0.00628065 -0.00773670 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98924741 5.71150408 5.85932529 0.00488772 0.00028156 -0.00189935 0.02342163 -0.00243983 -0.01502811 0.00247769 -0.00143112 -0.00016374 +C 2.33969243 5.92577997 5.90601042 0.00087998 0.00226819 -0.00205072 -0.00460807 0.01123925 0.01981924 0.00028312 0.00182224 0.00734287 +H 0.45697051 5.84886154 5.05088668 -0.00062874 -0.01952690 -0.01075791 0.14927826 -0.11704740 -0.05744362 0.02194091 -0.01091426 -0.03599428 +C 2.97056766 5.73982451 7.13521439 0.01055362 0.00123602 0.00702167 0.07478364 0.00344741 0.02983757 0.00614929 -0.00291072 0.00429242 +H 2.68215303 6.71901741 3.82986138 -0.00306906 0.00980225 -0.02613063 -0.07327526 -0.09200951 0.08755695 -0.04237271 -0.01684744 -0.01489398 +C 4.34818064 6.01650020 7.25764975 0.00203337 0.00264867 0.00333860 0.04123108 0.02441731 0.03686400 0.00890285 0.00439178 0.00427452 +H 2.47581191 5.38502543 7.95768874 0.03673813 -0.02159297 -0.00987084 0.08477356 -0.18842441 0.08300158 0.01384931 -0.00344206 -0.01295469 +C 5.09350756 6.57461847 6.21421695 0.00480807 0.00296243 -0.00095275 -0.00653249 0.00802041 -0.00166929 -0.00800100 -0.00002138 -0.00109451 +H 4.88937814 5.87628158 8.21229569 0.02218798 -0.01432551 -0.00165535 0.01610091 -0.12235431 -0.04497285 -0.00207943 -0.02026850 0.01241800 +C 4.42476238 6.78136254 5.03767586 -0.00678885 -0.00134211 -0.00539106 -0.04513411 -0.00607012 -0.06480718 -0.00490317 -0.00114774 -0.00958472 +N 6.42911007 6.76172511 6.39532655 -0.00735905 0.00283433 0.00208192 -0.02233248 0.01629301 0.03159720 0.00039056 0.00157824 0.00573843 +C 3.08080011 6.42190003 4.86336330 -0.01002996 0.00046975 0.00028539 -0.05696531 0.03325676 -0.04448682 -0.00430477 0.00658777 -0.00570622 +H 4.89285722 7.20334941 4.13903379 -0.00238969 -0.01543478 -0.01324415 0.01968039 -0.09849160 -0.02782738 0.01188942 -0.00472439 -0.01026201 +C 7.38040612 7.34768691 5.69006348 -0.00969990 -0.00451099 0.00218669 -0.03616309 -0.01817755 -0.00891885 0.00103565 -0.00049058 -0.00353542 +H 6.84126610 6.38710194 7.24819351 -0.00210403 -0.00783329 -0.01618629 -0.06374704 -0.10689002 -0.01835646 -0.01116325 -0.01982379 0.01400535 +O 7.14551548 7.93414137 4.64594497 0.00843037 0.00083034 0.00005823 0.05404892 0.00982829 -0.00287912 0.00628330 0.00187974 -0.00109260 +C 8.85566030 7.17432211 6.10329046 -0.00267336 -0.00085323 0.00246178 -0.04143242 -0.01405715 0.02468280 -0.00988629 -0.00193852 0.00143501 +H 9.46618274 8.07603602 5.99062357 -0.00604426 -0.01133194 0.00902944 -0.05455569 0.00423288 0.02300273 -0.00987334 0.00845896 0.00173864 +H 8.94550593 6.89579783 7.21028420 -0.00619934 -0.01542168 -0.00706654 -0.03929652 -0.14124475 -0.10898837 -0.00185081 -0.03197227 0.01545967 +H 9.27860318 6.40172070 5.43482039 -0.01753258 0.00432943 -0.00603913 -0.06670799 0.01718679 0.01259117 0.00296508 -0.00450130 0.00137877 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.05411145 5.67254983 5.82153760 0.00461815 0.00001191 0.00058968 0.00593198 -0.01486574 -0.00174086 -0.00309590 -0.00132973 0.00013473 +C 2.32008919 6.10573101 5.86839910 -0.01029526 -0.00061217 0.00063030 -0.02745835 0.03878278 0.00628917 0.00496366 0.00807811 0.00063962 +H 0.93873544 4.80787650 5.39159848 0.00559081 -0.01893158 0.00349304 0.07326086 -0.01682887 0.09803849 0.01072603 -0.02831020 0.00549144 +C 2.57551872 7.48239864 6.12560225 0.00660492 0.00462389 0.00092622 0.01474930 -0.02062016 0.00806947 -0.00068025 -0.00884842 0.00118782 +H 3.22490244 4.24029156 5.58665912 -0.00269818 0.02564080 0.00459273 -0.05556787 -0.06855161 -0.04102489 -0.00126501 -0.00093233 -0.00619554 +C 3.90013442 7.86941222 6.20117778 -0.00343598 -0.00494489 0.00039557 0.01648229 -0.01179481 0.00472178 0.00620586 0.00271965 0.00052957 +H 1.69621106 8.13072541 6.38382637 0.01649985 -0.01282930 0.00263494 0.11434621 0.05151001 -0.05224261 -0.00400825 0.03582601 -0.01126768 +C 5.01946370 6.95638488 6.10771844 0.00279280 0.00258629 -0.00833001 -0.00915218 0.03725205 -0.05410870 -0.00182994 0.00579099 -0.00659971 +H 4.05066293 8.92176030 6.38224169 -0.02221592 -0.00635306 -0.01128169 -0.04628533 0.00348928 -0.03113999 0.01266272 0.00534776 0.00390938 +C 4.73144048 5.62876258 5.91477932 0.00898019 0.00014152 -0.00481475 0.03328392 -0.00176722 -0.04278908 0.00211686 -0.00200199 -0.00612262 +N 6.29086403 7.40914524 6.26853598 0.00171156 -0.00209575 0.00527759 0.04084471 -0.00905992 0.02341203 0.00689178 -0.00190489 0.00037847 +C 3.39378114 5.25816100 5.70159190 0.00150853 0.00330340 0.00086564 0.01443889 0.00381034 0.01620492 0.00016281 -0.00483498 0.00277125 +H 5.49294720 4.91742597 5.82786176 -0.00216762 0.00634203 0.02813531 0.07197361 -0.07964088 0.16209951 -0.00664932 0.00165123 0.00971247 +C 7.46256724 6.88233310 5.73885688 0.00066530 -0.00743918 -0.00805512 -0.02647928 -0.01073710 0.00365973 -0.00708783 0.00511836 0.00933219 +H 6.32921712 8.28632954 6.79295973 0.00096869 0.00922167 0.01572035 0.09974598 -0.07473984 0.04322650 0.02714827 -0.00735159 0.01090227 +O 7.50673921 5.93397375 4.95753094 -0.00333964 0.00423649 0.00499342 -0.02093431 0.01585871 0.01984754 -0.00277713 -0.00056906 -0.00009352 +C 8.75798365 7.48187425 6.30752340 -0.00729102 -0.00175390 -0.00038350 -0.05886373 -0.00904485 -0.02195720 -0.00649976 -0.00210903 -0.00397512 +H 9.05341461 7.11426728 7.26904301 -0.00129249 0.01438719 0.00034583 -0.06674901 0.09912939 0.05789625 -0.02424753 0.01017678 -0.00364808 +H 9.50622421 7.11700233 5.61606089 -0.04140662 -0.00627837 0.00980251 -0.03972019 -0.09469232 -0.02397544 0.01823099 -0.00992407 -0.00303489 +H 8.76946665 8.56979899 6.12631575 0.00825150 -0.00071277 0.00821045 0.03190267 -0.01793007 0.12658177 -0.00358880 0.00350162 0.01487243 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01793727 5.66141696 5.87959415 0.00122748 0.00195553 -0.00041142 -0.00370286 -0.00489974 0.00495817 -0.00214325 -0.00075369 0.00101884 +C 2.27043612 6.11304712 5.86098515 -0.00390170 -0.00466762 -0.00258666 0.00182657 -0.01158394 -0.02052672 0.00289795 0.00310357 -0.00281309 +H 1.05495270 4.73908577 6.14591341 0.02699477 -0.02114978 -0.01102892 0.05833239 0.01303949 -0.13971536 -0.00912710 -0.01938634 -0.01882889 +C 2.56700424 7.47837502 5.70566012 -0.00394905 -0.00040298 0.00011516 -0.01852040 0.00671986 0.00768995 0.00100974 0.00088081 0.00043047 +H 3.10299678 4.16223393 6.26564471 -0.01000849 -0.00990446 0.01155441 0.01999221 0.04304721 -0.00591390 0.01127278 0.01095488 -0.00856778 +C 3.91924112 7.92226637 5.57850268 0.00099732 0.00015084 -0.00239574 0.00179211 -0.00481450 -0.00701009 -0.00239550 0.00313730 0.00043211 +H 1.75875598 8.20630353 5.90547788 -0.01252607 0.01312523 -0.00881657 0.00755186 -0.00809258 -0.25375952 -0.00319746 -0.00094967 -0.05231890 +C 5.04244993 7.02034441 5.78718083 -0.01267770 -0.00281891 0.00083693 -0.08679216 0.00951995 0.01228796 -0.00508557 0.00367946 0.00340125 +H 4.06647862 8.92509078 5.41255034 0.02291381 0.00728579 0.00407084 0.13921462 0.05178954 0.05179878 0.00258110 -0.02966136 0.01100177 +C 4.65303595 5.69213936 6.06169414 -0.00053659 0.00330269 0.00030462 -0.00466292 -0.00295495 -0.00593202 -0.00080941 -0.00359827 -0.00152454 +N 6.33802098 7.52967871 5.90086230 0.00506533 -0.00155999 0.00754818 0.01170448 -0.02408465 0.03911961 -0.00635195 -0.00697736 0.00301389 +C 3.32852702 5.19276239 6.03035702 -0.00183208 0.00449631 0.00283418 -0.01303266 0.03035413 0.02791999 -0.00041566 0.00324710 0.00469528 +H 5.37961147 4.92360300 6.22229878 0.00821641 0.02304838 -0.00522851 0.10685694 0.09301727 0.03309683 0.00632643 0.00475590 0.01157450 +C 7.49033827 6.83035112 5.97811961 0.00141321 -0.00303290 -0.00593765 0.01912742 -0.02491730 -0.03407924 0.00412027 -0.00079830 -0.00298624 +H 6.57217645 8.53189175 5.83966774 -0.02748779 0.01135392 0.00777136 -0.25381978 -0.02647311 0.09084189 -0.02224573 -0.00102124 0.01822491 +O 7.61980892 5.57861367 5.89331610 0.00835159 0.00173721 0.00048769 0.05286143 0.02497236 0.00364135 0.00669428 0.00359794 0.00023117 +C 8.73228521 7.68445213 6.15770051 -0.00279519 0.00214286 -0.00531460 0.00444398 -0.01781603 -0.02662414 0.00133956 -0.00394592 -0.00179991 +H 9.22233964 7.48022760 7.12888869 0.02342397 -0.00813207 0.01556388 -0.00918960 0.00577390 -0.09754062 -0.01246164 -0.00220333 -0.01526389 +H 9.45558242 7.35453766 5.35274494 0.00680175 -0.02870278 -0.00050474 -0.03560421 -0.03194690 0.06748228 0.00943685 0.00997856 -0.00916033 +H 8.43088829 8.72561270 6.02661432 0.01666328 -0.01397172 0.02522025 0.16551030 0.06053576 0.12500618 0.02556540 0.01135703 0.00357997 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94278913 5.72953777 5.71888405 0.00050953 0.00521861 -0.00140961 0.02190278 0.02640858 -0.00055755 0.00429236 0.00305014 0.00124146 +C 2.30199078 5.91924507 5.93281977 -0.00064755 0.00242366 0.00521346 0.00818915 -0.01002131 0.02580483 0.00300571 -0.00496244 0.00186587 +H 0.46745749 6.50488609 6.02378468 0.00219950 -0.00937811 -0.02849240 -0.07372860 0.04238164 -0.19838876 -0.00541423 0.00517897 -0.03054918 +C 3.21195762 4.86139763 6.24664825 0.00005107 -0.01230647 0.00408818 -0.02056096 -0.07206894 0.02766642 -0.00519318 -0.00501882 0.00213912 +H 2.15501814 7.83359754 5.23582199 0.04071870 0.02569277 -0.00725330 0.23511146 0.24495705 -0.05686016 0.03209182 0.00510631 0.00393028 +C 4.61993116 5.06981374 6.24234335 -0.00622036 -0.00249911 0.00136600 -0.04704918 -0.00694485 0.01797932 -0.00670030 -0.00111565 0.00434392 +H 2.78937266 3.88650318 6.55813838 0.01936973 -0.03399397 -0.01715051 0.14157919 -0.13022189 -0.18565287 0.00548593 -0.01741240 -0.02387506 +C 5.13780715 6.37286088 6.01162487 -0.00136294 -0.00600929 -0.00109724 -0.02943184 -0.04324718 -0.01191683 -0.00558056 -0.00478572 -0.00167886 +H 5.32552932 4.26601261 6.45352683 -0.01071483 0.01163663 0.00906674 -0.08058328 -0.01477686 0.07592209 -0.00867706 -0.01460001 0.00902141 +C 4.22918058 7.40669691 5.66562288 -0.00218645 -0.00329446 0.00551309 0.00776859 -0.02584351 0.02167060 0.00572504 -0.00357024 -0.00047939 +N 6.50544847 6.46875006 6.02375757 -0.00319894 0.00535748 0.00277988 -0.00896251 0.04014087 0.02321320 -0.00019797 0.00668823 0.00326869 +C 2.85449088 7.15383792 5.60700521 0.00662795 0.00035787 -0.00465425 0.02769675 0.00555472 -0.02869093 0.00008352 0.00361133 -0.00380334 +H 4.52587006 8.35204933 5.28900130 0.01171786 -0.01707054 -0.02863292 0.13139926 -0.08193747 -0.06514095 0.01481588 -0.01510982 0.01848625 +C 7.35139911 7.50530047 5.90708110 -0.00150838 0.00700509 -0.00155200 0.00644217 0.03123993 -0.01517222 0.00229936 0.00194723 -0.00236634 +H 6.96857897 5.56564060 6.20204776 0.00906447 0.01210875 -0.00747644 0.05456416 0.10069714 -0.03431377 0.01199280 -0.00217176 0.00231169 +O 7.09713620 8.64902949 5.57684841 0.00174208 0.00477887 0.00019589 -0.00239623 0.04130653 0.00314439 -0.00215714 0.00680075 0.00069681 +C 8.83084804 7.15096804 6.05801751 -0.00039453 0.00005637 -0.00354747 -0.00950741 -0.01381696 -0.02468869 -0.00123865 -0.00455691 -0.00318153 +H 9.15922281 7.13693255 7.10149769 0.01781666 -0.03361874 -0.02549150 0.05431293 -0.20724420 -0.05446408 -0.00853209 -0.02016241 0.00654752 +H 9.02467274 6.18975370 5.62868845 -0.00211346 -0.02236989 -0.00395795 0.00698222 0.00259921 -0.07267308 0.00091421 0.02835974 -0.01972236 +H 9.41934630 7.95443932 5.58295414 -0.01212619 0.00385935 0.02651553 0.01796504 0.02135956 0.07718212 0.01673080 0.00137805 -0.00467616 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03714317 5.70789439 5.83182803 -0.00457323 -0.00803936 0.00318154 -0.04098647 -0.06281277 0.01260641 -0.00510625 -0.00967358 0.00227294 +C 2.33709334 5.87888136 5.91033736 0.00073231 0.00103496 0.00242400 -0.00182125 0.03490762 0.02643894 -0.00289875 0.00830557 0.00468976 +H 0.81376314 5.85470155 4.89101330 0.00899956 0.00216760 -0.00058747 -0.04911563 0.00109039 0.05804231 -0.03048424 0.00329678 -0.01353417 +C 3.02176198 5.58727254 7.10756024 -0.00686926 -0.00218815 -0.00422282 -0.01156942 -0.02369641 -0.00159643 0.00636695 -0.00216100 0.00153184 +H 2.41149759 7.07727869 4.03934996 0.01759547 0.00822046 0.00109602 0.08829812 -0.00217878 0.03570307 -0.00321778 -0.00313245 -0.00385383 +C 4.39196052 5.89181453 7.24704202 0.00733218 0.00376477 -0.00156664 0.03154386 0.01073189 -0.01141601 -0.00036806 -0.00148128 0.00005236 +H 2.59101908 5.05538647 7.97578315 -0.00995198 0.00087123 0.01814821 -0.10241436 0.05209282 -0.08376465 -0.02571510 -0.00229819 -0.01548713 +C 5.06841453 6.58001163 6.22348368 0.00567355 0.00637150 -0.00274827 0.04005673 0.01905986 0.00485510 0.00223906 -0.00028997 0.00116897 +H 4.96220294 5.47246673 8.03556952 0.00628285 -0.00391008 0.01922367 -0.04774256 0.08629772 0.09230492 -0.01844827 0.02959581 -0.00341908 +C 4.30947101 6.96162328 5.13084370 -0.00072562 -0.00066033 -0.00249146 0.01559872 0.01258732 -0.05837587 0.00872144 0.00360077 -0.01190266 +N 6.48509277 6.66499763 6.38750221 -0.00345571 -0.00034297 0.00002997 -0.01857936 0.01234862 -0.02881474 -0.00061878 0.00316548 -0.00690017 +C 2.93075409 6.68308579 4.93346955 0.00237699 0.00715823 0.00449719 0.03452337 0.04025292 0.03976388 0.00638909 0.00362689 0.00686870 +H 4.76886626 7.42115953 4.31935829 0.01941950 -0.02251562 -0.02860934 0.08990510 -0.09280788 -0.10730604 -0.00649383 -0.00735422 0.00938399 +C 7.41729464 7.31823355 5.59846091 -0.00308318 0.00064428 -0.00094962 -0.03518507 -0.01352306 0.00938695 -0.00506516 -0.00291639 0.00109957 +H 6.84845850 6.12247561 7.13335919 0.01653836 -0.01725504 -0.00330237 0.04464673 0.01046405 -0.06249329 -0.00892868 0.02010315 -0.01458484 +O 7.23601248 7.83148797 4.49373307 0.00456508 0.00363540 -0.00554076 0.02849541 0.02179126 -0.02591573 0.00342567 0.00191136 -0.00054770 +C 8.77870378 7.31671480 6.25678392 -0.00587759 -0.00589642 0.00674065 -0.03005169 -0.04521730 0.03985422 -0.00275146 -0.00291371 0.00293828 +H 8.64310864 7.35507688 7.36342262 -0.00384631 0.00727449 0.00848967 0.03914217 -0.02991996 0.00378155 0.00906599 -0.01348269 0.01105215 +H 9.41407575 6.48861472 5.87768838 0.01320243 -0.00889185 -0.00071423 -0.04526751 -0.01822913 0.11709606 -0.01147678 -0.01303131 0.02238404 +H 9.34469634 8.16816988 6.01280278 -0.01484097 -0.01317921 0.00323041 -0.07452995 0.05441715 -0.02451984 -0.01956111 -0.00324564 -0.00025906 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95894906 5.84345384 5.88247299 -0.00440200 -0.00383391 -0.00085157 -0.04242850 -0.03289976 -0.01874587 -0.00539093 -0.00430255 -0.00197751 +C 2.26935946 6.07264483 5.94438118 0.00146698 0.00796912 0.00204726 -0.00518895 0.05006366 0.02286343 -0.00343534 0.00462404 0.00260422 +H 0.62996147 5.50111780 5.06208843 -0.01080175 0.00105145 -0.02743788 0.01996959 0.06144587 -0.03690749 0.00372360 0.00473554 -0.01583127 +C 2.71576041 6.72930448 7.07974530 -0.00110465 0.00050189 0.00210336 0.03225623 0.02531365 0.03341174 0.00772684 0.00493079 0.00541517 +H 2.77168682 5.16000569 4.05664911 -0.00011557 -0.03707163 0.00629379 0.05596850 -0.15113188 0.17057956 0.00386391 -0.02166342 0.01101708 +C 4.13346309 7.03068980 7.18604528 -0.00661706 -0.00470257 0.00078785 -0.04422002 -0.02213560 0.00662345 -0.00092377 -0.00074030 -0.00048323 +H 2.06007889 7.11722023 7.88850537 0.01964197 0.00896635 0.01880966 0.08527765 -0.06279539 0.03894808 -0.01086986 -0.01514662 0.01177767 +C 5.03661036 6.77754817 6.14678184 -0.00222500 0.00833289 0.00029121 -0.03031278 0.02539442 -0.03913013 -0.00652116 0.00004874 -0.00833879 +H 4.49944979 7.51665223 8.07930463 0.03332906 -0.00222247 -0.01716668 0.08751768 -0.00738180 -0.07442985 -0.01629814 -0.00119530 0.00310079 +C 4.50600543 6.04354645 4.98675659 -0.00123632 -0.00068366 -0.00482587 0.03412782 0.02329319 -0.00719254 0.00472531 0.00740675 0.00574022 +N 6.35933330 7.26040186 6.30081810 -0.00468607 0.00597828 0.00297434 -0.04039117 0.03506625 0.02606879 -0.00501682 0.00368221 0.00314880 +C 3.14916769 5.68963242 4.95389108 0.00373791 -0.00338391 0.00694186 0.02361731 -0.03779392 0.01338065 0.00409591 -0.00469753 0.00123948 +H 5.21963631 5.78679288 4.11401446 0.01221616 0.00926128 -0.02120251 -0.10441856 0.07914894 0.05412951 0.00687702 -0.00282430 -0.01621965 +C 7.52548120 7.03069276 5.69984375 -0.00016292 -0.00140682 -0.00158769 -0.01326310 -0.02166453 -0.03050277 -0.00381269 -0.00310084 -0.00472398 +H 6.40172497 7.82018506 7.12656973 -0.01711007 -0.00295754 -0.00056916 -0.00881892 0.07022303 0.03268057 0.01147818 0.01255626 -0.00297745 +O 7.59139674 6.24783426 4.73593022 0.00811214 -0.00090270 -0.00570841 0.05737063 0.00143247 -0.03011018 0.00760029 0.00095773 -0.00318958 +C 8.77881327 7.76348097 6.17352756 0.00328410 -0.00387178 0.00149907 0.01437415 -0.04338106 0.00617668 0.00155336 -0.00597100 -0.00217246 +H 8.59687692 8.48053175 6.99833281 0.00036504 -0.00860960 -0.01726643 0.00266961 -0.10160449 0.04054525 -0.00289350 -0.01843612 0.03128036 +H 9.54708322 7.03071660 6.32768230 0.01524396 -0.02328433 0.00723282 0.03396731 -0.01003507 0.09451247 -0.00797401 0.02053176 0.01269187 +H 9.08882301 8.35237089 5.37239710 -0.01249741 0.01414323 0.02762285 0.01624382 0.14515165 0.02604595 0.00612399 -0.00643314 0.01198922 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.06027103 5.79866697 5.75744134 -0.00125406 -0.00240470 -0.00317938 -0.02979716 -0.02072112 -0.02282056 -0.00719635 -0.00364075 -0.00427846 +C 2.35570161 6.09764681 5.95543930 -0.00732113 -0.00493081 0.00109240 -0.03648714 -0.03852398 -0.03106028 -0.00138162 -0.00501736 -0.00513780 +H 0.75927890 5.60588202 4.91418079 0.01122665 0.01225984 -0.02550746 0.13248671 0.10178560 -0.08758260 0.02139505 0.01660049 0.00816914 +C 2.84103375 6.29533369 7.20234146 0.00475374 0.00310839 -0.00263310 0.03291257 0.01204544 0.02431464 0.00307236 0.00024703 0.00610827 +H 2.74364489 6.06057862 3.82281987 0.01632146 0.00611516 0.00269764 0.10867864 -0.01737150 -0.02267483 0.00718240 -0.00957225 -0.00949724 +C 4.21366879 6.53702899 7.39407215 -0.00361928 0.00756605 0.00372131 0.00008691 0.04319377 0.01998621 0.00632727 0.00423220 0.00093654 +H 2.20980376 6.10470224 8.07038244 0.03152730 0.00843240 0.02721015 0.15926278 0.11387209 0.08332328 -0.00074563 0.01742452 0.00561213 +C 5.07392208 6.65675432 6.30594960 0.00263655 -0.00092413 -0.00352153 0.02012925 -0.00653492 -0.01605166 -0.00036169 -0.00138460 0.00053934 +H 4.63192195 6.56553693 8.37125446 0.02317740 -0.01973570 0.00340965 0.03388149 -0.04727226 0.01944953 -0.01779962 0.01105866 -0.00374807 +C 4.56335257 6.49048625 4.99062395 0.00262559 -0.00245379 0.00090397 -0.02877001 -0.02024857 0.00733775 -0.00643175 -0.00136558 0.00103417 +N 6.41671809 6.95879072 6.58727970 -0.00054486 -0.00132436 -0.00197001 -0.00906736 -0.00712279 -0.02788255 0.00030499 -0.00004795 -0.00663828 +C 3.19774730 6.12964696 4.81732100 -0.00447168 -0.00225524 0.00013208 -0.01785866 0.00509896 0.01611661 -0.00030165 0.00300080 0.00233565 +H 4.96576670 6.62195725 3.99944195 0.00783051 0.03008586 0.03137281 0.23565308 0.17406521 0.16069893 0.01667212 0.00516149 0.01992623 +C 7.34782283 7.07502866 5.63735062 0.00225615 0.00510063 -0.00185993 0.04100381 0.04218453 -0.00058595 0.00571170 0.00526185 0.00311508 +H 6.64850413 7.14806209 7.55567878 0.00349466 -0.00875112 0.00417526 0.02971391 -0.03698952 -0.04900081 0.00333079 -0.00054839 -0.00744686 +O 7.30133242 6.70309187 4.45498543 -0.00196308 0.00230224 0.00616052 -0.01591209 0.01649854 0.04166062 -0.00142169 0.00238269 0.00472761 +C 8.68191768 7.73774043 6.05915656 0.00068696 -0.00400279 -0.00312655 0.00099244 -0.03245647 -0.00831571 0.00360542 -0.00431476 -0.00096256 +H 9.44894554 7.19900264 5.59477878 -0.02668220 -0.01037428 -0.01580872 -0.01444766 -0.10864322 -0.13728271 -0.00414446 0.00607874 -0.00488270 +H 8.81962163 8.75211740 5.75173506 -0.01048655 -0.01391883 0.02229186 -0.12009033 0.04376640 0.00566165 -0.01944965 -0.00023128 -0.01188992 +H 8.85991430 7.79010691 7.12309405 0.03145444 0.00151844 -0.00673321 0.14325773 -0.11391842 -0.02408164 0.00408933 -0.03319696 -0.00607945 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94579676 5.91978107 5.85380707 0.00828160 0.00094158 0.00268127 0.02611426 0.00122430 0.03847830 -0.00324853 -0.00108103 0.00605265 +C 2.29184349 5.94239958 5.95811876 -0.01035045 -0.00427147 0.00404095 -0.00557971 -0.00805313 -0.00046097 0.01111672 0.00204521 -0.00483621 +H 0.50212623 5.74447504 5.07365412 -0.01901820 0.00910161 0.03024599 -0.03625938 0.03575294 0.02495346 0.03052233 0.00810759 0.01054780 +C 2.92511637 6.15817987 7.18716010 0.00436332 0.00090127 -0.00003681 0.00252516 -0.00390388 0.00752500 -0.00831383 -0.00223321 0.00572720 +H 2.71658032 5.82258790 3.80995901 0.00226561 -0.01049892 -0.01181004 0.00940775 0.01562813 0.00833546 -0.00662858 0.01094463 -0.00755599 +C 4.27973145 6.41611255 7.39660976 -0.00400218 0.00490694 -0.00098279 -0.00539577 0.03760415 -0.03021757 0.00208308 0.00463030 -0.00962021 +H 2.38731282 6.10676208 8.05637616 0.00205728 -0.00410541 -0.04426684 -0.19936619 -0.02165518 0.02191386 -0.01056985 0.00246253 0.00226565 +C 5.06916093 6.58483210 6.24490719 -0.00194082 -0.00755054 -0.00500451 -0.01264804 -0.05076928 -0.04038444 -0.00191021 -0.00571809 -0.00338139 +H 4.68295173 6.56583424 8.42784238 0.01972798 -0.00186093 -0.01428700 0.06954580 -0.01036611 -0.11427368 0.00551351 0.00444114 0.00770704 +C 4.47274940 6.33213504 4.95769239 0.00077540 0.00327286 0.00401181 -0.00087917 0.02276751 0.01682393 -0.00159674 0.00245081 -0.00213565 +N 6.42634746 6.90840755 6.38519840 -0.01037149 -0.00062791 -0.00131776 -0.05889834 -0.00921907 0.02381393 -0.00483092 -0.00168836 0.00344603 +C 3.10169858 6.02674145 4.82406518 0.00095915 0.00067148 -0.00554187 0.00122248 -0.00645345 -0.03221690 -0.00032325 -0.00189667 -0.00035460 +H 5.01969730 6.39524133 4.02345913 -0.00236318 0.00784953 0.01171766 0.07396424 0.06214995 0.06841352 0.01833269 0.00865167 0.00576945 +C 7.41701383 7.26130320 5.60594882 -0.00039493 -0.00285816 -0.00523549 0.01725782 -0.02803065 -0.00789664 0.00339750 -0.00541437 0.00575332 +H 6.78555157 6.87986241 7.34758786 -0.01416562 -0.00802075 0.01948157 -0.19208468 -0.05603562 0.00339867 -0.02338418 -0.00720798 0.01632068 +O 7.29822247 7.42965573 4.41675635 0.00332982 0.00199216 0.00464753 0.02162531 0.01753151 0.00717203 0.00281324 0.00292172 -0.00297528 +C 8.82002837 7.40022126 6.27492671 0.00572182 0.00075718 0.00202847 0.02305995 0.00996181 -0.00579211 -0.00102487 0.00417267 -0.00243320 +H 9.42617161 6.42607300 6.28259787 0.01039577 0.02242598 0.02160006 0.02152508 0.10598181 0.08855002 0.01276895 -0.02332449 0.00255835 +H 9.40281099 8.14508023 5.72808341 0.00786682 0.00013312 -0.02335097 0.00837239 -0.04966202 -0.05648517 -0.00041247 -0.00778680 0.00298487 +H 8.70254067 7.70212516 7.31057709 0.01107083 -0.00316966 -0.00726588 0.07250679 0.06887703 0.00334144 0.00704400 0.02135187 -0.00290997 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01441598 5.89482368 5.65326250 0.00031591 0.00807107 0.00155983 -0.00459380 0.04757369 0.00919976 0.00032870 0.00722503 0.00187118 +C 2.31000933 6.16408104 5.86640866 0.01009806 -0.00479484 0.00338504 0.04232162 -0.03154421 0.01603441 0.00090085 -0.00295327 0.00155429 +H 0.76154779 5.01126686 5.31446708 -0.00053663 -0.00285198 0.01149888 0.06089632 0.03733867 0.11464635 0.00408202 -0.02103909 0.00891734 +C 2.67221798 7.42911999 6.19814240 0.00098477 0.00343208 0.00150031 0.00162380 0.02572898 0.02037085 -0.00039552 0.00231355 0.00362073 +H 3.09790781 4.19944711 5.42052214 0.01397130 -0.02020416 -0.01174635 -0.00321779 -0.04250940 -0.05584703 -0.00849401 0.00744942 -0.00225979 +C 4.02298628 7.71521025 6.40784842 0.00059310 -0.00279623 -0.00786533 -0.01079061 0.01786967 -0.03660721 -0.00106178 0.00633417 -0.00282529 +H 1.86630673 8.11699224 6.38146659 -0.00386245 0.01226285 0.00264296 0.06826510 0.10347677 -0.01253627 0.01825000 0.01282767 -0.00653782 +C 5.03812312 6.80734405 6.21525532 -0.00152589 -0.00496072 -0.00044098 0.00830322 -0.03046670 -0.00485353 0.00172831 -0.00064864 -0.00059679 +H 4.15978749 8.71591704 6.79098737 -0.00553966 0.00300096 -0.01190362 0.09127464 0.02573212 -0.14337854 0.02674426 0.00860999 -0.02546935 +C 4.69089690 5.47798200 5.88313877 0.01248078 0.00511296 -0.00122162 0.01842647 0.03259305 -0.02302690 -0.00318250 -0.00249521 -0.00701832 +N 6.32796578 7.29718559 6.33315547 0.00069992 -0.00920104 -0.00746454 -0.01997355 -0.03632892 -0.02903222 -0.00537575 -0.00243561 -0.00165861 +C 3.28903709 5.20923135 5.70307437 -0.00014477 -0.00511752 0.00071281 0.05887648 -0.06956167 0.00061367 0.01444853 -0.01241957 -0.00052313 +H 5.37300526 4.72407180 5.66584722 -0.02019439 0.02429206 -0.01781873 0.11727903 -0.00104228 -0.10586510 0.01402809 0.01503808 0.00264931 +C 7.42925093 6.89115307 5.76451638 -0.00392802 0.00772425 0.00517845 0.01564193 0.03624564 0.00815121 0.00530878 -0.00025451 -0.00349404 +H 6.40880109 8.20407306 6.82971027 -0.00708508 -0.00197350 -0.00106610 -0.04418115 -0.09539598 -0.04678783 -0.00386806 0.00979125 0.00732732 +O 7.56513370 5.89204477 5.08953476 -0.00707749 0.00122319 0.00374419 -0.04955289 0.00625243 0.02393307 -0.00620764 0.00114418 0.00315346 +C 8.67475185 7.79395976 5.97262738 -0.00624085 -0.00085640 0.00443233 -0.05035007 -0.00742808 0.02187602 -0.00721111 0.00048466 0.00378066 +H 8.43142963 8.83184795 5.94019971 -0.01195568 0.01042838 0.00474739 -0.07325850 0.01318778 0.13430951 -0.00401135 -0.01876039 0.03069001 +H 9.03904915 7.43570752 6.93273540 -0.00614737 -0.02555821 -0.01961259 0.05651663 -0.06355649 -0.02194007 0.01562922 0.00968488 0.00462335 +H 9.48393579 7.67184940 5.22510679 -0.00782407 0.00782789 -0.00489481 -0.13815716 -0.01021988 -0.01554718 -0.01988752 -0.00774006 -0.01108528 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.07464542 5.64322308 6.07560339 0.00257603 0.00782131 0.00024986 0.00796528 0.04207003 -0.00142741 -0.00182444 0.00632935 0.00032673 +C 2.36562087 6.09105379 5.92418053 -0.00749925 0.00034757 -0.00023138 -0.04953407 0.00379671 0.00631782 -0.00187782 -0.00025060 0.00149487 +H 0.93256103 4.73277944 5.76306465 -0.00970035 -0.00567948 0.00457301 -0.02855194 0.07416852 0.06354179 -0.00428139 -0.01559894 -0.00023008 +C 2.66177902 7.37504479 6.40789047 -0.00527998 -0.00357294 0.00961627 -0.03218435 -0.02001123 0.05365429 -0.00156111 -0.00206265 0.00390221 +H 3.20906949 4.27043034 5.05691577 -0.00556228 -0.00545880 -0.00866283 -0.11625803 0.00386290 -0.11268610 -0.02022342 0.00667690 -0.01590474 +C 3.97110283 7.84186273 6.29759710 -0.00409830 -0.00024881 -0.00264241 0.00209613 0.00710544 -0.01678102 0.00296866 -0.00028477 -0.00246684 +H 1.89209011 8.01175712 6.87628042 -0.01396375 0.00004330 -0.01426671 -0.07149694 -0.02608891 -0.09728502 -0.01433291 0.00267853 -0.00219024 +C 5.03429514 7.05517121 5.81984776 0.00326648 -0.00495968 -0.00479430 -0.00683371 -0.03703834 -0.03713122 -0.00451636 -0.00350479 -0.00504164 +H 4.27114603 8.83929087 6.60069586 0.02448388 0.00691174 -0.02551828 -0.00660351 0.00813848 -0.08424291 -0.02258445 0.00444079 0.00497497 +C 4.68021667 5.79111378 5.26214351 -0.00115778 -0.00292104 -0.01237256 -0.02702296 -0.01628378 -0.07741998 -0.00416890 -0.00248708 -0.00869217 +N 6.32860423 7.52575372 5.91882231 0.00507387 0.00096146 0.00324265 0.02545420 0.01369154 0.01971232 0.00120742 0.00057839 0.00183370 +C 3.34301680 5.30874371 5.32714858 -0.00232781 -0.00950031 0.00425105 0.00290380 -0.05977098 0.03237329 0.00010970 -0.00582004 0.00438639 +H 5.35192010 5.14401298 4.71386467 -0.00418854 0.01013454 0.00390299 0.09950501 0.00233441 0.03085046 0.01489201 -0.00431114 0.00334956 +C 7.41338346 6.80572877 5.94257798 0.00652324 0.00410724 0.00959759 0.06047396 0.00627092 0.05429940 0.00684324 -0.00115580 0.00547101 +H 6.56172461 8.48935727 6.09065604 0.01275999 0.01816997 -0.01095592 -0.08470137 0.02892240 -0.08287091 -0.02846085 0.00074299 -0.00890500 +O 7.46807653 5.55744092 5.78844008 0.00232933 0.00468814 -0.00254735 0.02646273 0.05079941 -0.01022116 0.00564540 0.00853191 -0.00030474 +C 8.67251286 7.70958964 6.10379629 -0.00218160 -0.00448499 -0.00271991 -0.02215718 -0.03300276 0.01538539 0.00091633 -0.00435149 0.00176391 +H 8.45996613 8.49868059 6.85698167 -0.00993799 0.02577523 0.02818972 0.05446806 -0.06532545 -0.06057960 0.01498293 -0.01544784 -0.01917352 +H 9.50513056 7.08312452 6.38788047 0.01676052 0.01697694 -0.01062296 0.10092746 0.10716133 -0.03223717 -0.00023552 0.01125309 0.00113915 +H 8.84942872 8.12721517 5.15209668 -0.00703109 -0.02577894 0.01637480 0.01356652 -0.02280523 -0.07931144 -0.00185465 0.00297733 0.00136594 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94999277 5.81655364 5.92167359 -0.01047014 -0.00197624 -0.00097889 -0.07588552 -0.01273230 -0.00852804 -0.00697199 -0.00193960 0.00126740 +C 2.26273867 6.00691060 5.98865674 -0.00094293 0.00572090 0.00182191 0.03100319 0.01607610 0.02422297 0.00369543 -0.00170706 0.00386957 +H 0.57001354 6.08348049 5.06578493 -0.01862445 -0.00643216 -0.01316764 -0.08450819 -0.07509552 0.02123875 -0.02027298 -0.00352380 -0.01873428 +C 3.07078947 5.49890049 7.07606374 0.00605064 -0.00258487 0.00111281 0.01805826 0.01255316 -0.00477131 -0.00307195 0.00512997 -0.00237259 +H 2.23869544 6.98700920 4.20766067 0.01291516 0.01091421 -0.01555909 0.25675169 0.01906812 -0.17752713 0.05247812 -0.01859620 -0.01393362 +C 4.46097176 5.84329946 7.19748052 -0.00298924 0.00176901 0.00200383 -0.04854642 -0.00558973 -0.01083409 -0.00529081 -0.00377614 -0.00208272 +H 2.59271004 5.01597184 7.93509724 0.00940743 -0.00258040 -0.01336848 0.02126036 -0.07350622 -0.06574796 -0.00361465 -0.01745672 -0.00163079 +C 5.10424091 6.43016608 6.09382327 0.00092529 0.00303097 0.00331122 0.02296568 0.03251636 0.04065928 0.00347834 0.00574242 0.00822250 +H 4.90862768 5.56266952 8.11411535 -0.02326747 -0.02361149 -0.02210461 0.02581731 -0.14477547 -0.02334167 0.01110942 -0.00405481 -0.01165853 +C 4.35019366 6.78209634 4.93605760 0.00987706 0.00313489 0.00766490 0.04786753 0.01965777 0.04837917 0.00273224 0.00254238 0.00344408 +N 6.46375360 6.74271388 6.34564866 0.00088757 0.00295481 0.00106618 -0.01160391 0.00757081 0.00737013 -0.00325027 -0.00007272 0.00000405 +C 2.94412485 6.62352522 4.91191628 0.00309712 -0.00863436 -0.00031277 0.02101115 -0.04727435 0.00605230 0.00602884 -0.00262478 -0.00010496 +H 4.82098174 7.27706553 4.12981544 -0.00216413 -0.02176952 -0.00312533 0.05740428 -0.07723505 -0.06299594 0.00875967 -0.00743979 0.00976244 +C 7.42518491 7.34215336 5.64624981 -0.00267657 -0.00082186 0.00274161 -0.00702161 0.01122425 -0.00715875 -0.00009936 0.00399775 -0.00472124 +H 6.78697827 6.41217813 7.27382749 -0.00848787 -0.00738926 -0.00952102 -0.02191268 -0.03424422 -0.03689465 0.00913135 -0.00730347 0.01542595 +O 7.26494256 7.80456115 4.50208986 0.00606255 0.00427208 -0.00344331 0.04501486 0.02294842 -0.00721770 0.00636453 0.00222086 0.00134917 +C 8.78441050 7.43618007 6.40325156 -0.00446509 -0.00259040 -0.00490923 -0.03870936 -0.01357168 -0.04454045 -0.00725019 -0.00451888 -0.00871588 +H 8.90223874 6.45766070 6.90359649 -0.01931696 -0.00313984 -0.02134151 -0.08125372 0.01847355 -0.01583093 0.00029598 -0.00072138 0.01458414 +H 9.71549353 7.50682633 5.79173963 -0.00124138 -0.00906028 -0.00893400 -0.13912303 -0.01588269 -0.09679556 -0.01730792 0.00448205 -0.02807052 +H 8.72377384 8.36727715 7.08830415 0.00263638 -0.00280416 0.00241670 0.06117777 -0.18909979 -0.01432771 0.01157580 -0.00586374 0.02199585 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99887638 5.70973231 5.85983224 0.00479816 0.00630935 0.00024982 0.03948802 0.04664814 0.00297149 0.00698091 0.00720665 0.00048393 +C 2.31008937 6.11300268 5.90034099 0.00439693 0.00023732 0.00008586 0.04433732 0.02051555 -0.00515141 0.00559118 0.00391508 -0.00184567 +H 0.85838051 4.75110914 5.73735788 0.02089752 0.01676651 -0.01644463 0.13535985 0.07594625 -0.13413400 0.01175678 -0.00509171 -0.02242717 +C 2.65101056 7.49248315 6.23029934 -0.00820782 0.00379463 0.00176410 -0.06970550 -0.01849940 0.00660033 -0.00844132 -0.00508154 0.00085064 +H 3.11578876 4.18001701 5.23421325 -0.00154222 -0.00201305 -0.00085603 0.03862342 0.02165467 0.03072738 0.00623135 -0.00871369 0.00206087 +C 3.95147506 7.93667159 6.29701766 0.00120338 -0.00074876 0.00068123 0.00926472 -0.03582100 0.00924420 -0.00118063 -0.00869426 0.00296374 +H 1.81990661 8.09427141 6.49947599 -0.00909885 -0.01422210 -0.00618248 -0.09275007 0.04817226 -0.00375517 0.00128503 0.00859519 0.00020190 +C 4.97042332 6.99335552 5.99752761 0.00089692 -0.00350117 -0.00246478 0.01334069 -0.02627494 -0.01466041 0.00131090 -0.00462903 -0.00127077 +H 4.17723769 8.91370825 6.68413547 -0.00279741 -0.02780877 0.03187456 0.00751965 -0.05846587 0.13792777 0.00302369 -0.00197267 -0.00319623 +C 4.71504883 5.64363144 5.64752436 0.00067828 -0.00474835 0.00470395 -0.02153975 -0.04210218 0.02069528 -0.00573110 -0.00503014 0.00069472 +N 6.27793509 7.43553380 6.06499840 -0.00768994 0.00026517 0.00362954 -0.02507914 -0.00909280 0.01259772 0.00220205 -0.00377346 -0.00058510 +C 3.36275248 5.20472084 5.56598221 0.00464927 -0.00244758 -0.00288879 0.01610615 -0.00072603 -0.01065781 -0.00076868 0.00337469 0.00072359 +H 5.47033697 4.87740240 5.43027958 -0.01589452 -0.02259826 -0.02375985 -0.08916472 -0.01125662 -0.10408257 0.00619117 0.00755567 -0.00452148 +C 7.45620890 6.76448965 5.86178646 -0.00068051 0.00520987 -0.00571330 -0.00014743 0.06813311 -0.03403094 -0.00075570 0.01049313 -0.00426975 +H 6.34396935 8.46662746 6.15745572 0.00822881 -0.00076715 -0.01988520 0.05118728 -0.05184975 -0.04302640 0.00038065 0.01137058 0.01055173 +O 7.65733408 5.63768053 5.38785588 0.00220455 0.00160267 0.00597942 0.00879121 0.01916812 0.04906797 0.00009204 0.00462313 0.00802575 +C 8.65889486 7.72587301 6.17631730 -0.00024300 -0.00244964 -0.00864076 -0.01856639 -0.01594224 -0.05943291 -0.00533100 -0.00244663 -0.00395188 +H 8.40485816 8.53265885 6.81917001 -0.01780386 0.00374492 0.01596256 -0.03722258 -0.13348364 0.08809276 0.01029864 -0.04192992 -0.00548900 +H 9.60655702 7.21743421 6.41346073 -0.01681012 -0.00784493 0.00044384 -0.11862410 -0.09616533 0.08314079 -0.01462129 -0.01925609 0.01706129 +H 8.92708549 8.32789882 5.22565983 -0.00156297 -0.01906975 0.01815897 0.00792767 -0.10850790 -0.01456479 0.01497766 0.01061710 -0.04842801 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98554843 5.67553995 5.97349548 0.00444234 0.00190345 0.00392493 0.02841590 0.03729882 0.01073495 0.00414565 0.00610701 0.00100947 +C 2.26080172 6.12300708 5.78301602 0.00880037 0.00760204 -0.00262940 0.04699075 0.02168692 0.01257782 -0.00023340 -0.00294097 0.00561018 +H 0.76333862 4.90644390 6.44514080 0.01301603 0.02234965 0.00190886 0.16973822 0.00932619 0.09312275 0.03633602 0.02043070 -0.00209746 +C 2.58702308 7.46658911 5.42527897 -0.00060381 -0.00682817 -0.00388828 -0.02200896 -0.05242162 -0.04100792 -0.00172972 -0.00570717 -0.00732366 +H 3.07121884 4.25880530 6.44571285 0.00037096 -0.00849487 -0.00761024 -0.01526474 -0.06967224 -0.00011988 -0.00495296 0.01533020 0.00101057 +C 3.93477034 7.84694147 5.35215989 -0.00470889 -0.00688443 -0.00319060 -0.01338354 -0.02226593 -0.00864358 0.00111194 0.00061252 0.00074349 +H 1.73489917 8.07472358 5.11869646 -0.01457052 0.00627050 0.00043101 0.06532995 0.03313399 0.05882044 0.01335514 0.00733707 0.00812722 +C 4.99523132 6.99312680 5.75547100 0.00255365 0.00093152 0.00864311 0.01592888 -0.00093437 0.04981178 -0.00019449 -0.00145175 0.00463505 +H 4.13015160 8.85008857 5.10032944 -0.01276723 0.01334887 0.00523506 -0.05652474 0.00441860 -0.01347748 -0.00308649 -0.02146383 -0.00605660 +C 4.63542704 5.69249241 6.15930670 -0.00607637 0.00213898 -0.00340925 -0.02372820 -0.02031564 -0.01474195 -0.00375079 -0.00400890 -0.00088140 +N 6.35577268 7.42319291 5.73769599 0.00094646 0.00172412 0.00308390 -0.00430033 0.00221574 0.02345413 -0.00290736 -0.00017109 0.00283882 +C 3.30606525 5.25156266 6.19701260 -0.00957437 -0.00412460 -0.00185685 -0.05121704 -0.01425106 -0.02864182 -0.00152289 -0.00287714 -0.00516742 +H 5.38550282 4.87844877 6.35486764 0.01362678 -0.00862551 0.02286571 -0.04942912 0.16666024 0.13954202 0.00552932 0.01308721 0.02431387 +C 7.54563300 6.79458007 6.04898270 0.00159091 0.00364493 -0.00106626 -0.01544387 0.04451132 -0.01610101 -0.00482497 0.00554406 -0.00234947 +H 6.45184046 8.40922049 5.48570611 -0.01608856 -0.01861212 -0.03408322 -0.04229023 -0.08350042 -0.20397881 0.00638562 -0.00358704 -0.01895772 +O 7.69460701 5.59683125 6.27318494 0.00248180 0.00410247 -0.00361642 0.01713248 0.03194171 -0.02370370 0.00198550 0.00560156 -0.00326807 +C 8.71200476 7.80659869 6.08240876 -0.00073289 -0.00904961 0.00435566 -0.01037661 -0.05166981 0.01952780 0.00021065 -0.00598135 0.00707290 +H 8.49532308 8.77442597 5.49653063 -0.02334354 0.01488145 0.01185194 -0.03845547 -0.16175750 0.11425722 -0.00002397 -0.00819004 -0.00734499 +H 8.78242533 8.11984789 7.06781310 0.01813428 0.00416156 -0.00810942 0.16281511 0.00084416 0.08191294 0.01493204 -0.02052407 -0.01081418 +H 9.62290527 7.25258776 5.78112178 0.00284835 0.00520854 -0.00399401 0.01357694 0.11062619 -0.06582354 0.00489336 0.01442939 -0.01965879 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01715521 5.78440382 5.75415389 -0.00709219 0.00278168 -0.00024083 -0.05422757 0.00058218 -0.00177656 -0.00633620 -0.00001818 0.00073994 +C 2.30247836 6.10431463 5.93174347 -0.00225651 -0.00832915 -0.00130045 0.01252850 -0.04085068 -0.00898903 0.00459303 -0.00090948 -0.00087916 +H 0.91709637 4.85225263 5.50804745 0.00108817 -0.00858092 -0.03305566 -0.02683858 0.11873139 -0.18960808 -0.01506388 -0.00170079 -0.03704628 +C 2.64134778 7.42716185 6.33392158 0.00286944 0.00391475 -0.00017815 -0.00984276 0.00989124 -0.01250101 -0.00396985 -0.00518721 -0.00379981 +H 3.11387145 4.06099118 5.51922203 0.00486880 -0.00631879 0.00536367 0.03573453 0.03145054 -0.08438389 0.00769126 0.01054537 -0.02681546 +C 3.97136089 7.82589692 6.36522856 0.00217720 -0.00107246 0.00223244 0.00047952 0.00306817 0.01858225 -0.00535582 0.00463729 0.00423233 +H 1.90940398 8.20909141 6.52419161 -0.02713238 0.01856791 0.01870210 -0.03306425 -0.11683360 0.07855511 0.00264393 -0.02976669 0.00590103 +C 5.00147391 6.90590376 5.97932270 -0.00952064 0.01167751 0.00601132 -0.03110610 0.08888596 0.05576147 0.00471501 0.00718808 0.00735639 +H 4.16159165 8.84422011 6.66016091 -0.02211774 0.00335392 0.01414189 -0.04830700 -0.01322471 0.07427779 0.01098383 -0.00521563 0.00657773 +C 4.64258642 5.59583551 5.64784699 0.00888854 0.00121245 0.00230162 0.07132801 -0.00308222 0.00774901 0.01012519 0.00003397 0.00087361 +N 6.30048109 7.43081248 6.18414743 0.00283084 0.00646246 -0.00015429 -0.00233476 0.04328660 -0.00240132 -0.00313141 0.00553330 -0.00083948 +C 3.31005967 5.12378236 5.63417579 0.01194183 -0.00367914 -0.00293592 0.06602583 0.00448803 -0.00057183 0.00610232 0.00473173 0.00222369 +H 5.43807352 4.96083328 5.39309607 0.01115236 -0.02694110 -0.00892013 -0.01517654 -0.13909636 0.01512663 -0.01367525 0.00497971 0.01537551 +C 7.47465902 6.92324215 5.83868534 -0.00072997 -0.00205473 -0.00228143 -0.00763737 -0.03869473 -0.03366016 -0.00242227 -0.00586333 -0.00518351 +H 6.33386448 8.32112087 6.64402036 0.00087775 0.01332119 -0.00427083 0.04199893 0.06174519 -0.04295764 0.01185481 0.00370120 -0.00776607 +O 7.56238190 5.87269073 5.17816495 0.00217487 -0.00230141 0.00189524 0.01583984 -0.01388921 0.01636958 0.00199764 -0.00320347 0.00186751 +C 8.76390771 7.62927635 6.16587100 -0.00666863 -0.00554614 -0.00460189 -0.02087502 -0.04227471 -0.02706628 -0.00078595 -0.00512457 0.00021808 +H 8.69524177 8.34855504 6.90988150 -0.01167448 -0.00707840 0.01016038 -0.11029337 0.02154751 0.01124131 -0.01210723 -0.01194300 -0.03367831 +H 9.47807179 6.92717016 6.54497783 0.01279848 -0.01987421 0.00954262 -0.04206582 -0.05582432 -0.01299369 -0.02220989 0.00581294 -0.01360340 +H 9.22327898 8.02154152 5.23634780 -0.01100052 -0.01767782 -0.02681278 -0.12424192 -0.07752791 -0.03922338 -0.01266626 0.00371183 0.00126049 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04032635 5.56141806 5.69451218 -0.00499039 -0.00021454 -0.00176965 -0.03007061 0.00170879 0.00562656 -0.00311246 0.00129838 0.00450621 +C 2.31278275 6.00297908 5.78216595 -0.00044677 -0.00149297 0.00318739 0.02533863 -0.00516690 0.00300088 0.00481862 -0.00057507 -0.00299668 +H 0.65832663 5.81767942 6.48019182 -0.00690597 -0.00202391 0.00218801 -0.12379842 -0.07532201 0.00479356 -0.01349372 -0.02383788 -0.02073607 +C 2.90555944 6.39368979 4.55915791 0.00108099 0.00184100 -0.00062884 -0.00469443 0.01780559 -0.00454708 -0.00040848 0.00206809 0.00138619 +H 2.92200531 5.43714339 7.86857246 0.00345215 -0.00417977 0.01003362 -0.10667130 0.09956486 -0.00756235 -0.03276100 0.02155323 0.00184763 +C 4.26437791 6.81194025 4.47123630 0.00214158 -0.00179952 -0.00358863 -0.01462084 -0.00123216 -0.00929238 -0.00535586 0.00156851 0.00179364 +H 2.20110046 6.46297977 3.69785987 -0.00975698 -0.02645465 -0.01027336 0.11776663 -0.18084318 -0.00683252 0.01867925 -0.01791499 -0.01562889 +C 5.02721738 6.87502570 5.66126524 -0.00153627 -0.00431429 0.00175854 -0.00280602 -0.04171508 -0.00987359 -0.00003503 -0.00657245 -0.00402860 +H 4.61633431 7.15508485 3.50427680 0.00096405 0.02211475 -0.00410371 0.03909529 0.03993030 0.04134880 0.00845764 -0.01197973 0.00793877 +C 4.46700382 6.47662891 6.91725304 -0.00240083 0.00682821 0.00237555 -0.00554652 0.02114687 0.00599440 0.00033143 -0.00167293 -0.00042887 +N 6.39589646 6.97527381 5.37710644 -0.00542327 0.00658813 -0.00017196 -0.02546201 0.05793148 0.02162213 0.00025463 0.00899263 0.00429349 +C 3.14401033 6.00645898 6.95923555 0.00244043 -0.00253319 -0.00072728 0.00322626 -0.02910742 -0.00598314 -0.00086515 -0.00402049 -0.00169065 +H 5.08404254 6.20370354 7.73191185 0.00690592 -0.01795683 0.02040190 -0.04151013 0.06864412 0.04989108 -0.01743051 0.03926992 -0.00837068 +C 7.39661822 7.16415543 6.25904711 0.00706900 -0.00672323 0.00425842 0.04461283 -0.05478764 -0.01900233 0.00340141 -0.00811641 -0.00751390 +H 6.62519504 6.96996735 4.41008104 -0.00686284 -0.00424519 0.00578472 -0.00506742 0.00520369 0.00031194 -0.00093714 0.00834732 0.01201995 +O 7.25604517 7.04058797 7.43749114 -0.00347359 0.00277978 -0.00219919 -0.01866804 0.02417351 0.01162735 -0.00115214 0.00394527 0.00430788 +C 8.82379449 7.30669091 5.68125176 0.00794443 -0.00234993 -0.00153089 0.04490071 -0.03041174 -0.00989875 0.00429291 -0.00266045 -0.00237435 +H 8.88846656 7.83305927 4.75212430 0.01584164 0.03033657 0.00745828 0.05685822 0.19459800 0.11706340 -0.00385997 0.01087849 0.03420049 +H 9.51212420 7.68679427 6.45244779 0.00182111 0.00346510 -0.00016392 0.01357920 0.01069363 -0.02628636 0.00611255 -0.00506821 0.00134221 +H 9.12019029 6.24749032 5.46963767 0.01010467 -0.00768121 -0.02676349 0.09983787 0.09293047 -0.15599976 0.02574490 0.00865400 -0.02327090 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02946860 5.90083054 5.90238437 -0.00440299 0.00274487 0.00488180 -0.03855259 0.01264026 0.04068693 -0.00567602 0.00089881 0.00636559 +C 2.36450150 5.96952355 5.95213695 -0.00048412 -0.00227123 -0.00104007 -0.01285128 0.00506223 -0.03239899 -0.00414782 0.00255162 -0.00475577 +H 0.60147109 6.50594987 5.27252488 0.00068152 -0.00630406 0.01370412 -0.01598264 -0.00254603 0.01609893 -0.00856707 0.00701274 -0.01019400 +C 3.00157536 5.65586004 7.13020610 0.00127457 -0.00358980 -0.00076058 -0.00060081 -0.03423203 0.01164643 -0.00342832 -0.00594062 0.00236783 +H 2.41658600 7.02105225 4.07430655 -0.01539825 -0.00863643 -0.01599063 0.06244926 -0.16607512 -0.13854156 0.02680487 -0.03061700 -0.01963504 +C 4.37787192 5.87430633 7.29092793 -0.00618026 -0.00166600 -0.00062640 -0.01997607 -0.01631001 -0.00464200 0.00306499 -0.00158963 -0.00096390 +H 2.44412451 5.30378825 7.95181214 -0.01353219 -0.01353632 0.01085406 -0.03381656 -0.05210592 -0.00071250 0.00949042 0.00212461 -0.01490267 +C 5.14589912 6.28085090 6.18490594 0.00303584 0.00099051 0.00092778 -0.01527600 0.02879776 -0.03934747 -0.00479077 0.00530071 -0.00664463 +H 4.75986830 5.64463894 8.24546368 0.00553626 0.01972386 0.01464984 0.06232524 0.13495090 0.01275225 0.00226454 0.01435162 -0.02250615 +C 4.42815433 6.63325099 4.93187567 0.00325207 -0.00586456 0.00082271 0.03675650 -0.04549398 0.03470325 0.00308612 -0.00469595 0.00387942 +N 6.48771318 6.56649336 6.30830473 0.00299161 0.00244694 -0.00642535 0.02765654 0.02331142 -0.02769590 0.00346426 0.00367099 -0.00118434 +C 3.03367887 6.55110150 4.83650801 -0.00480265 0.00287086 -0.00459144 -0.02647399 0.01034255 -0.00340441 0.00113244 -0.00077594 0.00276899 +H 5.03827511 6.99487252 4.13557159 0.01402066 -0.00453416 0.02211430 0.01441704 0.01668209 0.00681321 -0.01588261 -0.00165959 -0.00748051 +C 7.34609264 7.39139965 5.62168325 0.00365202 0.00201611 -0.00117329 0.03291784 -0.01248178 0.00878431 0.00537863 -0.00306499 -0.00074324 +H 6.82788867 6.21701102 7.17924289 0.01155467 0.01511337 0.00641305 0.10071590 0.10474815 -0.03630487 0.01139282 0.00953644 -0.01258620 +O 7.16499669 7.93850788 4.57327168 -0.00086001 0.00409087 -0.00679690 -0.00866978 0.03307033 -0.04999933 -0.00075429 0.00405723 -0.00491792 +C 8.71150144 7.47683286 6.30380207 0.00610151 -0.00140874 0.00942767 0.02581533 -0.01406695 0.04831814 0.00050106 -0.00376372 0.00833826 +H 9.30261521 6.65134433 5.96381112 0.00760439 -0.01972998 0.02845925 0.06658157 -0.07143180 0.20655607 0.00641088 0.01449400 0.02341082 +H 9.25601873 8.38855366 6.07615035 -0.01802530 0.00830412 0.00779415 -0.08910861 0.06876422 0.05031373 -0.00389647 0.00127514 0.01163580 +H 8.52560343 7.47832349 7.32360311 -0.02017321 -0.02657789 -0.00390097 -0.04440557 -0.14846035 0.13377170 0.01641673 -0.00345945 -0.00486761 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03700131 5.63144359 5.78791246 0.00075245 0.00252201 0.00226161 0.00937826 0.02098292 0.01613968 0.00287002 0.00264389 0.00190337 +C 2.29481496 6.12613073 5.82763345 0.00574077 0.00661992 0.00045576 0.04211312 0.03200268 -0.00281254 0.00305058 0.00102287 -0.00104117 +H 1.07574206 4.73573156 5.62703296 0.00412350 -0.00533849 0.00280539 -0.03183640 0.00310177 0.01352017 -0.01211474 0.02358642 0.00426718 +C 2.65357594 7.37517869 6.38229755 -0.01183076 -0.00068794 0.00497938 -0.07147270 0.01431637 0.04102341 -0.00498238 0.00432922 0.00542581 +H 3.11718188 4.26492592 5.10922124 0.01396396 0.03024443 -0.02849799 0.08915657 0.12906851 -0.30709892 0.00430851 -0.00138964 -0.04962285 +C 3.96534260 7.83577742 6.56122480 -0.00123428 0.00213912 -0.00319111 -0.02520070 -0.00311914 -0.04278986 -0.00517513 -0.00090446 -0.00654392 +H 1.86347983 8.07664265 6.74529827 0.01199067 -0.01075746 -0.01396012 -0.10607104 -0.01946694 -0.03776444 -0.04799711 0.01208051 0.01098715 +C 4.98382800 7.01083592 6.09267082 -0.00306478 -0.00369987 0.00179185 0.02334122 -0.02811023 0.01335419 0.00707646 -0.00436231 0.00174727 +H 4.15051118 8.83176850 6.85994236 0.00872695 -0.01926789 0.00494872 0.05918907 -0.01715149 0.13494614 -0.00258782 -0.01402255 0.01406222 +C 4.64485840 5.74117168 5.55990860 0.00733605 -0.00719776 -0.00001639 0.05188064 -0.03453686 0.00479800 0.00760695 -0.00305512 0.00166816 +N 6.34143372 7.48083820 6.18262427 0.00517541 -0.00669114 -0.00286981 -0.02119244 -0.02745817 -0.01006495 -0.00922573 -0.00380188 -0.00072235 +C 3.34302086 5.32541191 5.36202517 0.00572033 0.00127690 -0.00378351 0.02604735 0.00985364 -0.00613399 0.00340142 0.00250703 0.00079909 +H 5.38666250 5.01053074 5.29725108 -0.00144899 0.01505448 0.01977940 0.10646460 -0.03753539 0.02588352 0.01129528 -0.01624753 -0.01203706 +C 7.44754514 6.84478403 5.89361521 -0.00508644 0.00840574 0.00184270 0.00772863 0.01184821 -0.01254847 0.00568376 -0.00619827 -0.00537026 +H 6.44148179 8.50028897 6.44449654 0.00928669 -0.00219758 -0.01378859 0.05370241 -0.09447665 -0.09218313 0.00436413 0.02259599 -0.00038471 +O 7.54861278 5.68300677 5.53241141 -0.00222978 -0.00237756 0.00139088 -0.01757142 -0.01122176 0.01691088 -0.00202086 -0.00022063 0.00350040 +C 8.72105062 7.63658881 5.82502780 -0.00221325 0.00255411 -0.00142842 -0.01844977 0.02839652 -0.00192683 -0.00182312 0.00604281 0.00243037 +H 9.10172193 8.01094506 6.72042350 -0.00664318 -0.01320752 -0.00450756 -0.09000696 -0.01702530 0.14508259 -0.02678784 0.00088428 0.00368743 +H 9.56892774 7.05173680 5.46092342 -0.01927557 0.00666945 0.01433582 -0.05365251 -0.03923181 -0.04095569 -0.00086900 -0.00988306 -0.01747584 +H 8.53825500 8.51162830 5.21261793 -0.01399515 -0.02264243 -0.00695771 -0.03123929 -0.04588705 -0.14231026 0.00829810 0.00413054 -0.01867371 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.88355555 5.83169205 5.74690712 0.00106285 -0.00146841 -0.00212903 0.03618062 -0.00796553 -0.01314424 0.00845768 -0.00162412 -0.00376757 +C 2.26243903 6.06369313 5.91856004 0.00389457 0.00481261 -0.00281014 0.01752449 0.02406382 -0.02479257 0.00217263 0.00242583 -0.00308735 +H 0.64270581 5.53050393 4.91973731 0.01450391 -0.01200611 0.00275323 0.09175793 -0.11925319 -0.01580465 0.01769717 -0.00861934 0.02463849 +C 2.68147580 6.99429283 6.85032122 0.00057155 0.00363883 0.00231082 0.00517455 0.04632471 0.02663802 -0.00059335 0.00847724 0.00401460 +H 3.12840132 4.80709737 4.37539708 -0.00679403 -0.01009330 -0.01229149 -0.06661341 -0.08469462 -0.00168387 -0.00389989 -0.00460262 0.02242364 +C 4.02705885 7.40871813 7.00910807 -0.00336851 0.00700063 0.01170654 -0.03130192 0.03196556 0.06717629 -0.00175145 0.00353918 0.00774180 +H 1.95658590 7.53162449 7.45729680 0.02608731 0.02282687 -0.00518395 0.03071385 0.09745947 0.00881634 -0.01993697 0.00221930 0.00732391 +C 5.04678452 6.90543090 6.23123667 0.00048894 0.00343549 -0.00384336 -0.03278067 -0.01057285 -0.04855626 -0.00979028 -0.00233346 -0.00501651 +H 4.13766392 8.12583987 7.76089239 -0.02415920 -0.01857409 -0.00344068 0.01579271 0.09842114 0.14253664 0.02092918 0.00988120 0.00639553 +C 4.63244608 5.90111999 5.28743056 -0.00394804 0.00196758 -0.00195180 0.00401413 0.01527439 -0.01218277 0.00419627 0.00035760 -0.00339094 +N 6.33266412 7.33265148 6.27825004 -0.00090980 -0.00119604 0.00316038 -0.00200464 -0.00414822 0.03527587 0.00140924 -0.00054476 0.00639310 +C 3.30410640 5.48891970 5.15443793 0.00642173 -0.00825357 0.00085917 0.01153131 -0.05522643 -0.00714399 -0.00365486 -0.00682044 -0.00292831 +H 5.33422414 5.43073327 4.64324743 0.01640085 0.00433138 -0.00240118 0.04040529 0.05577891 -0.00281783 -0.00893018 0.01059890 0.00224848 +C 7.46021283 6.92843876 5.71903560 -0.00233665 -0.00889261 -0.00064761 0.02781973 -0.05049995 -0.00887259 0.00734847 -0.00223476 0.00057508 +H 6.41273008 8.04728255 6.95859655 -0.00946188 -0.02148212 0.00837294 0.04246937 -0.00703448 0.09173091 0.01591008 0.00073183 -0.00056519 +O 7.65440587 5.94104118 4.99498508 0.00027047 -0.00134336 -0.00326918 -0.01376588 -0.01319477 -0.02252820 -0.00366895 -0.00324400 -0.00377637 +C 8.74575716 7.73277542 5.94962522 0.00109861 0.00511800 -0.00001623 -0.02601600 0.03345883 0.00270836 -0.00822107 0.00082895 -0.00076745 +H 9.61856751 7.09569658 6.15400408 -0.02652528 -0.00401023 -0.02640149 -0.06068326 -0.05118423 -0.10045670 0.00906527 -0.00112804 0.00085642 +H 8.95426834 8.29326467 4.99665536 -0.02274604 -0.00644449 0.02824897 -0.08744252 0.02986623 0.01478695 -0.00004819 0.02149724 -0.03136636 +H 8.65271660 8.54973363 6.72314117 -0.00945439 0.00152126 -0.01470804 -0.04792852 -0.04038265 -0.00122041 -0.00372086 0.00373419 0.03301306 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.93326026 5.69414027 5.89476671 -0.00002843 0.00372537 0.00126855 0.00827174 0.02355626 0.00293542 0.00170991 0.00318891 -0.00121399 +C 2.30012189 5.86453292 5.90157157 -0.00302067 -0.00227259 0.00124940 0.01338174 -0.00430895 0.01566790 0.00621434 0.00196501 0.00234134 +H 0.59177224 6.03377920 5.12138698 -0.00379691 0.00894003 0.00089609 -0.06191889 0.05498289 0.02431998 -0.00173742 -0.00146934 0.02488612 +C 3.09408562 5.32391941 6.93436328 0.00483504 -0.00498166 0.00203615 0.03609986 -0.01800922 0.00975987 0.00545110 -0.00073559 0.00140594 +H 2.37983651 7.34084502 4.32075236 -0.02077730 0.01312739 -0.01902398 -0.01609621 -0.09391535 -0.04722743 -0.00683998 -0.01832312 -0.01825164 +C 4.45687239 5.72922682 7.08761873 0.01040488 -0.00432833 0.00415532 0.05673998 -0.03577058 0.00954580 0.00303353 -0.00568958 -0.00205918 +H 2.58377691 4.69608556 7.63193948 0.00094412 0.00388822 -0.00562589 0.05901394 -0.05842472 0.04157685 0.02160934 -0.00958971 0.00471063 +C 5.08218432 6.62629193 6.18214502 -0.00272560 0.00659649 -0.00515862 -0.01415788 0.02725332 0.00401211 -0.00245804 0.00007749 0.00554399 +H 5.12437491 5.33996795 7.86086127 -0.00986272 -0.02353316 0.00703917 -0.11750589 -0.15550220 0.06430839 -0.00948627 -0.01411279 0.00803659 +C 4.30708018 7.22987124 5.20711395 -0.00169271 0.00034140 -0.00217435 -0.01784925 0.00176854 -0.04470268 -0.00403167 -0.00241397 -0.00751498 +N 6.40563639 6.96856094 6.46631532 -0.00253230 -0.00172027 -0.00303950 -0.03698515 -0.01049970 -0.02632236 -0.00713273 -0.00055530 -0.00225750 +C 2.98752137 6.75427985 5.03169622 -0.00524220 -0.00085178 -0.00255139 -0.06556083 0.02881906 -0.02836488 -0.00925396 0.00677221 -0.00268385 +H 4.65829578 8.02189776 4.52539518 0.04653676 0.01010564 -0.00878598 0.18483262 -0.11071296 0.07723426 0.00526254 -0.01642915 0.00377013 +C 7.38442966 7.27784902 5.61602248 -0.00777296 0.00565431 0.00203085 0.00104307 0.03787092 0.04555833 0.00736244 0.00424632 0.00813025 +H 6.68890603 6.88023159 7.42389812 -0.03847334 0.01957657 0.00095558 -0.18030400 0.09171430 0.02579698 -0.00885737 0.00589271 -0.00708932 +O 7.33084911 7.52086711 4.44777319 0.00608891 -0.00309837 0.00433393 0.02553748 -0.02061945 0.00648144 0.00127889 -0.00280499 -0.00143957 +C 8.77821786 7.35965252 6.27649414 0.00408298 -0.00370763 -0.00349879 0.00149049 -0.00016311 -0.00583441 -0.00199449 0.00265933 0.00264005 +H 9.40457347 8.14738486 5.88304969 -0.01931481 0.00418232 -0.00665944 -0.07860618 0.02320570 -0.13868539 -0.00518706 -0.00640787 -0.01985422 +H 8.69218155 7.68500034 7.29513366 -0.00017670 -0.00682176 0.00820877 -0.01949665 -0.07445657 0.02478078 -0.00265283 -0.00830795 -0.00803514 +H 9.31157758 6.42023226 6.25799119 -0.00260385 0.02678601 0.02291650 0.07409366 -0.02396233 0.07697198 0.00805103 -0.01162427 -0.00767082 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92991081 5.90408433 5.74754219 0.00029199 -0.00156868 0.00487141 -0.01170864 -0.02561293 0.02620493 -0.00404963 -0.00422178 0.00440252 +C 2.26506499 6.07958771 5.99061832 -0.01024365 -0.00573491 -0.00949334 -0.04043205 -0.01820760 -0.05989071 0.00024873 0.00305820 -0.00496446 +H 0.72948688 5.30350209 5.03202348 -0.01384811 -0.01128734 -0.01404256 -0.04143220 0.02714496 0.04991483 -0.00861302 -0.00895150 -0.00598515 +C 2.67425055 7.16771991 6.75572001 0.00005443 -0.00223949 -0.00234870 -0.00396245 -0.02764366 -0.01007082 -0.00451325 -0.00401735 0.00037001 +H 2.97346606 4.51313613 4.64059268 -0.03899606 -0.00990848 0.00565776 -0.16552314 0.00874470 0.11963661 -0.00185724 0.00036755 0.01740060 +C 4.02473880 7.55320200 6.88051382 -0.00206722 0.00139296 0.00303259 -0.00661706 -0.01016556 0.00666755 0.00153098 -0.00180781 0.00052181 +H 1.95040720 7.61202382 7.35539813 0.00865302 -0.00425233 -0.01478298 -0.05610179 0.11474254 -0.04559891 0.00516316 0.01169130 -0.01871467 +C 5.01068832 6.87165421 6.11468461 0.00703207 0.00634646 -0.00262923 0.01918107 0.02929717 -0.02806466 -0.00298715 0.00221420 -0.00439431 +H 4.24288053 8.30906971 7.55094686 -0.01485367 -0.00307721 0.01000622 -0.02686659 0.06183371 0.05619973 -0.00036646 -0.01031176 -0.02076240 +C 4.57747774 5.73791358 5.30560015 -0.00996776 -0.00029488 -0.00151574 -0.02803828 0.03635815 0.00900947 0.00128332 0.00985458 0.00449908 +N 6.32429759 7.40183438 6.12454624 0.00121857 0.00737349 0.00243059 0.01595265 0.02637874 0.00658960 0.00379585 0.00069586 -0.00020201 +C 3.24048176 5.31610926 5.30830920 -0.00185347 0.00247341 0.00491639 -0.03843347 0.00465082 0.01042639 -0.00842654 -0.00088317 -0.00198221 +H 5.28420576 5.27145396 4.58692719 -0.00329060 0.00466721 0.01632705 -0.01762816 -0.04248162 0.13958401 0.00822296 -0.02214581 0.00945826 +C 7.49595788 6.89409231 5.68452884 0.00711534 -0.00279680 -0.00113603 0.05587538 -0.00190375 0.00092042 0.00585590 0.00295457 0.00191637 +H 6.51259851 8.26259595 6.57366557 -0.02149561 0.00812815 0.01236053 -0.18761990 0.04483563 0.07639312 -0.01944995 -0.01338769 -0.00372600 +O 7.75868173 5.80332415 5.12497990 0.00803435 -0.00179025 -0.00117892 0.03835914 0.00021691 -0.00233241 0.00304992 0.00170397 0.00045875 +C 8.69181420 7.81634091 6.06728186 -0.00033522 -0.00213958 -0.00243801 0.01416942 -0.02199591 -0.02699259 0.00464370 -0.00203355 -0.00110935 +H 8.59887575 8.85829834 5.80086971 0.02342712 0.01645977 0.04023228 0.04028724 0.03132142 0.21517567 -0.01274271 -0.01718318 0.01368848 +H 8.79240821 7.72325806 7.13219749 0.01485452 -0.00575656 -0.01266806 0.14820771 -0.06550642 -0.01503577 0.01667316 -0.01560346 -0.00870120 +H 9.60740239 7.47798133 5.52162038 0.01877985 -0.00845939 0.00289282 -0.00129262 -0.02958934 0.10093208 0.00426299 -0.00547069 0.00427366 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94044666 5.78193490 5.87313715 -0.00045276 0.00134979 0.00909902 -0.00327257 0.01199527 0.06278632 0.00024175 0.00070012 0.01029477 +C 2.29656537 5.99552938 5.93203337 -0.00274785 -0.00598823 -0.00064830 -0.00266604 -0.04361676 -0.00333231 0.00302756 -0.00355061 -0.00401168 +H 0.47124902 6.33020132 5.21025616 -0.00996449 -0.01021672 0.00229918 -0.01576251 -0.10787072 0.02899595 -0.00945725 -0.00269091 -0.01734080 +C 3.03444892 5.51006769 7.06914939 0.00639419 0.00696500 -0.00497518 0.00981911 0.04273277 -0.04214701 -0.00375683 0.00351454 -0.00511302 +H 2.51901172 7.08380163 4.01453016 0.01969106 0.01301427 -0.00462169 0.02016277 -0.03162929 -0.04210827 -0.02019535 -0.01323963 -0.01684063 +C 4.40383589 5.75733544 7.17537153 0.00060028 -0.00316738 -0.00051996 0.00724114 -0.02593943 0.01579032 0.00044661 -0.00439692 0.00489007 +H 2.55138615 4.99138306 7.87042964 -0.01425302 0.00026069 -0.00807025 -0.06028993 0.02950777 -0.10187224 0.00069333 0.00939521 -0.01711568 +C 5.09167717 6.52770652 6.20905345 -0.00630763 -0.00733904 0.00614416 0.00005488 -0.04531815 0.01413578 0.00512030 -0.00447811 -0.00457102 +H 4.91259781 5.37111989 8.02499080 -0.02047946 -0.02575785 0.02775061 -0.12913895 -0.06662749 0.06414085 -0.00909978 0.00867008 -0.01096018 +C 4.41070474 6.87475934 5.00225387 -0.00510673 0.00089322 -0.00650831 -0.04164456 0.00274261 -0.01913743 -0.00307278 0.00070549 0.00239914 +N 6.49235387 6.75710810 6.48643163 0.00351669 -0.00069169 0.00123127 -0.02076421 -0.01292329 0.00119645 -0.00999363 -0.00292610 -0.00083234 +C 2.99391261 6.60924114 4.89025068 -0.00270981 0.00063908 -0.00643185 0.00374647 0.02178835 -0.03847522 0.00126830 0.00287568 -0.00189658 +H 4.88374238 7.36138908 4.19062398 -0.00228602 0.02640274 -0.00958884 -0.04633143 0.12274934 0.03009505 -0.01441033 -0.00097534 0.02463622 +C 7.44309329 7.28702795 5.68454284 -0.00649571 0.00273331 0.00207110 -0.05535767 0.03338723 -0.01519732 -0.00488386 0.00572991 -0.00320162 +H 6.79153527 6.49021194 7.40475570 -0.03021355 -0.00735143 0.00987155 -0.09509995 -0.02929851 0.02631734 0.00850822 0.00246794 -0.00887195 +O 7.16822342 7.74574385 4.54188432 0.01301939 0.00165153 -0.00382436 0.09224903 0.00173344 -0.01033161 0.01179983 -0.00071971 -0.00043738 +C 8.81169042 7.45846927 6.20570198 0.00456464 0.00075463 0.00102733 0.01715833 0.00532116 0.00986462 -0.00160794 0.00398452 0.00380246 +H 9.04362069 6.77629837 6.99643639 -0.01229998 0.02493616 0.01636621 0.01092091 0.04989916 0.10739892 0.01293958 -0.00181650 -0.00471857 +H 9.54759175 7.45295121 5.39878959 -0.02569161 0.01107512 -0.01068976 -0.05018996 -0.01239179 -0.07212263 0.01213526 -0.01501831 0.00055695 +H 8.83543864 8.41775547 6.59598453 -0.01212110 -0.01665576 -0.00688380 -0.02339299 0.11341500 0.04532913 0.00784364 0.00193489 -0.00245891 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04803512 5.78997659 5.66157245 0.00073637 0.00365231 0.00227966 -0.00732242 0.02577003 0.01694117 -0.00386227 0.00346489 0.00235853 +C 2.32883555 6.15892946 5.86722069 -0.00360226 0.00197142 -0.00105692 -0.00940638 -0.02236508 -0.01753884 0.00366952 -0.00767929 -0.00350995 +H 1.01916011 4.96903065 5.14429654 -0.02542505 0.02514431 -0.00010665 -0.19357565 0.09127874 -0.04006178 -0.02255397 0.00209558 -0.00953363 +C 2.58322460 7.43257941 6.25897862 -0.00287792 0.00053877 -0.00011995 0.00508977 0.03031834 -0.00273370 0.00410626 0.00723914 -0.00144433 +H 3.07007599 4.21656024 5.41112088 0.01606025 -0.02045491 0.00596662 0.17711167 -0.06317612 -0.02606373 0.02320545 -0.00840359 -0.01575907 +C 3.91247012 7.83758112 6.37774930 0.00649899 0.00803548 0.00623063 0.03746636 0.02702907 0.03881519 0.00291378 0.00210349 0.00563868 +H 1.78638341 8.14720641 6.37910539 0.00563791 -0.00544692 -0.02807016 -0.04124919 0.02599142 -0.11541412 -0.00574712 0.00692770 -0.00067219 +C 4.98831583 6.92196810 6.15267437 -0.00829023 -0.00639182 0.00093313 -0.04989038 -0.01730994 0.00475339 -0.00206181 0.00130438 0.00017504 +H 4.06413319 8.86511301 6.57532025 0.02448461 -0.02181848 0.01032724 0.21392337 0.05101332 0.12647306 0.01962020 -0.00010463 0.01383973 +C 4.69507227 5.62561737 5.79643476 0.00377423 -0.00415139 -0.00137160 0.01644206 -0.04302378 -0.01696052 0.00036966 -0.00736288 -0.00349569 +N 6.26703321 7.38196939 6.17458155 -0.00661444 0.00325087 -0.00529752 -0.01359038 0.01658019 -0.03178021 0.00152378 0.00145216 -0.00310007 +C 3.36092851 5.24610033 5.62652485 0.00913075 -0.00823611 -0.00328093 0.03350691 -0.06138055 -0.00972185 -0.00057035 -0.00698053 0.00095464 +H 5.50352720 4.92938295 5.62509333 -0.00073271 0.01025641 -0.01511289 -0.00141190 -0.05011094 -0.10539381 0.00022660 -0.01930201 -0.01129470 +C 7.48541522 6.83088531 5.83299818 0.00500829 -0.00203047 0.00596086 -0.01675078 -0.01355571 0.04505958 -0.00821682 -0.00122090 0.00513511 +H 6.27546238 8.31364656 6.54399435 -0.00695782 -0.00128045 -0.00835407 0.03736204 0.05174013 -0.08646082 0.01369286 0.00579490 -0.01939031 +O 7.69193524 5.68162430 5.45689720 -0.00305959 -0.00202654 0.00010808 -0.02564220 -0.01506207 0.00388228 -0.00418599 -0.00182458 0.00143048 +C 8.63608823 7.72350053 5.89219649 0.00040580 0.00250665 -0.00293560 0.02013293 0.04212877 -0.02037183 0.00744431 0.00715892 0.00301203 +H 9.17789446 7.79423756 6.72550235 -0.01195782 0.02348141 0.00749135 -0.06826593 0.05820558 0.20229489 -0.03446591 -0.00905906 -0.01701810 +H 9.32057587 7.27675344 5.16196837 -0.00517130 0.01140063 0.00885770 0.08565782 0.13965586 -0.02812821 0.02502424 0.02223347 -0.00928417 +H 8.34886751 8.77895405 5.63824437 0.01312417 0.00017562 0.00276798 0.06650923 -0.01194804 -0.06996548 -0.00364401 0.01839710 -0.02498999 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.06026880 5.63835933 6.02660162 -0.00718380 -0.00218015 0.00548133 -0.05108028 -0.00384420 0.04171209 -0.00720257 0.00002170 0.00522575 +C 2.32723920 6.10531877 5.89329309 -0.00269052 0.00048708 -0.00729662 -0.03495970 -0.00040525 -0.03844879 -0.00538376 0.00058690 -0.00284326 +H 0.75894474 4.86673273 5.54634648 -0.02082163 0.02943390 0.00857330 -0.09698244 0.05892862 -0.05935634 -0.00007058 0.00547503 -0.01122590 +C 2.59017875 7.34791959 6.43642228 0.00430531 0.00158833 -0.00211519 0.02890077 0.02356610 -0.01271383 -0.00121298 0.00224045 -0.00229386 +H 3.13051647 4.27171851 4.97387529 -0.01220045 -0.00645573 0.00389864 -0.03207307 0.10312017 0.03012663 -0.00152343 -0.01131725 -0.01234439 +C 3.93789210 7.78292772 6.51305423 -0.00862354 -0.00693641 0.00193234 -0.01989141 -0.02885064 0.01110294 0.00669566 -0.00309938 -0.00114522 +H 1.91776466 8.06974039 6.83695736 -0.00937031 0.00528904 -0.01442313 -0.12962281 -0.10263356 -0.05340944 -0.00979765 -0.03084316 -0.00141210 +C 4.96023294 7.07745735 5.87564921 0.00293148 -0.00587813 -0.00476310 0.02498968 -0.04525111 -0.02689729 0.00453236 -0.00225016 0.00012531 +H 4.19147261 8.68409860 7.08019261 0.01744760 0.00593559 0.00667816 -0.00475122 -0.04873161 -0.07237283 -0.01382230 0.00166292 -0.01094226 +C 4.64558533 5.81093666 5.27038364 0.00435993 0.00281300 0.00123872 0.01812468 0.02401099 0.00482930 0.00271044 -0.00124635 -0.00314484 +N 6.26978628 7.54441126 5.88593815 0.00517269 -0.00002296 0.00297534 0.07028152 -0.00618039 0.02974851 0.01016964 -0.00265001 0.00461124 +C 3.33710652 5.31653605 5.35229573 0.00397996 0.00252812 0.00024376 0.02029991 -0.00118526 -0.00703457 0.00090452 0.00182030 -0.00049410 +H 5.35038332 5.26539636 4.74178189 -0.00796584 0.00638654 -0.00244053 0.06013656 -0.04420179 -0.01905304 -0.00177747 0.00433039 0.01703077 +C 7.48786630 6.83024902 5.88542119 0.00547262 0.00762378 -0.00421448 0.01148620 0.02482942 -0.04200825 -0.00095325 -0.00148592 -0.00621514 +H 6.45974988 8.52998940 6.06866355 0.00460663 0.00462409 0.01107024 -0.06894637 -0.02193464 0.07863519 -0.01303026 0.00264698 0.01418275 +O 7.55706181 5.59154814 5.59146302 0.00074436 0.00083305 0.00246034 0.00874064 0.04045490 0.02760776 0.00173713 0.00977158 0.00484397 +C 8.81627860 7.64209801 6.17736642 -0.00546810 -0.00340438 0.00055767 -0.04326590 -0.03238624 -0.00143814 -0.00671833 -0.00266311 -0.00377885 +H 9.60967084 6.96436572 6.58680834 0.02480740 -0.00138089 0.01407026 -0.01756584 0.11074112 -0.04660334 -0.00627473 0.00607284 -0.01924844 +H 9.15017670 8.15368987 5.31934707 -0.02672023 0.00680254 -0.02465711 -0.14373861 -0.03724173 -0.08334502 -0.01542007 -0.02246803 0.02038315 +H 8.57210451 8.44000371 6.90949951 0.00969858 -0.01489081 0.00162188 0.06120486 -0.08819450 0.05355833 0.00030069 -0.00152152 0.01548309 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97416598 5.79097910 6.02723691 -0.00525290 -0.00000591 0.00732470 -0.02259419 0.00539121 0.04638592 -0.00096910 0.00103349 0.00623242 +C 2.34683262 5.98476243 6.00372826 -0.00532251 0.00254608 -0.00746678 -0.05294153 0.00548070 -0.04656990 -0.00661304 -0.00093532 -0.00488013 +H 0.50425014 6.31037891 5.33923786 0.02468919 -0.00219212 -0.00654795 0.11643309 -0.04650571 -0.03324689 -0.00827406 -0.00025959 -0.01805747 +C 3.13643422 5.46858734 7.00872765 0.00128030 0.00198818 -0.00464427 -0.00530412 0.00226458 -0.01432573 -0.00252856 -0.00029898 -0.00137740 +H 2.25758920 7.13038216 4.18599655 0.01878033 0.00626321 -0.01164307 0.11048295 0.01264882 -0.11035669 -0.00392123 0.00646868 -0.03659475 +C 4.50536257 5.68005451 7.05123318 0.00229869 -0.00063852 -0.00068042 0.02411661 -0.00091951 -0.02748766 0.00377698 0.00064663 -0.00663542 +H 2.66999825 4.89037892 7.79874333 -0.00220471 -0.00878751 -0.00119206 0.00776714 0.00505360 -0.03541521 -0.00011791 0.00483470 0.00094628 +C 5.11881778 6.36751516 5.93845915 0.00681758 -0.00250205 0.00471091 0.01003906 -0.00687861 0.02488809 -0.00257999 0.00073728 0.00207642 +H 4.98906890 5.22389657 7.91811829 0.03113999 0.01855883 -0.00248461 0.20872487 0.15645445 -0.10355736 0.01898631 0.01445941 -0.01607642 +C 4.30305687 6.93876431 4.87320626 -0.00571361 0.00405146 0.00359168 -0.01296622 0.00213143 0.06357396 0.00338754 -0.00338604 0.01253022 +N 6.46941158 6.45270799 6.07118825 0.00472135 -0.00307787 0.00206974 0.05897781 -0.03591629 0.02969231 0.00956392 -0.00549521 0.00462439 +C 2.92277070 6.67635342 4.95730501 -0.00123535 0.00016747 -0.00920878 -0.01367677 0.02211151 -0.07503094 -0.00215319 0.00418333 -0.00859894 +H 4.63579771 7.60578846 4.06773727 0.00212995 -0.02046819 0.00761587 0.12351392 -0.14303996 0.02251643 0.02609584 -0.01549616 0.00202399 +C 7.41293957 7.31418442 5.66114044 0.00062554 -0.00376943 0.00382622 -0.00030593 0.00125963 0.03083479 -0.00083026 0.00440887 0.00370873 +H 6.80950434 5.77863717 6.75450684 0.01962716 -0.00593970 0.01807541 0.09868476 0.05681899 0.03018840 0.01626007 0.00101147 0.01047227 +O 7.19561850 8.22902522 4.89554304 -0.00130210 -0.00282011 0.00296799 -0.01420988 -0.01905883 0.00893662 -0.00292581 -0.00269520 -0.00030098 +C 8.72912049 7.38170814 6.45694116 -0.00122001 0.00432280 -0.00416687 -0.02137253 0.03021982 -0.03406972 -0.00231379 0.00182159 -0.00467992 +H 8.97169822 6.42935182 6.86539836 0.00261374 0.01572651 -0.04393942 0.05577794 -0.06621550 -0.14439484 0.00497994 -0.00364832 -0.00552059 +H 9.56977779 7.67119383 5.83521871 -0.00696465 0.00750701 0.01476137 -0.00372367 0.13068699 -0.00449158 -0.00564894 0.02762760 -0.01027975 +H 8.60801369 8.13361055 7.23912772 -0.02195310 0.00348405 0.00050364 -0.09022382 -0.05322193 0.01972846 -0.00201830 -0.01778579 0.00829749 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96610928 5.81193189 5.84240962 -0.01016230 0.00048424 -0.00246330 -0.05505600 0.00416061 -0.01022373 -0.00432138 -0.00101701 -0.00288618 +C 2.30129463 6.07144634 5.89820078 0.00193873 0.00348060 0.00012478 -0.00566841 0.02389751 0.00381384 -0.00582915 0.00197996 0.00146051 +H 0.60878303 5.28618279 5.15664413 0.02018763 -0.00410466 0.01507503 0.13749512 -0.15263787 -0.00414828 0.02358838 -0.00955264 0.01847929 +C 2.65497251 7.42132778 5.93473968 -0.00375301 -0.00634146 0.00580592 -0.01948714 0.00401949 0.02110824 -0.00049843 0.00642175 0.00011485 +H 3.06358338 4.09404832 5.82374531 -0.01673493 -0.01136564 -0.02357828 0.01393084 0.03580715 -0.10120440 0.01785012 0.01387175 -0.00427460 +C 3.97257244 7.93440809 5.98610507 -0.00129225 -0.00069531 -0.00365316 -0.03370481 -0.01565383 -0.01237628 -0.00345626 -0.00392462 0.00084765 +H 1.86740463 8.19180443 5.76930245 0.02137639 0.00260234 -0.03126240 0.05052695 -0.02849560 -0.06133947 -0.02803016 0.00827205 0.01127982 +C 4.97516986 7.02250915 5.97471017 0.00639938 0.00162585 0.00658935 0.04651918 -0.06692951 0.03504972 0.00331063 -0.01372371 0.00355488 +H 4.07224174 8.98239919 6.06951422 0.00316259 -0.00499644 0.00378579 0.08048798 0.01929619 -0.03172279 0.00916457 -0.01325147 -0.01519522 +C 4.65399844 5.58695624 5.87121486 -0.00032908 -0.00161679 0.00134176 0.01914118 0.01815590 0.01686516 0.00539775 0.00207310 0.00259471 +N 6.29403430 7.40108450 6.08642674 0.00070854 0.00327482 0.00104832 0.01890011 0.02238778 0.00425935 0.00526497 0.00505617 0.00031239 +C 3.33308329 5.12811634 5.88937034 0.00352499 0.00402417 0.00159855 -0.00268261 0.01336096 -0.00173142 -0.00339455 0.00132084 -0.00218986 +H 5.43486791 4.85849003 5.85829346 -0.00769966 -0.00498282 -0.02436824 -0.02268386 -0.03835431 -0.14564079 -0.00459665 0.00569296 -0.01114230 +C 7.51330266 6.80196230 5.91844680 -0.00280015 -0.00179036 -0.00155664 -0.02667929 -0.00088671 -0.02388083 -0.00250772 0.00179313 -0.00490671 +H 6.27057636 8.37005809 6.23228318 0.01578775 -0.01282007 -0.01514407 0.20478361 0.07959320 -0.01049117 0.02572293 -0.00731872 0.00623457 +O 7.68142064 5.69976493 5.36789099 0.00634583 -0.00144746 -0.00019418 0.04029294 -0.00310281 0.00981722 0.00455369 0.00043191 0.00285931 +C 8.70004767 7.70919599 6.25788015 -0.00321724 0.00240139 -0.00314206 -0.02261960 0.00159331 -0.01092132 -0.00398007 -0.00284162 -0.00100651 +H 9.33521834 7.79760847 5.33429410 -0.00568993 0.00179234 0.02658544 0.02471063 0.04037471 0.06580990 0.01754635 0.00806777 -0.02075921 +H 8.34034273 8.73231597 6.56280187 0.00436690 -0.00375489 -0.00715212 0.05803890 -0.02266844 -0.03097125 0.00235554 0.01708565 0.00604168 +H 9.33164236 7.27911441 7.05961583 0.01035533 -0.00555373 -0.00103143 -0.03723861 0.00662111 -0.06579852 -0.00988042 -0.00160814 -0.00017322 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04821781 5.74632825 5.89598431 0.00030519 0.00419468 -0.00540768 -0.02051767 0.02452233 -0.02401080 -0.00523805 0.00371757 -0.00460725 +C 2.33272397 5.98736478 6.00486227 -0.00010687 0.00401782 -0.00099278 0.03883896 0.03563972 -0.01577612 0.00641142 0.00351838 0.00004442 +H 0.59980065 5.74923882 5.08121153 0.01478499 0.02597828 0.01070846 0.09586951 0.21837934 -0.10555294 0.02537140 0.02828858 0.00554105 +C 3.01302164 5.62034240 7.16484005 -0.00288484 -0.00202654 0.00766933 -0.01426816 -0.00129508 0.01811320 0.00099038 0.00212021 -0.00475544 +H 2.47406935 7.06544415 4.09251914 -0.03475219 -0.00819502 0.02164840 -0.12383640 -0.10918715 0.11600896 -0.00288750 -0.01336086 -0.00816106 +C 4.40388104 5.84515208 7.16937310 0.00311440 -0.00544807 -0.00580959 0.00668154 -0.03838817 -0.02642741 -0.00130973 -0.00624981 0.00226862 +H 2.36047752 5.24883797 7.98497490 -0.00659067 -0.00676852 -0.01717601 0.07517542 -0.10905213 0.00558854 0.01714332 -0.02366172 0.02382587 +C 5.07975799 6.41168179 6.06329236 0.00529590 0.00264692 0.00640597 0.03778052 0.02513120 0.04638922 0.00272615 0.00390475 0.00480242 +H 5.02897671 5.68602462 8.01515291 -0.02055727 0.00100127 -0.00690890 -0.12635397 -0.12166734 0.09309266 -0.01759102 -0.02858818 0.00632351 +C 4.41092889 6.91297136 4.93400483 0.00040720 -0.00349164 0.00229866 0.00526244 -0.04073228 0.03741152 0.00006579 -0.00784995 0.00807036 +N 6.42927540 6.63495904 6.35075674 -0.00438396 0.00177736 -0.00608207 -0.01364775 0.02053274 -0.02772315 0.00142743 0.00382215 0.00018915 +C 3.04659271 6.65793231 4.93207408 0.00430880 -0.00760079 0.00184320 -0.01432610 -0.04792596 0.00692389 -0.00544670 -0.00534553 0.00019125 +H 4.92050565 7.47310753 4.13541392 -0.00291516 -0.00607772 0.01452680 -0.04006194 -0.03512862 0.03366333 -0.00298615 -0.00073129 -0.00963302 +C 7.38012398 7.25638021 5.63566174 -0.00475325 0.00058427 0.00288064 -0.02999125 0.01902747 0.02025822 -0.00163555 0.00603560 0.00031863 +H 6.71143037 6.51369513 7.28672895 0.00743858 0.02376979 0.01243715 -0.01396058 0.05041401 -0.03038757 -0.01045844 -0.01058715 -0.01884636 +O 7.22594634 7.80218171 4.57779651 -0.00142242 0.00032248 -0.00198731 -0.01445815 0.00084545 -0.02701121 -0.00264231 -0.00049250 -0.00457765 +C 8.68997725 7.45516698 6.31932805 -0.00060598 0.00183777 0.00091214 0.03829558 -0.00712746 0.00220878 0.00953277 -0.00297305 -0.00065096 +H 9.26466945 6.53984900 6.28206318 0.03377911 -0.00798523 0.00171196 0.04882406 0.02631806 0.03102127 -0.01426034 0.00619456 0.00492293 +H 9.33976997 8.09723840 5.74942580 0.01907370 0.00195389 -0.01448995 -0.01101921 0.04113025 0.00306050 -0.02093915 0.00787799 0.01496884 +H 8.64441384 7.75660212 7.37653760 0.01148826 -0.00710739 -0.00177769 0.02661869 0.01418847 -0.01313930 -0.00320942 0.01176367 0.00160843 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00635687 5.63224562 5.78554240 -0.00328589 0.00158807 0.00363559 0.00021263 0.02842934 0.01583782 0.00485120 0.00556889 0.00306868 +C 2.33251524 6.01111547 5.97174695 0.00891416 -0.00073121 0.00184979 0.02621821 -0.01905729 -0.01035110 -0.00350617 -0.00410465 -0.00623798 +H 0.65993079 5.93752074 4.94181375 0.01048767 0.02280680 -0.01776418 0.08745708 0.07324068 0.05188107 -0.00325873 0.01312869 -0.00713249 +C 3.00602822 5.62648693 7.15287390 -0.00736660 -0.00474566 -0.00270348 -0.06201873 -0.02086046 -0.02551576 -0.00834073 -0.00197614 -0.00292270 +H 2.67403982 6.89363484 3.97324036 0.00195018 -0.03513031 -0.01265478 -0.07496007 -0.22089544 -0.04772357 -0.01049073 -0.01959992 0.01086072 +C 4.37208743 5.83265179 7.20753594 -0.00672165 -0.00001288 -0.00260627 -0.03409727 0.00600346 0.00040391 -0.00259113 0.00054346 0.00471227 +H 2.44829169 5.28434937 7.99529656 -0.03421315 -0.00983424 -0.01459342 -0.14072385 -0.14399007 -0.12131667 0.00261891 -0.02327023 -0.02237101 +C 5.08788409 6.51740126 6.18186623 0.00529441 -0.00374193 0.00495160 0.02458353 -0.03058155 0.03535480 0.00162895 -0.00356212 0.00358894 +H 4.79605208 5.53449164 8.12897636 -0.00616252 0.00495990 -0.00130448 0.05089646 0.01508519 -0.00336565 0.00719343 0.00154137 -0.01150263 +C 4.41225721 6.93592515 5.01590062 0.00203895 0.00097165 0.00308700 0.02289969 -0.00721563 0.03271977 0.00424655 -0.00193218 0.00428893 +N 6.44561354 6.60015797 6.37410409 0.00518684 0.00648987 0.00182287 0.03736427 0.02942640 0.01704266 0.00239930 0.00149858 0.00363081 +C 3.07346955 6.61536572 4.91810546 0.00552252 -0.00042099 -0.00185193 0.01233791 -0.00719990 -0.01742139 -0.00236445 -0.00279883 -0.00316633 +H 4.90468443 7.32583712 4.15786716 -0.02301218 0.00542825 -0.00202269 -0.04879613 0.09829301 0.00068486 0.00724280 0.01057544 0.01962788 +C 7.34756306 7.32787541 5.68574346 -0.00755219 -0.00102915 0.00813072 -0.00984573 0.00699306 0.05174270 0.00559465 0.00647941 0.00215264 +H 6.88139235 5.90949960 7.00623476 0.00492655 -0.00519381 -0.00856185 -0.00200171 0.04429106 -0.00711647 0.00870448 0.00138493 0.02226847 +O 7.12999023 8.07741512 4.80013085 0.00561490 0.00009086 -0.00234502 0.01710400 0.01142686 -0.02898716 -0.00081385 0.00184377 -0.00408981 +C 8.82806736 7.24028004 6.03885189 -0.00637704 0.00303012 -0.00463692 -0.02926090 -0.00415174 -0.02864588 -0.00004642 -0.00630302 -0.00341062 +H 9.39731093 7.24748255 5.12630745 -0.01772501 -0.00083002 -0.01627098 -0.12228011 0.06296658 -0.10671829 -0.02091221 0.01365832 -0.00383089 +H 9.16758745 8.03835177 6.70819768 0.01576083 -0.00086055 -0.02423348 0.06683604 0.05062855 -0.15043940 0.00113136 0.00940806 -0.01459524 +H 9.15141019 6.35975875 6.47198456 0.01338804 -0.01857871 -0.02253030 -0.02443628 -0.11469617 -0.10021870 -0.02555942 0.01739301 -0.01571638 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99704651 5.66836156 5.98146501 -0.00081177 0.00486291 -0.00458740 -0.01548539 0.03214321 -0.03862890 -0.00402108 0.00511624 -0.00804394 +C 2.29304627 5.98341137 5.94803593 -0.00076090 -0.00060453 0.00284791 0.01487584 -0.00388267 0.01861836 0.00362938 -0.00048436 0.00157526 +H 0.56841035 6.02503736 5.25875648 0.01749783 -0.00350666 -0.00810832 0.02525927 0.00315616 -0.11984559 0.00728444 -0.01022440 0.00678809 +C 3.05784997 5.46299016 6.97831116 0.00605684 -0.00104926 -0.00338965 0.05239381 -0.00697875 -0.00423878 0.00765640 -0.00222954 0.00416381 +H 2.44467956 6.99660695 4.05110025 0.00399361 0.01686415 -0.01251634 -0.02963914 0.17214064 0.04657838 -0.01216387 0.02305501 0.02912177 +C 4.44113262 5.75037790 7.06901442 0.00660904 0.00691708 0.00907856 0.03611801 0.03936083 0.04686559 0.00260862 0.00215015 0.00475863 +H 2.54429374 4.87411169 7.68345167 0.00561468 -0.00796186 -0.01051787 0.08263779 -0.08285435 0.01516298 0.02599406 -0.00144631 -0.00143249 +C 5.10507142 6.53335850 6.08315482 -0.00118832 -0.01334512 -0.00322601 -0.00638863 -0.07808720 0.01115982 0.00023183 -0.00587908 0.00413916 +H 5.03736016 5.40105654 7.91906527 0.00916312 0.00136126 -0.01897673 0.05367304 -0.07406948 -0.01881534 0.00528689 -0.01682550 0.01497129 +C 4.24963337 7.11050229 5.10697725 -0.00558703 0.00147669 0.00347749 0.01605344 -0.00266167 0.02062438 0.00997113 -0.00216197 -0.00015642 +N 6.49440728 6.73032698 6.36686738 -0.00081909 0.00185331 -0.00216863 -0.03274657 0.00217827 -0.03187039 -0.00932779 -0.00223575 -0.00548697 +C 2.92987927 6.76339327 4.96783767 -0.00074232 -0.00082639 0.00145831 -0.03207983 -0.00750045 -0.00295812 -0.00572531 0.00049840 -0.00194882 +H 4.67203118 7.73678931 4.39490767 0.01366172 -0.02604663 0.01050955 0.12619597 -0.04819071 -0.06472898 -0.00043912 -0.00687650 0.00214583 +C 7.47771731 7.26508205 5.62001401 -0.00627835 -0.00053455 0.00739528 -0.06400192 0.01567608 0.02090546 -0.00864647 0.00598453 -0.00312246 +H 6.86741841 6.30806207 7.22649073 -0.00029785 0.00568227 -0.01567754 -0.04091053 0.03540697 -0.02423915 -0.00797057 0.00251376 0.01280991 +O 7.27573251 7.73379804 4.47944036 -0.00114658 -0.00062556 -0.00283536 0.00278026 -0.01330208 0.00128274 0.00147108 -0.00318713 0.00328618 +C 8.74853531 7.39516196 6.41362332 0.00174316 -0.00006603 -0.00153693 -0.00200215 0.02042733 -0.01154578 -0.00182530 0.00571398 -0.00025910 +H 9.38028171 8.05891549 5.84303316 0.00935630 0.00159245 0.00226189 0.14262568 -0.05947425 0.04178439 0.01500507 -0.01523640 0.01105018 +H 8.47996458 7.91483053 7.29084655 -0.01427223 -0.00806362 0.01438010 -0.01007800 -0.02813815 0.06607305 0.01861182 -0.00827003 -0.01334252 +H 9.11441253 6.41442361 6.75257119 -0.00049071 0.02277812 -0.00530702 0.12856905 0.03447160 -0.09113309 0.02434483 -0.00904351 -0.01937989 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04843824 5.76059388 5.69706207 -0.00045398 -0.00245490 -0.00429951 -0.00382110 -0.02273411 -0.03375951 -0.00034763 -0.00158946 -0.00318038 +C 2.34814051 6.10270706 5.89932999 0.00044662 0.00188784 0.00383215 -0.01055355 -0.00264664 0.01795869 -0.00205587 -0.00263231 0.00114373 +H 0.96565105 5.03317137 5.07382863 0.00254487 -0.00932638 -0.03061579 0.01547063 0.06986326 -0.07040445 -0.00080009 -0.00476757 -0.02111971 +C 2.66437009 7.33482170 6.46479496 0.00542947 0.00360077 0.00189511 0.03909483 0.02703420 0.00721207 -0.00094044 0.00515066 0.00181947 +H 3.08975713 4.17928668 5.25870055 0.03017628 0.00024887 -0.01764955 0.15198337 0.02231987 -0.18534540 0.00658719 0.01305836 -0.02238943 +C 4.00026646 7.82879583 6.48635447 -0.00122165 0.00655277 -0.00015489 -0.01446576 0.02355010 -0.00669004 -0.00081283 0.00310277 -0.00012318 +H 1.87377259 7.91678181 6.77893080 0.02441254 -0.01990283 0.00804780 -0.01373210 0.07661575 0.12905609 0.01374640 0.00992080 0.00667132 +C 5.02759201 6.99083682 6.03915882 -0.00279983 0.00377850 0.00069274 -0.03090291 0.00279094 0.01303347 -0.00408725 -0.00358184 0.00209413 +H 4.23947372 8.81589913 6.80319886 -0.00655113 -0.02302229 0.00916506 -0.04771307 0.04457365 0.13469820 -0.00980342 0.00680143 0.01303011 +C 4.67737629 5.65011338 5.71593290 -0.01190292 -0.00666189 0.00288180 -0.06267988 -0.03349488 -0.00729076 -0.00189334 0.00067139 -0.00256518 +N 6.30245734 7.49539994 6.07945300 0.00538255 0.00309617 -0.00133365 0.03952320 0.01241185 -0.01321325 0.00309647 0.00236568 -0.00113983 +C 3.32448259 5.20335624 5.50927085 -0.00019345 -0.00436522 0.00217920 0.01812596 -0.01584355 0.03728663 0.00202027 -0.00139925 0.00649115 +H 5.39947917 4.94771424 5.30965275 0.00526890 0.00588110 0.01595419 0.00590080 -0.02058592 0.18525308 -0.00349355 -0.01782878 0.02632526 +C 7.46871229 6.87611079 5.81819498 0.00274894 0.00527218 -0.00528094 -0.02484385 0.01002727 -0.04915952 -0.00667733 -0.00328996 -0.00879268 +H 6.37953462 8.48111358 6.22235575 0.03051284 -0.02536352 0.01707417 0.16935258 -0.00714081 0.19867601 0.00709894 -0.00711584 0.02745352 +O 7.50512309 5.75395881 5.38350972 -0.00064321 -0.00260626 0.00044745 0.00885827 -0.02609845 0.00084554 0.00268790 -0.00414505 -0.00020087 +C 8.66696687 7.63315326 5.99849273 -0.00287070 -0.00085343 0.00045591 0.00945753 0.01905113 0.00361297 0.00273212 0.00546949 0.00270654 +H 8.59014636 7.99749535 7.02387506 -0.00746298 -0.00633356 -0.01904755 0.03979199 0.02828081 0.01963235 0.01866178 0.00715490 0.01855523 +H 9.62200100 7.04184502 5.88849605 -0.01359156 0.00026467 -0.00223469 -0.08797231 -0.01699531 -0.02712720 0.01274636 -0.01615107 -0.00804962 +H 8.65761276 8.49115952 5.26728647 0.00079780 0.00509937 0.02151375 0.05249528 0.04261420 0.13136452 0.01467118 0.02547602 -0.00402480 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01091599 5.61923227 5.77632964 -0.00454266 -0.00222399 0.00726262 -0.01522377 -0.00556242 0.05182919 -0.00055598 0.00133679 0.00643298 +C 2.32858103 6.01033561 5.94392462 0.00386424 -0.00093916 -0.00262410 -0.00985436 -0.02761669 0.01474260 -0.00468678 -0.00405582 0.00336616 +H 0.58225150 6.12427564 5.14933910 0.00416732 0.00519440 0.00218801 -0.00373919 0.00064180 0.01925983 0.00422091 -0.01759134 0.01906267 +C 3.04700140 5.53655558 7.07798656 -0.00087840 -0.00215617 -0.00335620 0.01933656 -0.02320945 -0.03055626 0.00596557 -0.00551900 -0.00312210 +H 2.32652848 7.05433105 4.20351203 -0.00793248 -0.01738068 -0.01394916 0.04205972 0.03821846 -0.11856993 0.03139236 0.02239281 0.00334356 +C 4.44728798 5.71845118 7.17297581 0.00909698 0.00150454 0.00573399 0.04039870 0.01577243 0.03895415 0.00025043 0.00362055 0.00281456 +H 2.61119796 4.89158820 7.81391748 -0.01244846 0.00343573 -0.02132530 -0.14748304 -0.00936878 -0.08887262 -0.01184086 0.00258101 -0.00961753 +C 5.08589319 6.55431387 6.22250354 0.00519912 -0.00638432 -0.00023253 0.02291015 -0.05253335 -0.01586702 -0.00161564 -0.00697888 -0.00575692 +H 4.97934167 5.19584873 7.99731375 0.02037280 0.00484704 0.01077654 0.08672585 0.13442919 0.00431183 0.01296755 0.01790864 0.01267780 +C 4.33191299 6.98958966 5.12774305 0.00410639 0.00252744 -0.00151234 0.00788047 0.03392968 -0.01093051 0.00122749 0.00736061 -0.00275429 +N 6.46244611 6.76644563 6.35352305 -0.00963657 0.00468602 -0.00658198 -0.05414311 0.02343333 -0.03315462 -0.00432510 0.00093387 -0.00107861 +C 2.91734364 6.80172587 5.02850173 -0.00186644 0.00781346 -0.00330112 0.01892863 0.04027558 -0.03825198 0.00424792 0.00202555 -0.00708623 +H 4.77330436 7.57497871 4.38038907 0.01483195 -0.01093267 0.01186143 0.13934643 -0.00884120 -0.05270544 0.00097302 -0.00683985 -0.00281651 +C 7.44013323 7.29310798 5.57389801 -0.00369874 -0.00400667 0.00149798 -0.04273469 -0.01622711 0.02508958 -0.00701119 0.00103532 0.00193172 +H 6.76849921 6.47255205 7.26765938 -0.01773453 -0.00337845 -0.01576427 -0.02721852 -0.03561898 -0.05967400 0.00729531 -0.00394237 -0.00370186 +O 7.21044753 7.79002531 4.47841092 0.00262366 0.00335622 -0.00419201 0.03160353 0.01762284 -0.02187033 0.00634409 0.00085352 -0.00048570 +C 8.79139882 7.34323531 6.34296966 -0.00107206 -0.00620278 0.00465920 -0.02960721 -0.03509357 0.01388791 -0.00578898 -0.00100767 0.00146965 +H 9.48600425 7.78711043 5.66859146 -0.01760346 0.00887670 0.00709203 0.01420739 0.03082030 0.02345015 0.00585698 -0.01143366 0.01280299 +H 8.75646637 7.93006268 7.21262356 -0.00095653 0.00072900 0.01106463 -0.04975498 0.01125732 0.05266032 -0.01439062 -0.00917458 -0.02145927 +H 9.05237776 6.28666451 6.56768033 0.00590028 0.01898488 0.04047542 0.11343640 0.09238699 0.24027259 0.02006605 0.00029322 0.01917960 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01966745 5.61663806 6.01694093 -0.00000649 -0.00158985 0.00023712 -0.01142993 -0.02283529 -0.00650473 -0.00272481 -0.00320655 -0.00128698 +C 2.28999887 6.08158246 5.90780995 -0.01165175 -0.00263465 -0.00735274 -0.03365749 0.02328578 -0.03525807 0.00114597 0.00899570 -0.00201762 +H 0.85515732 4.79585437 5.58109578 0.01534418 -0.01600743 -0.02810260 0.11599024 0.04596101 -0.08366854 0.00948700 -0.00019550 -0.01175279 +C 2.66253530 7.41104691 6.38246972 -0.00249825 0.00086126 -0.00104412 -0.03922599 -0.02943703 -0.02199563 -0.00486763 -0.00873707 -0.00454685 +H 3.16505526 4.23542459 5.06256707 -0.01832011 0.01465414 -0.01206903 -0.14017052 0.12216633 -0.09146022 -0.01072300 0.02598141 -0.00618143 +C 3.99638470 7.90574749 6.32842829 0.00409653 -0.00791774 -0.00432624 0.00721614 -0.05546901 -0.01327677 -0.00339723 -0.00812337 0.00002457 +H 1.78148407 8.00295033 6.72082389 -0.01129211 -0.02400754 0.02636102 0.09213329 -0.08850370 0.18235497 0.01478645 0.01189306 0.02621165 +C 5.01093512 7.04530882 5.87181470 0.00913793 0.00170931 0.00595536 0.06077993 -0.00211784 0.01810356 0.00567518 -0.00268889 -0.00061392 +H 4.25806577 8.88637800 6.75244898 -0.00435538 -0.00224744 -0.00663892 -0.06289163 -0.04798937 -0.09259844 -0.00691226 0.00287665 -0.00941494 +C 4.67769903 5.75716837 5.33425601 -0.00137306 0.00796105 0.00934814 -0.03985508 0.03794979 0.06295889 -0.00739824 0.00205568 0.00775432 +N 6.33178231 7.52389545 5.85962977 0.00544228 -0.00114741 -0.00607534 0.03715578 -0.01940812 -0.03443790 0.00416068 -0.00145202 -0.00271947 +C 3.31196912 5.25304354 5.36700782 -0.00558509 0.00645172 0.00712796 -0.00940990 0.06054389 0.04968910 0.00084986 0.00889973 0.00539442 +H 5.41517940 5.10141970 4.90574167 -0.01024101 -0.00251315 -0.00717850 -0.07503881 0.04141841 0.01176764 -0.01012462 0.01292642 0.01107852 +C 7.48903694 6.81341287 5.82870099 0.00108844 -0.00240461 -0.00004689 -0.00373049 0.00424864 0.02004673 0.00032475 0.00179215 0.00489425 +H 6.49870278 8.45379924 6.16026165 -0.00028084 -0.01593528 0.00836857 -0.02577720 0.01444294 0.00153058 -0.00511835 -0.00252201 -0.01717848 +O 7.52643153 5.59989029 5.87010174 0.00286559 -0.00130043 -0.00078201 0.02976891 -0.01604850 -0.01137990 0.00533117 -0.00249122 -0.00237209 +C 8.70029679 7.69596505 6.09042197 0.00024778 0.00322279 0.00506265 0.00622077 0.01675166 -0.01027705 0.00012789 0.00152706 -0.00460488 +H 8.81537446 7.92101038 7.14511640 -0.02107273 -0.00771401 -0.02492567 -0.14398155 0.05756091 0.04852588 -0.01141640 0.01521696 0.01148678 +H 9.63244767 7.17399681 5.85415439 0.01506954 0.00223676 -0.01286659 -0.01889564 0.07257596 -0.08840222 -0.00846281 0.01041374 -0.00735231 +H 8.55180894 8.57879457 5.46776447 -0.00795851 0.02697453 -0.02532584 0.06683026 0.00485539 0.04037047 0.01913709 -0.01031678 0.02408725 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99317311 5.76938401 5.88602534 -0.00032685 -0.00798774 -0.00267412 0.00318166 -0.05034093 -0.01607363 0.00328391 -0.00458375 -0.00171203 +C 2.30562244 6.11544464 5.94918495 0.00755066 0.00889774 0.00002686 0.03400575 0.01583369 -0.01868471 -0.00116306 -0.00371277 -0.00478097 +H 0.71369889 4.83129431 5.81659840 0.01269305 -0.00869065 -0.02036595 0.18758547 -0.04414662 -0.15941525 0.02967536 -0.02493843 -0.02710008 +C 2.63180035 7.41836355 6.25689045 0.00183539 -0.00340538 0.00268228 0.03744958 0.02346022 0.02218325 0.00846346 0.00612421 0.00282247 +H 3.16710108 4.25926023 5.19222987 0.01787332 -0.02120652 -0.01974943 0.03667727 -0.03831875 0.03506988 -0.01076057 0.02220211 0.03051375 +C 3.97575596 7.83471633 6.19050515 0.00037095 0.00320553 0.00392104 0.00841205 0.01933064 0.03715202 0.00369301 0.00300266 0.00622503 +H 1.97650376 8.29718591 6.52175739 0.01756168 0.00416435 0.00574465 -0.05244270 -0.14949193 0.01082684 -0.04761437 -0.01318256 0.00657852 +C 5.02678074 6.92882541 6.00092655 -0.00103721 -0.00063761 -0.00607831 -0.00579359 -0.00903380 -0.03502569 -0.00033293 0.00116412 -0.00211193 +H 4.19902646 8.84060608 6.44278199 0.01036720 0.00707266 0.00338722 0.03657322 0.04550251 0.00798236 -0.00375018 -0.00633420 -0.00205496 +C 4.72515779 5.56262711 5.68952333 -0.00073736 -0.00212728 0.00565992 -0.02364353 0.01148947 0.04992602 -0.00521671 0.00234856 0.00593436 +N 6.30515985 7.39113408 6.23353853 0.00158606 0.00940070 0.00032919 -0.00872628 0.05367829 -0.01281206 -0.00407788 0.00781034 -0.00316279 +C 3.37163085 5.20434335 5.59047813 -0.00413991 0.00297074 0.00147627 -0.03042717 0.00958178 0.00176641 -0.00189148 -0.00155234 -0.00096137 +H 5.49375749 4.80387769 5.73336253 -0.01627556 0.01292611 -0.02183752 -0.02224351 -0.00435560 -0.26051399 -0.00482181 0.00229038 -0.03722462 +C 7.44733818 6.87706887 5.78876283 -0.00220395 0.00252458 0.00369953 -0.00016256 0.00977632 0.02819732 0.00099838 -0.00160256 0.00221398 +H 6.34241768 8.25360015 6.67034400 -0.01986777 0.00889279 -0.01438985 -0.03967904 0.13314479 -0.02138363 0.00877434 -0.01099745 -0.01046385 +O 7.56681974 5.90074918 5.08026650 -0.00438368 -0.00704805 -0.00165240 -0.03031996 -0.04386825 -0.00754234 -0.00416586 -0.00364911 0.00089356 +C 8.68926503 7.60852129 6.27316334 -0.00251025 -0.00088253 0.00159987 -0.01242598 -0.00117699 0.01033861 0.00238270 -0.00169312 -0.00164667 +H 8.31773620 8.51469866 6.84901267 0.01184393 0.01350677 -0.00598141 0.19938389 0.03715629 -0.10078794 0.03079339 0.01954687 -0.00075422 +H 9.30576455 7.05170623 6.97431535 0.01228337 -0.02130193 -0.01619942 0.00670573 -0.13384879 -0.14206129 -0.01333052 -0.01071910 -0.01576291 +H 9.21826113 7.86536696 5.38852458 0.01663302 -0.01300584 -0.00126635 0.11108559 -0.04070781 0.04099333 -0.00091806 -0.00432775 0.02151862 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99531474 5.87885348 5.95046220 -0.00223766 -0.00261503 0.00029143 -0.03198105 -0.00986350 -0.01122215 -0.00754624 -0.00249234 -0.00074338 +C 2.35413370 6.02978250 5.92360039 -0.01354050 -0.00805073 0.00282392 -0.08091086 -0.07070747 0.02824635 -0.00410783 -0.00927633 0.00282192 +H 0.60028799 6.40696516 5.23633151 -0.02857797 -0.00064220 -0.00328348 -0.14764132 -0.08799699 0.07007518 -0.02797589 0.00171230 -0.01179379 +C 3.01371862 5.45562114 7.00792553 -0.00221190 0.00005264 0.00365650 -0.01013487 0.01053665 0.04263137 0.00098110 0.00374738 0.00647034 +H 2.52887985 7.02612091 4.05978287 0.00132254 -0.00099944 -0.01653806 0.04780655 -0.07033696 -0.06463934 0.01071237 -0.01788085 0.00683097 +C 4.36764589 5.71116798 7.16372345 0.00469279 0.00041079 -0.00592957 0.05372365 0.01060464 -0.02951107 0.00748354 0.00283703 -0.00220187 +H 2.49204537 4.99276630 7.86087721 -0.00156902 0.01220833 0.01462010 -0.02169696 0.06114639 0.01290301 -0.00976413 -0.00303317 0.00718621 +C 5.09851435 6.39743330 6.17028369 0.00259280 0.00655014 -0.00252497 0.01953582 0.03232269 -0.02386334 0.00331162 0.00271272 -0.00539077 +H 4.91971894 5.43525443 8.04561921 0.02815686 0.03000608 0.00626676 0.03177393 0.13206868 -0.00433704 -0.01331109 0.00258904 -0.00293698 +C 4.40728772 6.68872337 4.96852183 0.00441264 0.00066710 -0.00488551 0.05060589 0.03126165 -0.03875863 0.00751333 0.00745061 -0.00476066 +N 6.45919875 6.65529380 6.43686928 0.00011407 0.00044034 -0.00703209 0.01626966 0.01643582 -0.06281746 0.00313992 0.00198700 -0.00742090 +C 3.04622562 6.59291974 4.87661287 0.00344598 0.00322944 0.00489005 -0.00950370 0.02123451 0.02465763 -0.00575935 0.00140673 0.00239948 +H 4.82258342 7.18436716 4.11139613 0.00299500 0.00410165 -0.01537604 0.13341638 -0.01323692 -0.01955371 0.02915057 -0.00665956 0.00672350 +C 7.39589513 7.39966492 5.71395497 -0.00049732 -0.00021225 0.00726790 -0.04718751 0.00446745 0.01903360 -0.00824898 0.00295734 -0.00225738 +H 6.84864478 6.25232882 7.24565602 0.01157668 0.00574087 -0.01279274 0.03077897 -0.01068199 -0.04440947 -0.01098419 0.00066845 -0.01861394 +O 7.15852585 8.07563552 4.69818871 0.00420304 -0.00112503 0.00228453 0.01962611 -0.01477965 0.02563834 0.00084535 -0.00249339 0.00431190 +C 8.78363317 7.36694705 6.13009288 -0.00392213 -0.00437601 0.00219935 -0.00078192 -0.01024253 0.03293790 0.00426465 -0.00088785 0.00680422 +H 9.44830993 7.57518406 5.31942682 -0.00983448 0.00273169 -0.00868943 -0.06166726 -0.05090597 -0.06459474 -0.01395895 -0.02030184 0.00391589 +H 8.91135390 8.16401815 6.84249923 0.04115000 0.00707049 0.00953837 0.23073523 -0.08867831 0.04135831 0.01647139 -0.02802582 -0.00074665 +H 8.95691387 6.38074012 6.51312570 -0.01809194 0.01362676 -0.00625466 0.02027152 -0.05987577 0.05746684 0.01758574 -0.00799421 0.00961855 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95548819 5.85799373 5.88720204 -0.00138531 0.00258455 -0.00114191 -0.01181869 0.00731611 -0.01060164 -0.00218392 0.00018091 -0.00180669 +C 2.30487430 6.10929710 5.90474959 -0.00631905 0.00701491 0.00251141 -0.03528995 0.03183077 0.00837990 -0.00175793 -0.00028114 -0.00082900 +H 0.70426175 5.00359250 5.63862283 0.00506964 -0.02160805 0.00147741 0.08545009 -0.01561344 0.04054251 0.01420754 0.00558179 0.00747095 +C 2.72682581 7.39075245 6.30324113 0.00214171 -0.00229652 -0.00086115 -0.04604835 0.00527149 0.00033730 -0.01388347 0.00573571 0.00158560 +H 3.03970343 4.14654719 5.29383698 -0.01390122 -0.00979654 -0.03591738 -0.07781630 0.10210902 -0.23817268 -0.00172796 0.03793762 -0.02007798 +C 4.02841251 7.80030462 6.35110930 -0.00358621 -0.00293781 -0.00235606 -0.01440474 0.00255848 -0.00938008 0.00095552 0.00037957 -0.00073091 +H 1.96490104 8.06582026 6.52543370 -0.02563627 0.01595994 0.00584652 -0.02122425 0.03124406 0.03240855 0.02042698 -0.01081704 0.00171981 +C 5.01068067 6.92228590 6.02688592 0.00302957 -0.00537501 0.00155707 0.01962778 -0.08981869 0.00144521 0.00037989 -0.01354273 0.00042354 +H 4.16501524 8.82686508 6.60071285 0.00069397 0.00913949 0.01251558 0.07559473 -0.03073427 0.07023111 0.01607241 -0.01777389 0.00403248 +C 4.61278291 5.56131127 5.65311449 -0.00060306 -0.00447826 0.00418944 0.01772721 -0.01848823 0.00518013 0.00427933 -0.00272507 -0.00198010 +N 6.33157719 7.32676095 6.09590810 -0.00019209 -0.00176367 0.00097807 -0.01876677 0.02789660 0.00714292 -0.00340976 0.00626805 0.00045132 +C 3.25255644 5.16891723 5.51096536 0.00149215 -0.00029991 -0.00010921 0.01134679 -0.00083545 0.01614576 -0.00043663 0.00165772 0.00368301 +H 5.36163444 4.88334488 5.23201157 0.00786066 -0.01017780 0.00054068 0.00672421 -0.04542388 0.15025151 0.00584251 -0.01252567 0.02940227 +C 7.49432435 6.87700841 5.75328035 0.00587854 0.01281506 0.00308404 0.02568822 0.03970190 0.01859509 0.00041170 -0.00456227 0.00078193 +H 6.40108386 8.32197615 6.32381003 0.00694435 0.00821421 0.00118272 0.00165253 -0.03203505 0.06877651 -0.00990651 0.01026487 0.02421675 +O 7.73365209 5.80673242 5.29830514 0.00314040 -0.00268986 -0.00161635 0.02123780 -0.02252754 -0.01724526 0.00255020 -0.00144212 -0.00226757 +C 8.57052200 7.75159891 6.19510788 -0.00236104 -0.00034288 -0.00579649 0.03831512 0.02893039 -0.03165197 0.01077508 0.00758283 -0.00086481 +H 8.42915560 8.17703755 7.17971571 0.01151902 -0.00121812 -0.01304097 0.02555700 -0.04567404 0.01678236 -0.00385098 -0.00893938 0.00621926 +H 9.55098694 7.24668685 6.14498614 -0.00353934 -0.01728196 0.02317911 -0.08103516 -0.09937765 0.14397286 -0.00206152 -0.00927241 0.00842709 +H 8.75379800 8.65003269 5.57088718 -0.01029753 0.00409874 0.00796269 -0.10574079 -0.00058414 -0.04991706 -0.00605616 0.00704168 -0.02767197 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02188886 5.78847882 5.76689116 0.00555433 -0.00221928 -0.00109806 0.01305214 -0.01012423 0.00154163 -0.00304094 -0.00229479 0.00010928 +C 2.30597772 6.14715972 5.87916070 -0.00754124 0.00413601 0.00140229 -0.03079456 0.01238488 0.00459885 -0.00062797 0.00139226 0.00042814 +H 0.80155095 5.14181083 5.10670371 0.01410826 0.01474925 0.01450003 0.10633647 -0.05151908 -0.02572324 0.01896951 -0.00651294 0.00148736 +C 2.61640506 7.39904102 6.35112991 -0.00273373 -0.00126600 -0.00004420 0.01135700 0.01141578 0.01735310 0.00479850 0.00405511 0.00537720 +H 3.08572398 4.25955553 5.23215994 -0.00566794 -0.01246738 0.02802955 -0.02323844 -0.03590540 0.15201662 -0.00740613 0.01102530 0.01188108 +C 3.96361502 7.79916629 6.44909188 0.00348539 0.00029780 0.00042773 0.01607444 0.00547732 -0.01688462 0.00222475 0.00258930 -0.00544755 +H 1.86926977 8.12714146 6.67980874 0.03188859 -0.02393195 0.02101094 -0.00995609 -0.05377949 0.14910190 -0.02562030 0.00587741 0.01435061 +C 4.96589514 6.95914643 5.97654567 0.00198575 -0.00244282 -0.00873998 0.02928212 -0.02174120 -0.05362733 0.00295356 -0.00465377 -0.00593075 +H 4.21765879 8.77115500 6.74781366 0.00015573 0.00495147 -0.01679031 -0.01279791 0.07751441 -0.03821704 -0.00687385 -0.01059991 0.00059313 +C 4.64604895 5.68196389 5.63536442 -0.00065453 -0.00898471 -0.00221457 -0.00575312 -0.09077720 -0.03936724 -0.00399056 -0.01162046 -0.00739545 +N 6.27892179 7.40980560 5.81801821 -0.00179905 -0.00105197 0.00478651 -0.02258021 0.02378948 0.04358082 0.00041138 0.00434413 0.00681855 +C 3.34291626 5.24165572 5.55976725 -0.01004139 0.00554138 -0.00117279 -0.08267180 0.02793151 -0.00399801 -0.00976336 -0.00019006 -0.00017135 +H 5.39308729 4.94282070 5.25238460 -0.02079444 -0.02249157 -0.01422011 -0.07681204 -0.08379159 -0.01610197 0.01964876 -0.02373955 0.00003861 +C 7.45632405 6.83725945 5.85205601 0.00256008 0.00565402 0.00258908 0.03895778 0.00782557 0.01675901 0.00425205 -0.00118748 0.00231713 +H 6.23562237 8.44028559 5.85032430 0.02125301 0.00869748 -0.00045514 0.19649567 -0.03492075 -0.00760620 0.01895042 0.01254535 0.00124259 +O 7.73831035 5.62564246 5.84342868 0.00277263 0.00516295 0.00052138 0.00262867 0.03878479 0.00406363 -0.00145144 0.00459747 0.00063238 +C 8.65994701 7.73447784 5.91696443 0.00107363 -0.00138294 0.00196436 0.00985403 0.00645652 -0.00877542 0.00655613 0.00069211 -0.00169273 +H 8.42242085 8.78501831 6.11719812 -0.00456492 -0.00329331 0.00098990 -0.02617475 -0.01612426 0.02997220 -0.00229084 0.00349323 0.00356096 +H 9.32095787 7.36542666 6.58976446 -0.00395992 0.00168561 -0.00408574 0.08612510 -0.01303664 0.12524062 -0.01434574 0.01668966 -0.00804455 +H 9.15300493 7.70970871 4.98766251 0.00180679 -0.01850576 -0.01736982 -0.01192205 -0.08504995 -0.06302144 -0.01174318 0.00063153 0.01749798 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99196548 5.75786338 5.85710629 0.00323328 -0.00401978 0.00153205 0.01978668 -0.00642780 0.00917168 0.00143448 -0.00018972 0.00083557 +C 2.30387721 6.13122873 5.85105198 0.00658493 -0.00443324 -0.00223865 0.02270478 -0.02156178 -0.01868504 -0.00049371 -0.00001846 -0.00243905 +H 0.78015710 4.84644394 5.78365446 -0.01612870 0.02570181 0.00340605 -0.06206129 -0.02468050 0.00188647 0.01203852 0.00731751 0.00040962 +C 2.68709476 7.45980385 5.97283757 0.00723662 0.00101298 -0.00228769 0.04399454 0.00516634 0.00671605 -0.00210177 0.00420018 0.00411124 +H 3.07458344 4.10742002 5.55378414 -0.02260916 -0.03193573 -0.01057812 -0.11827648 0.08272153 -0.00427002 -0.01527812 0.01093613 0.00363005 +C 4.02032185 7.82812074 6.26175227 -0.00274463 0.00046494 -0.00002539 -0.00922849 0.02829064 -0.01482375 0.00256614 0.00574801 -0.00391785 +H 2.00288467 8.17976549 6.05501939 0.02858249 -0.01290329 0.00780151 -0.07009177 0.11621102 0.02247535 0.00852562 -0.01355377 -0.00870420 +C 5.00386269 6.87669654 6.14148032 0.00125966 0.00915946 0.00294328 0.00739928 0.01594158 0.01351049 -0.00135475 -0.00450830 0.00043258 +H 4.30365857 8.85932643 6.41944668 0.01999238 0.01745231 -0.00998739 -0.00720566 -0.00406663 -0.03855932 -0.01933435 -0.00176417 0.00163036 +C 4.63311427 5.51884545 5.86356409 -0.00621763 -0.00269758 -0.00327338 -0.01946892 0.01398823 -0.01752040 0.00162629 0.00476606 -0.00162941 +N 6.31560303 7.31891170 6.35084825 -0.00680947 0.00086103 -0.00058078 -0.01620608 0.01001701 -0.00493161 0.00438645 0.00157365 -0.00082584 +C 3.28952585 5.17073154 5.72064399 -0.00693368 0.00312549 0.00431984 -0.03109723 -0.03443057 0.02292730 0.00006299 -0.00882416 0.00238876 +H 5.37434223 4.76421305 5.76811684 -0.00687798 0.00163569 -0.00803339 -0.00885397 -0.01994520 -0.05130322 -0.00725397 0.00674176 -0.00427921 +C 7.47412962 6.93790782 5.77829522 0.00117782 -0.00083261 0.00188757 -0.00174802 -0.04779918 -0.01642970 -0.00290171 -0.00871765 -0.00374203 +H 6.41549886 8.11506885 6.93332971 0.01911333 -0.00978673 0.01520742 0.05349833 -0.06811373 0.09786447 -0.00823368 -0.01532011 0.00475636 +O 7.51970384 5.98385359 4.92285759 0.00135655 -0.00205941 -0.00338646 0.01228883 0.01305689 -0.00098846 0.00217031 0.00416675 0.00177984 +C 8.77999627 7.63027767 6.24647046 -0.00078514 -0.00274051 -0.00265343 -0.02745545 0.00921108 0.01128859 -0.00496690 0.00217473 0.00527174 +H 9.27334741 7.11043187 7.04505855 0.00144815 0.00380020 0.00783557 0.00447488 -0.02738170 -0.00567197 -0.00492165 -0.00697348 -0.01696781 +H 9.51177351 7.99063979 5.49268489 -0.00812735 0.03013339 0.03815430 -0.03346514 0.09746270 0.06487934 -0.00010013 -0.00627838 -0.02527493 +H 8.39277508 8.56829964 6.71079321 0.01140869 0.02397766 0.00951997 0.13560953 -0.02492544 0.00644215 0.00651169 -0.00437798 0.00909179 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.11180117 5.70167223 5.51665100 0.00315276 -0.00347018 0.00173849 0.01440116 -0.02237415 0.00254536 0.00028712 -0.00294095 -0.00148749 +C 2.36385236 6.11003391 5.79107946 0.00331506 0.00324311 -0.00414214 0.00971170 0.01534498 -0.01563015 -0.00202703 0.00153663 -0.00018538 +H 0.68877685 5.32815946 6.30833197 -0.01865141 -0.01590424 -0.03825241 -0.12623178 -0.16909499 -0.18314139 -0.00504846 -0.02809328 -0.01161874 +C 2.61619551 7.46902566 5.92711044 -0.00671334 0.00003521 -0.00156927 -0.03042194 0.01677647 -0.01699430 -0.00247724 0.00560770 -0.00261725 +H 3.14759447 4.11072388 5.86447036 0.01519108 0.03499980 0.01009328 0.04228668 0.02434398 0.12973362 -0.00507716 -0.01915927 0.02230203 +C 3.93372785 7.92529879 6.11546672 0.00164699 -0.00313312 0.00401104 -0.02135437 -0.00811204 0.02252420 -0.00577614 0.00059229 0.00193549 +H 1.83994405 8.16127724 5.71977057 -0.01297554 0.00366990 0.00891356 -0.08335734 0.02665400 0.11037477 0.00138686 -0.00569550 0.01917726 +C 4.97340336 7.01142177 6.15291239 -0.00045542 0.00530196 0.00096246 0.01706935 -0.02383185 0.00577259 0.00217946 -0.00878184 0.00087520 +H 4.03087195 8.99439865 6.15847600 0.00117265 -0.00498167 0.00094595 0.10082560 -0.01260224 -0.00965529 0.01894033 -0.00386301 -0.00105785 +C 4.65843960 5.57004897 6.21398306 0.00461896 -0.00479689 0.00055923 0.06143749 0.04453921 0.00632638 0.01125121 0.01321679 0.00074652 +N 6.31268707 7.50082484 6.10280916 -0.00789773 0.00163000 0.00225150 -0.06017592 -0.01525928 0.01597092 -0.00531327 -0.00175749 0.00309818 +C 3.37118480 5.16603311 6.03316266 0.00125763 0.01022952 0.00162967 0.00191127 0.05963162 -0.00260922 0.00268876 0.00513433 -0.00129640 +H 5.44699620 4.87337710 6.39148981 0.01471297 0.02577297 -0.00416079 0.11000295 0.01782574 -0.07161539 -0.00298670 -0.00730765 -0.01418080 +C 7.44991012 6.84969975 5.75313683 -0.00206461 0.00007399 0.00204190 -0.02546076 0.02033863 0.02848512 -0.00502692 0.00170119 0.00407293 +H 6.31994613 8.42510593 6.48131487 -0.00948972 -0.02934452 -0.01998453 0.07013300 0.08084365 -0.07453930 0.01420359 0.00722597 -0.01332150 +O 7.49920160 5.75136983 5.29877840 0.00222993 -0.00347408 -0.00000124 0.01400787 -0.03621746 -0.00726678 0.00152108 -0.00454519 -0.00106957 +C 8.73806559 7.56676343 6.10568825 -0.00042932 -0.00404589 -0.00407661 0.00812151 -0.01165115 -0.03331139 0.00006108 -0.00056072 -0.00299159 +H 9.66178899 7.05176229 5.71812642 0.01596746 -0.00689593 -0.00602995 -0.06207800 0.01498406 -0.00376608 -0.00494337 -0.00549700 -0.01076664 +H 8.72320003 8.63617085 5.75015913 0.00420952 0.01054570 0.01223635 0.03101087 -0.06669023 0.05837777 0.00425821 0.00481770 -0.00536257 +H 8.78113726 7.64667743 7.20175310 0.00016180 -0.01260492 -0.01566662 0.05229165 -0.12115440 -0.03797812 0.01399457 -0.01898694 0.00593359 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04502195 5.55428320 5.75215265 0.00105959 -0.00109279 -0.00051674 0.01001791 -0.00365338 -0.00998542 0.00105572 -0.00116102 -0.00010040 +C 2.35402093 6.00547328 5.77228284 0.00123126 -0.00719396 -0.00204494 0.01074266 -0.04286204 0.00268157 0.00071532 -0.00440841 0.00304240 +H 0.61861179 5.10039237 6.41851507 0.00005496 0.00843926 0.00437353 0.10051719 0.08038894 0.12313153 0.03667251 0.02845709 0.00177002 +C 3.01424415 6.21145891 4.53676495 -0.00239422 0.00135197 0.00481823 -0.05105724 0.01859305 0.01533878 -0.00790826 0.00345464 -0.00001508 +H 2.64540083 5.93359500 7.92626995 0.00767579 -0.01053470 0.01286239 0.03142118 0.11679393 0.00013592 -0.01049581 0.03528425 0.00573950 +C 4.33944582 6.55697812 4.45033322 0.00015103 -0.00001925 -0.00118443 0.00324645 -0.00654467 -0.00477501 -0.00019011 -0.00083204 0.00018093 +H 2.38256139 6.26855934 3.64573383 -0.02035306 0.00459758 -0.00540967 -0.00470170 -0.10208432 0.04272955 0.00293099 -0.02817014 -0.00197410 +C 5.06743946 6.68344575 5.64371592 0.00572467 -0.00019371 -0.00511636 0.02188570 0.02815880 -0.02522005 -0.00129098 0.00682229 -0.00130609 +H 4.74112227 6.63047818 3.45118373 0.01770330 0.02126589 -0.00030935 0.09571499 0.16414954 0.06758578 0.00191986 0.01722431 0.01360482 +C 4.42041014 6.67651024 6.94084906 0.00081001 0.00214117 -0.00182816 0.02003558 -0.00481484 -0.03179966 0.00294455 -0.00342482 -0.00780099 +N 6.35483580 7.14229502 5.37993534 -0.00165232 -0.00443216 -0.00047140 0.00511601 -0.03416244 0.00826326 0.00322136 -0.00393972 0.00042891 +C 3.07461663 6.27459806 6.97521906 -0.00301692 0.00773519 -0.00065351 -0.02380963 0.02215393 -0.00256906 -0.00072283 -0.00054312 -0.00175167 +H 4.95927952 6.75615286 7.86416441 0.02637610 0.00157147 0.01753891 0.00658802 0.04734947 -0.05840214 -0.01798338 0.01161874 -0.02316903 +C 7.40037354 7.10790276 6.23868244 -0.00287240 -0.00536190 -0.00333283 -0.02977250 -0.02040415 -0.03146134 -0.00365886 -0.00071548 -0.00052811 +H 6.49070483 7.54734085 4.47445197 -0.00199833 0.02656211 0.02209207 0.04164547 0.10550631 0.07113082 0.00872731 -0.00472377 0.00692754 +O 7.20119339 7.02507752 7.41511594 0.00235030 0.00214932 0.00240833 0.03006833 0.00803858 0.02900329 0.00588291 0.00012899 0.00389418 +C 8.80461024 7.31168825 5.66876076 -0.00488338 -0.00018038 -0.00006828 -0.02795462 0.00858741 0.02618456 -0.00222860 0.00046658 0.00493379 +H 8.87308441 7.21135821 4.58815661 -0.00607275 0.01658326 0.02679134 -0.03151728 0.07821887 -0.01830802 -0.00503191 0.00909224 -0.01348198 +H 9.24172002 8.27073843 5.97869157 0.00861631 -0.00552669 0.01760799 -0.04619159 -0.02621763 0.06941860 -0.01617347 0.00704391 0.00760274 +H 9.44749212 6.63033444 6.18347330 -0.00060756 0.00236665 -0.00689039 0.01291641 -0.09315926 -0.09901101 -0.00842361 -0.01446711 -0.02453053 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01326729 5.65313596 5.85495086 0.00112961 0.00029968 -0.00222055 0.01937663 -0.00455949 -0.01323915 0.00487027 -0.00043510 -0.00192477 +C 2.31654883 6.09927514 5.78899862 0.00712343 -0.00228532 -0.00104781 0.02918533 -0.01393933 0.00155488 -0.00037815 -0.00172862 -0.00071480 +H 0.89743726 4.79913993 6.20368307 0.00249422 -0.01893007 0.01139877 0.05161452 0.03962318 0.04657323 0.00821061 0.01220267 0.01011118 +C 2.80368668 6.69656008 4.61900812 0.00496239 -0.00575251 0.00133961 0.02189465 -0.03819724 -0.02012074 -0.00024210 -0.00434611 -0.00839808 +H 2.95375734 5.56687392 7.87610496 -0.00582350 0.01180629 0.00658301 -0.11418384 0.13066241 -0.05756859 -0.02888095 0.01516040 -0.00072976 +C 4.11479287 7.09864063 4.38250342 -0.00075847 0.00564166 0.00291305 0.01989340 0.01718747 0.03101001 0.00379380 -0.00032840 0.00404427 +H 2.21719638 6.69782408 3.75517033 0.01552740 0.01195012 0.01091148 -0.08553101 0.09518314 -0.02059088 -0.01510786 0.00933563 0.01039746 +C 5.01696631 6.84032469 5.45799528 -0.00643850 -0.00204353 -0.00456824 -0.02918762 -0.00722218 0.02060126 0.00179369 0.00065098 0.00984043 +H 4.52078276 7.32201068 3.41984638 -0.01002227 0.01756307 -0.01004298 -0.13684774 0.19472092 0.01939425 -0.02039125 0.03172486 0.02440035 +C 4.47510839 6.40618444 6.71806065 -0.00426469 -0.00232217 0.00436281 0.02289679 -0.01162090 0.00723214 0.00947510 -0.00152971 0.00001131 +N 6.39608023 7.09442289 5.42260972 -0.00351435 0.00393355 0.00263171 -0.01367088 0.02798994 -0.00070829 -0.00264768 0.00251103 0.00020712 +C 3.18796224 6.01739773 6.90081174 0.00181481 0.00670722 -0.00442981 -0.01898987 0.02795722 -0.01826781 -0.00486499 0.00206939 -0.00102651 +H 5.12711501 6.20178778 7.50052483 0.01857199 0.00460636 0.00319667 0.01598297 0.06593480 0.08153157 -0.02553116 0.01528331 0.00276492 +C 7.43676234 6.90742333 6.29914565 -0.00380368 0.00170714 -0.00005391 -0.01871908 0.02424404 -0.00821798 -0.00129442 0.00353142 0.00028253 +H 6.75682078 7.48867746 4.52133507 0.01286236 -0.01916563 -0.00992776 -0.02164837 -0.11899171 0.01923287 -0.00398861 0.00189117 -0.02378253 +O 7.41985429 6.32281906 7.35485440 0.00379723 -0.00199337 0.00434776 0.01708317 -0.01676368 0.03087821 0.00088286 -0.00172554 0.00276547 +C 8.78397503 7.55825610 5.92818975 -0.00316082 -0.00578783 -0.00570812 -0.02378070 -0.04229928 -0.03618915 -0.00487449 -0.00629731 -0.00446484 +H 9.22184898 8.03706427 6.83858487 0.00432158 0.01006535 -0.00586675 -0.03756085 0.03526264 -0.15155953 -0.00290648 0.00236202 -0.01124219 +H 9.50508471 6.75113882 5.67986255 -0.00968254 -0.01127823 -0.00631108 -0.08723169 -0.03378900 -0.08380377 -0.00261533 -0.00753814 -0.02142366 +H 8.69392259 8.24318526 5.03465619 -0.00368898 0.01488042 0.01542795 -0.01136529 0.06387398 0.14354425 -0.00392535 0.01404665 -0.00164521 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.93970558 5.83928494 5.92663180 -0.00086866 0.00506844 -0.00031282 -0.00045056 0.02090103 0.00165612 0.00091109 0.00338642 -0.00023832 +C 2.28326676 6.12724724 5.88734803 0.00146019 -0.01001012 -0.00079776 -0.00137593 -0.04153546 -0.00148796 -0.00020234 -0.00118828 0.00038704 +H 0.77393673 4.93223568 6.23133272 -0.01297448 -0.00746009 0.00808008 -0.08096987 0.08016524 -0.02128771 -0.01824839 -0.01371070 0.00066554 +C 2.65977483 7.47416589 6.11569498 0.00357524 -0.00417442 -0.00010147 0.00972244 -0.03059396 0.00769864 0.00129286 -0.00706071 0.00144093 +H 2.97323758 4.08701533 5.53973498 -0.02140598 0.00254169 0.01968364 -0.10000321 -0.01587354 0.04255149 0.00529465 -0.00520235 -0.01061094 +C 4.02808186 7.82319537 6.20073255 0.00062873 0.00362530 0.00702578 -0.01637574 0.02151187 0.03096127 -0.00592791 0.00080374 0.00107088 +H 1.85013476 8.20314731 6.32362732 -0.01596120 0.01476600 -0.00212679 0.09777146 -0.03179128 -0.09324668 0.01177663 0.00012083 -0.01528665 +C 4.98658895 6.81429333 6.00293184 -0.00260796 0.00150110 -0.00575808 0.01109530 0.05273342 -0.02897528 0.00371251 0.01331000 -0.00186761 +H 4.35086481 8.85893501 6.32652984 -0.02402070 0.03185659 -0.01249274 -0.19159655 0.02879288 -0.00245709 -0.01724967 -0.00842230 0.01462076 +C 4.62240133 5.47800271 5.66320442 0.00665493 0.01169104 0.00407660 0.03376080 0.06004170 0.02377672 -0.00060000 0.00232739 0.00149733 +N 6.30318258 7.33438924 6.22462643 -0.00517542 -0.00010931 -0.00120862 -0.05272994 -0.01204342 -0.00366527 -0.00357445 -0.00377272 -0.00135238 +C 3.24037355 5.12939412 5.66446298 0.00040790 -0.00726317 -0.00391772 0.03011111 -0.03886770 -0.01786641 0.00701637 -0.00172774 -0.00008219 +H 5.50349187 4.84736917 5.49943593 -0.00745968 -0.01856105 -0.01606294 -0.19383252 -0.11768172 -0.05317066 -0.02174258 -0.00908511 0.00376196 +C 7.47628564 6.88899662 5.85212363 0.00205009 -0.00320843 -0.00271857 0.04984569 -0.00544616 -0.02553665 0.00487556 0.00394776 -0.00161452 +H 6.25007500 8.14191815 6.83407319 -0.00951163 0.01018980 0.00806890 0.03650588 -0.00553276 -0.05467102 0.01230780 0.00097689 -0.01257835 +O 7.72146586 5.94122488 5.07819944 0.00147523 0.00354907 0.00504557 -0.00114929 0.01657990 0.03503387 -0.00093398 -0.00052917 0.00345161 +C 8.74689156 7.71263715 6.28003602 0.00077019 -0.00472558 -0.00101520 -0.02633731 -0.02949045 -0.00758330 -0.00463207 -0.00137625 -0.00333230 +H 8.80711264 7.69763238 7.38690275 0.00013653 -0.01072429 -0.00869697 0.11320340 -0.14717380 -0.04609423 0.02660124 -0.02920311 0.00319410 +H 9.64068342 7.48316398 5.75320966 -0.00822933 -0.01100444 -0.02092631 -0.03671893 -0.13359787 -0.06826415 -0.02056623 -0.01700172 0.01226358 +H 8.55197367 8.71788897 6.07504066 0.00753475 0.00284942 0.00435620 0.03602731 0.05392695 -0.00822155 0.00590639 -0.01906655 0.00155526 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.93587038 5.70257129 5.71699335 0.00067784 0.00309524 -0.00533212 -0.00365415 0.03114155 -0.03214330 -0.00202649 0.00633017 -0.00370295 +C 2.22786301 6.11104600 5.89119110 -0.00367687 -0.00528007 -0.00153021 0.00290954 -0.03361780 -0.00829936 0.00224749 -0.00196733 -0.00014636 +H 0.79706581 4.76708501 5.46453547 -0.02694522 0.02011272 -0.00332657 -0.12698121 0.07183492 -0.04379905 -0.00714858 -0.00984534 -0.01159231 +C 2.58011305 7.41610616 6.31950831 0.00234667 -0.00508736 0.00173699 0.01001026 -0.03593982 0.00374857 -0.00141495 -0.00477773 -0.00030245 +H 3.09757034 4.22282345 5.28463728 0.01273432 -0.00501493 -0.00018447 0.06191604 -0.04365483 0.01295138 -0.00520031 0.00519910 0.00762605 +C 3.93226119 7.87783483 6.35897036 -0.00387383 0.00233475 0.00196611 0.00026752 -0.00817866 0.01630099 0.00238915 -0.00158790 0.00378921 +H 1.82894365 8.12298373 6.56735089 -0.00376661 -0.02782148 0.00172600 -0.10350420 -0.11058751 0.03121208 -0.00374476 -0.01259455 0.00223547 +C 5.03878666 6.98957345 6.07522184 0.00601477 0.00205759 -0.00555464 -0.02868946 0.02516218 -0.02635081 -0.00888943 0.00408133 -0.00135843 +H 4.16533846 8.85436485 6.64963531 -0.00648094 -0.00278735 0.01936577 -0.08082226 0.03876768 0.11614060 -0.01690126 -0.01563603 0.00155561 +C 4.60128707 5.70346719 5.74305943 0.00130632 -0.00308311 0.00543734 0.04650154 -0.04540437 0.02000136 0.00438890 -0.00714461 0.00041988 +N 6.34076217 7.39924283 6.15680549 0.00053494 0.00909831 0.00619025 0.03581066 0.07845565 0.04247996 0.00572554 0.01338290 0.00537386 +C 3.31486225 5.21623372 5.61397705 -0.01109449 -0.00256285 0.00393631 -0.07324183 -0.00524531 0.02838205 -0.00206375 -0.00167596 0.00331257 +H 5.44693307 5.02689285 5.52823974 0.01349663 0.00236925 -0.01459900 -0.06843386 -0.05639589 -0.07117415 -0.00294210 -0.03338813 -0.00831946 +C 7.55543165 6.86195381 5.82404160 -0.00445388 0.00336181 -0.00223412 -0.04129409 0.01488245 -0.02421623 -0.00304363 -0.00015498 -0.00443492 +H 6.48995255 8.28019836 6.55594882 0.01063767 0.01669750 -0.00784106 -0.00215929 0.15572815 -0.04286650 -0.00982686 0.00545730 -0.01060120 +O 7.61362779 5.74434064 5.36291266 0.00082794 -0.00651267 0.00068107 0.00875114 -0.04336548 0.00391126 0.00074730 -0.00429906 0.00097667 +C 8.84782816 7.66268841 5.97452197 0.00841511 -0.00052717 -0.00215881 0.03421335 0.00041979 -0.01419234 0.00214763 -0.00094780 0.00008056 +H 9.53251526 6.88021840 6.19876225 0.00736136 0.00221067 -0.03097678 0.19572723 0.03886309 -0.13739020 0.02038584 0.02506633 -0.00982573 +H 9.16512577 8.22523312 5.06938409 0.01281429 0.01203213 0.00273066 0.01419629 0.01582274 0.03664188 -0.00769623 0.00286350 -0.00756936 +H 8.74101206 8.32873465 6.79091266 0.00858629 0.01471066 0.00185520 0.11925855 0.04107878 0.01120683 0.02432162 -0.01642186 -0.01111791 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01108496 5.75148158 5.67521076 -0.00400637 0.00142227 -0.00212174 -0.01383504 0.01403701 -0.01063686 -0.00000772 0.00019789 -0.00188402 +C 2.31355369 6.07201800 5.88838916 0.00301482 -0.00147630 0.00179195 0.00097143 0.02288348 0.01934415 -0.00307458 0.00289360 0.00251007 +H 1.10014307 4.86796676 5.40424753 -0.00993022 0.02669631 -0.00998195 -0.19411439 0.00505460 -0.13113889 -0.03774454 0.02250659 -0.00836577 +C 2.62237153 7.47370844 6.16134126 0.00273425 -0.00776503 -0.00212069 0.02214723 -0.05888732 -0.01527478 0.00762720 -0.00708353 -0.00160067 +H 3.09254340 4.06146446 5.61068536 0.00761634 0.02075693 0.00086250 0.00897445 -0.03702827 -0.01502011 -0.00343987 -0.01970704 -0.00100609 +C 3.97701852 7.89358039 6.32205936 0.01002839 0.00343198 0.00114993 0.01601021 0.01293728 -0.00657856 -0.00639973 -0.00418800 -0.00302392 +H 1.73291915 8.16997695 6.19194554 -0.01735249 -0.00923739 -0.01031079 0.10735102 -0.10978128 -0.03240911 0.00798855 0.00783789 0.00306355 +C 4.98944564 6.95470357 6.09077952 -0.00150086 0.00175013 0.00227126 0.01102855 0.00066223 0.02501449 0.00453863 -0.00068489 0.00439224 +H 4.17504992 9.00731955 6.44707680 -0.00322576 -0.00548725 0.01221555 0.02333616 -0.08178176 0.11113679 0.01366996 0.01956832 0.02023323 +C 4.63854662 5.55154559 5.90053919 -0.00478617 0.00044839 0.00164284 -0.00651180 0.03033074 0.00554943 0.00684418 0.00177629 -0.00071559 +N 6.31698236 7.45310262 6.21237151 0.00042943 0.00292673 -0.00016453 0.00336669 -0.01085510 0.00071017 -0.00095844 -0.00399761 0.00146870 +C 3.30927947 5.10962734 5.81999056 -0.00206583 -0.00569499 0.00195836 -0.00127012 -0.01465952 0.01225821 0.00106741 0.00246098 0.00135703 +H 5.40432584 4.96423361 5.69797758 0.00325441 -0.00996075 0.00350858 0.01210389 -0.17334272 0.07099070 -0.04537515 0.01400416 0.02478465 +C 7.48894939 6.84805549 5.77478131 -0.00293321 0.00533188 -0.00349595 -0.02477549 0.07470958 -0.01411358 -0.00095464 0.01010760 -0.00334559 +H 6.44170115 8.20052917 6.86061105 -0.00880084 0.00175685 0.00981070 -0.04263390 0.03386729 -0.03324552 -0.00141932 0.00211887 -0.02269996 +O 7.53042190 5.91033561 5.04415830 -0.00022368 -0.00384035 -0.00247021 -0.00050844 -0.03402954 -0.02050472 -0.00024563 -0.00296922 -0.00150132 +C 8.78114727 7.59231422 6.17418498 0.00492369 0.00317922 0.00062620 0.02790413 0.01780940 0.02307571 0.00037615 -0.00103736 0.00396397 +H 9.55026758 6.91767742 6.53969965 0.00818899 -0.00029145 0.00632058 -0.03653723 -0.03443008 0.05297874 -0.01538425 -0.00605657 0.00823031 +H 9.35257117 8.11908244 5.37134025 -0.00360977 -0.02226910 -0.00762319 -0.11837807 -0.09169842 -0.09178083 -0.01724941 0.00714459 -0.01866516 +H 8.63961158 8.32870292 6.99745548 -0.02715599 0.00521609 0.02480336 -0.12144082 -0.06489295 -0.03424730 -0.00315690 0.00154171 -0.01440394 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98393360 5.95297942 5.77155896 -0.00425243 0.00022594 -0.00365819 -0.02981876 0.00265348 -0.02846891 -0.00169289 0.00094526 -0.00524233 +C 2.27866732 6.12041243 5.95411155 0.00887237 0.00724376 0.00162133 0.06480113 0.03056841 -0.01427403 0.00312215 0.00084397 -0.00338350 +H 0.83623963 5.85282468 4.87743047 -0.00050752 0.00843211 -0.01288128 -0.07163131 0.04316022 -0.04198181 -0.01576528 0.00533752 0.01757848 +C 2.81382253 6.43470520 7.18895270 -0.00362301 -0.00027551 0.00443101 -0.02135842 0.00529370 0.05329699 -0.00104471 0.00152359 0.00730589 +H 2.75221574 5.48061194 3.92826640 -0.00485356 0.00243657 0.00755839 0.05484330 0.05593549 -0.00403654 0.00825583 0.00570375 -0.02004094 +C 4.18953422 6.68456254 7.39148347 -0.00184702 -0.00302048 0.00475285 -0.00523242 -0.00900388 0.02784886 0.00082631 0.00032613 0.00455520 +H 2.15693819 6.51576401 8.05871335 -0.02448964 -0.00493385 -0.00435276 -0.12319457 -0.00686959 -0.06521699 -0.01318128 0.00414719 0.00089989 +C 5.09081816 6.62171590 6.28554762 0.00567855 0.00276896 -0.00092509 -0.00166467 -0.00246500 0.00372417 -0.00653345 -0.00336894 0.00331728 +H 4.42836417 7.03254888 8.34510871 -0.00054387 -0.00564209 0.02816825 0.07416244 -0.09447371 0.07115618 0.01375854 -0.02287383 -0.02533089 +C 4.52527858 6.13068485 5.10251993 0.00849094 -0.00486064 0.00211895 0.05785789 -0.03203952 -0.03024702 0.00531394 -0.00338460 -0.00850041 +N 6.41959755 6.96482786 6.37636413 -0.00356348 0.00465273 0.00381176 -0.02397841 0.04726411 0.06374643 -0.00122783 0.00800983 0.00978695 +C 3.18356993 5.88130614 4.87382709 0.00125286 -0.00648767 -0.00271625 -0.00383245 -0.03616840 0.01672525 0.00319678 -0.00289543 0.00652025 +H 5.07001448 5.96978960 4.16906658 -0.00434475 0.02431733 -0.00647821 0.12538945 0.14316170 0.01731393 0.03704842 0.00867422 0.00060870 +C 7.44540422 7.09528967 5.58569204 -0.00563290 0.00206058 -0.00081307 -0.02486973 0.01297662 -0.02523149 -0.00195059 0.00150583 -0.00570013 +H 6.56651918 7.30930381 7.33976896 0.02463400 0.00897244 -0.00114579 0.18313644 0.04432503 -0.03118700 0.01911040 0.01065049 0.01973014 +O 7.46272226 6.74197685 4.42599080 -0.00233584 -0.00366038 -0.00845263 -0.01778016 -0.02459184 -0.05716125 -0.00278933 -0.00285222 -0.00645020 +C 8.65748628 7.77165247 6.19194237 0.00052330 0.00149792 -0.00113012 0.00580408 -0.00329076 0.01667501 0.00348661 -0.00461733 0.00197315 +H 8.43293527 8.77136864 6.67355911 0.00244891 -0.02252530 0.01585999 -0.02652968 -0.09261218 0.05700415 -0.01359773 0.01672675 0.01393766 +H 9.11775144 7.22102517 6.97426969 0.01293614 -0.01611711 0.00774571 -0.01124666 -0.12133372 -0.03627198 -0.01670103 -0.00974808 -0.02483706 +H 9.43010983 7.87113220 5.48637041 -0.01461819 0.00770444 0.01732473 0.03172360 0.12680690 -0.07158876 -0.00718790 0.02029843 -0.00549927 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.13488484 5.63464523 5.78866969 0.00165144 -0.00089419 0.00259421 -0.00485438 -0.01173221 0.01101517 -0.00335936 -0.00201422 -0.00171108 +C 2.40225211 5.96382481 5.92067920 0.00422973 0.00085304 -0.00430669 0.00814614 0.00886263 -0.02663920 -0.00314492 0.00112844 -0.00291778 +H 0.92248903 5.71091747 4.90733477 0.00235703 0.00107602 0.00764552 -0.07736299 0.00309338 -0.00338588 -0.01373747 -0.00330402 0.02608062 +C 3.00477599 5.67379924 7.11171178 -0.00157165 0.00700540 -0.00408300 -0.01386874 0.02439219 0.00076076 -0.00129406 0.00159710 0.00182683 +H 2.60706700 6.74736280 3.91176275 0.03058276 0.02005876 0.02238502 0.04482537 0.17718293 -0.04793961 -0.01926195 0.02326042 -0.02749086 +C 4.34892487 6.00804580 7.28075714 -0.00015625 -0.00047579 -0.00180632 -0.00854005 -0.00730818 0.00910659 -0.00183595 -0.00289637 0.00618287 +H 2.43830248 5.09666032 7.84097516 -0.03562500 -0.00381849 0.00590523 -0.04910074 0.12029481 -0.03915604 0.00880351 0.02116551 0.00309412 +C 5.01321200 6.72787456 6.29765116 -0.00363914 -0.00753145 0.00494127 0.02844973 -0.03771127 0.02336140 0.00991861 -0.00339515 0.00108208 +H 4.90330155 5.74468089 8.15090151 -0.01035673 -0.01553682 -0.01064547 -0.07530357 -0.12126760 0.04586456 -0.01488826 -0.00862686 0.00941537 +C 4.38615643 6.99523957 5.08515738 0.00199813 -0.00698255 0.00669744 0.00088842 -0.05432817 0.03512362 -0.00157130 -0.00687387 0.00054614 +N 6.38797441 7.02210029 6.50854787 0.00127415 0.00465400 -0.00519279 -0.02076819 0.01455212 0.00782488 -0.00456364 0.00012994 0.00468541 +C 3.07385712 6.60409617 4.90076033 -0.00679858 0.00070205 -0.00541420 -0.02064219 0.01104971 -0.03711860 0.00231542 0.00290402 -0.00472040 +H 4.96582366 7.33969159 4.27627789 0.00156014 -0.01008071 0.01476076 -0.08992838 0.07682129 -0.01769073 -0.02716195 0.02078491 0.00116928 +C 7.33744976 7.20821968 5.67259072 0.00214279 0.00394200 0.00017088 0.03402340 0.03962422 -0.03916850 0.00505453 0.00575205 -0.00559940 +H 6.73122282 6.95741726 7.46459170 -0.00573518 0.00505877 0.00563123 -0.07174809 0.03177526 -0.00680444 -0.00557411 0.00320626 0.01120694 +O 7.13055347 7.36276479 4.45546813 -0.00357729 -0.00108265 0.00453565 -0.01015225 -0.00833215 0.02934694 0.00043478 -0.00090080 0.00138813 +C 8.78524565 7.29410830 6.14824817 0.00196431 -0.00210804 -0.00496052 0.03550903 -0.00819203 -0.02352846 0.00763391 -0.00126932 -0.00297443 +H 9.36881079 6.77671251 5.40793029 0.01938460 0.01576212 -0.02268672 0.09249548 0.07846809 -0.04974704 0.00358880 0.00932439 0.01271677 +H 9.17626207 8.33734452 6.06392223 0.00311331 0.00893954 0.00671103 -0.07518199 -0.02990904 0.09320890 -0.01459810 0.00657336 0.01543482 +H 9.00125935 6.87613814 7.11815428 0.02939394 0.00000249 0.03368101 0.06588378 0.06112901 -0.03138326 -0.01081123 0.00845740 -0.03327423 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98315896 5.83652732 5.74924554 0.00400348 0.00368919 0.00196460 0.02603856 0.02534420 0.00446008 0.00155131 0.00302060 0.00221179 +C 2.33282836 6.05047597 5.74884714 0.00293270 -0.00181585 -0.00122391 -0.00063448 -0.01817911 0.00907552 -0.00137342 -0.00323960 0.00288125 +H 0.52290762 5.78215377 6.55189053 0.02359960 -0.02277670 -0.01001511 0.14787944 -0.15152990 0.07946349 0.03290513 -0.01374497 -0.00966257 +C 2.97061135 6.03948295 4.52867544 0.00038792 0.00186993 0.00165577 0.00795471 0.00807179 0.00063476 0.00215337 0.00094438 0.00091841 +H 2.51122462 6.36456022 7.93098281 -0.01397064 0.03863065 0.00553470 -0.03553766 0.19129456 -0.12232197 -0.00738698 0.01338833 -0.01176166 +C 4.35905223 6.27992665 4.50508091 -0.00029587 -0.00112504 -0.00075686 -0.01847826 0.01224466 -0.02853601 -0.00338168 0.00364012 -0.00660717 +H 2.35778988 5.90160890 3.61536595 -0.01075985 0.00758505 -0.00808838 0.05216273 0.08420312 0.03829120 0.00699217 0.00943145 -0.00658969 +C 5.14142719 6.49750481 5.64640972 -0.00009721 -0.00181497 -0.00083524 -0.00848373 0.00368342 -0.00742609 -0.00246707 0.00281944 -0.00220233 +H 4.64919082 6.69639305 3.55450287 -0.02056911 -0.00801935 -0.01808748 0.04457786 -0.25453955 -0.08989755 0.03076495 -0.05648087 -0.00345036 +C 4.40229700 6.55050107 6.90163104 -0.00090408 -0.00109938 0.00076038 0.02412663 -0.00532077 0.00561250 0.00525086 -0.00099190 -0.00232629 +N 6.46920366 6.93179629 5.35559136 0.00214101 0.00279420 -0.00032176 -0.01143517 0.01352130 0.00426908 -0.00503078 0.00065018 0.00331494 +C 3.01516823 6.32112967 6.94615810 0.00000113 -0.00505784 -0.00112875 0.00462898 -0.02814812 0.00407755 0.00314467 -0.00221359 0.00021182 +H 4.86069045 6.78546216 7.87931862 0.01406176 0.02925444 0.01684265 0.03561371 0.12960778 -0.12976855 0.00805690 0.01429830 -0.01889513 +C 7.40162945 7.23361024 6.24965416 -0.00780695 0.00273618 0.00722435 -0.02667879 0.00199252 0.03034994 0.00109539 -0.00099137 -0.00063281 +H 6.69730714 7.01936190 4.36479788 0.03033099 -0.03117778 -0.00823680 0.16189165 -0.17504502 0.09134670 0.01325923 -0.01638061 0.01423190 +O 7.27508449 6.88740513 7.42217219 -0.00342863 -0.00277627 -0.00190809 -0.01876603 -0.01085334 0.00065432 -0.00197948 -0.00056982 0.00302995 +C 8.74540298 7.74261291 5.71472262 0.00288453 0.00023553 -0.00281692 -0.00305086 0.02218738 -0.00766095 -0.00360572 0.00274502 0.00154523 +H 9.11455442 8.54030794 6.34086059 0.01435699 0.00454753 0.00469204 0.08001608 -0.04345901 0.02950218 0.00939347 -0.01810174 0.00030957 +H 9.53001251 7.00916893 5.66358973 -0.03032011 -0.00164408 -0.01689540 -0.11414856 -0.14809760 -0.11463527 -0.01630840 -0.01457323 -0.01227117 +H 8.64799312 8.22457319 4.72809600 -0.01107565 0.00262794 0.00352476 -0.08333586 -0.00899678 0.00450993 -0.01070216 0.00190845 -0.00715308 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00534857 5.78186435 5.85055107 0.00538253 -0.00041175 -0.00174971 0.02596139 -0.00351688 -0.00746767 0.00001557 -0.00169842 -0.00148525 +C 2.31154093 6.08133490 5.96625836 0.00311500 -0.00170319 -0.00064947 0.01016695 0.00642697 -0.00451236 -0.00044351 0.00199406 -0.00129397 +H 0.92033611 5.12633247 5.17877046 -0.04140680 0.02236011 0.01482551 -0.29194403 0.05682723 0.00058233 -0.01816568 0.01790163 0.00948973 +C 2.63594818 7.15358529 6.81241491 -0.00521068 -0.00472004 0.00404977 -0.00269487 -0.01978348 0.03277310 0.00510594 0.00121875 0.00626999 +H 2.95528287 4.57017319 4.63058008 0.01975067 -0.00793794 -0.00332516 0.10250574 -0.01929309 -0.09529932 -0.00034032 0.00054031 -0.02110177 +C 4.02031292 7.47958472 6.89275528 0.00407884 0.00376747 0.00213963 0.03340502 0.02067249 0.02582629 0.00380309 -0.00192899 0.00117310 +H 1.91465247 7.61590783 7.36648915 -0.03314921 0.02882026 0.02103413 -0.03258944 0.06656573 0.00096519 0.03927512 -0.02455871 -0.03191642 +C 5.02619590 6.72877691 6.18557553 0.01140826 -0.00268804 -0.00572065 0.04657377 0.00583678 -0.02324068 -0.00061853 0.00513896 0.00032001 +H 4.30626663 8.24835372 7.63802372 0.00635806 0.04045816 0.01636850 -0.00544406 0.05803774 -0.13557702 0.00394688 0.00490236 -0.02396053 +C 4.66006200 5.68641724 5.32863209 -0.00333604 0.00117472 -0.00093659 -0.02976321 0.01128262 -0.00420993 -0.00621721 0.00193917 -0.00035682 +N 6.37108355 6.97051458 6.43962673 0.00080413 0.00003833 -0.00515775 0.02478945 0.00892282 -0.01045880 0.00542091 0.00240678 0.00197322 +C 3.28615126 5.43922376 5.19059012 -0.00635987 -0.00260326 -0.00165290 -0.02835720 -0.04275263 -0.00967631 0.00012777 -0.00783344 -0.00051922 +H 5.47135886 5.07441439 4.88328541 -0.01297270 0.00000131 -0.00077221 -0.14668068 -0.00850657 -0.08253584 -0.01109569 -0.00863454 -0.02632691 +C 7.47347162 6.99587943 5.65052479 0.00552133 -0.00005290 0.00282789 0.00607544 0.00539585 0.00985151 -0.00410803 0.00121746 -0.00125669 +H 6.57924142 7.19448063 7.38051064 -0.01105342 0.01080705 0.01745410 -0.08560017 0.07580866 -0.02259719 -0.00592024 0.01209993 -0.01763180 +O 7.45684469 6.78543619 4.45726997 -0.00051587 -0.00032313 0.00086677 -0.00341872 -0.00741909 -0.00084926 -0.00027737 -0.00169334 -0.00065083 +C 8.76096387 7.46225720 6.27638848 -0.00735969 -0.00127089 0.00519318 -0.04627316 -0.00107447 0.02892829 -0.00491036 0.00263746 0.00504186 +H 9.57132990 7.54521919 5.53904403 -0.01705682 -0.00372730 -0.00099762 -0.07304813 -0.08642691 0.01302638 0.00137563 -0.02200160 0.00173245 +H 8.63038343 8.39453330 6.75019293 0.00991383 0.00311107 -0.02298289 0.02325660 0.14231654 -0.10534445 -0.00203428 0.00272661 -0.01373135 +H 8.99857529 6.78423118 7.08928536 -0.03093120 0.01370966 -0.01848670 -0.06323617 -0.06897291 0.03994028 0.00830323 -0.01481774 0.01818258 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.05649598 5.78792327 5.94101026 -0.00318153 0.00058441 -0.00120804 -0.04020319 -0.00250375 -0.01495849 -0.00748404 -0.00126083 -0.00284538 +C 2.38010813 5.91854493 5.97873917 -0.00270213 0.00154002 -0.00637897 -0.02111503 0.02242385 -0.03463935 -0.00353420 0.00374261 -0.00069443 +H 0.69714761 5.98236790 5.11443417 -0.01162501 -0.00109558 -0.01698447 -0.05116139 -0.02377686 -0.00734845 -0.00599844 -0.00424087 0.00824419 +C 3.06236422 5.57091662 7.14726336 0.00309915 0.00542300 0.00063079 0.01283573 0.03909211 -0.01571449 0.00298590 0.00605521 -0.00563685 +H 2.30424598 6.80700865 4.05470288 -0.01879073 -0.00265930 -0.00992025 0.10452540 0.00836317 -0.02616882 0.03857833 0.00614888 0.00068937 +C 4.39895534 5.82382530 7.11995402 0.00905512 0.00295000 0.00532974 0.07621421 -0.00593141 0.07058769 0.00927022 -0.00259431 0.00863593 +H 2.56373096 5.10023256 8.01607109 0.01887653 -0.00088006 -0.00126161 0.08995744 -0.01143916 -0.04269451 -0.00561606 -0.00725604 -0.00002857 +C 5.04199244 6.49262781 6.12260808 0.00790934 -0.00745566 -0.00193302 0.05036832 -0.02875504 -0.04613631 0.00271653 -0.00235339 -0.00814448 +H 4.98469211 5.41277508 7.96719909 0.01142638 -0.03300895 0.00049131 0.03330000 -0.08535626 -0.02635532 0.01603320 -0.00213887 0.01865684 +C 4.32920023 6.90421361 4.96606825 -0.00392759 0.00121655 0.00424387 -0.01593254 -0.00240043 0.01657846 -0.00060209 -0.00220010 0.00164982 +N 6.42039538 6.66435432 6.27594271 -0.00954567 -0.00251477 -0.00615846 -0.03006284 -0.03526815 -0.03181550 0.00299001 -0.00590394 -0.00381036 +C 2.97019147 6.57224817 4.86005132 0.00389109 0.00072869 0.00265284 0.00095286 0.00001961 0.02797484 -0.00290199 -0.00001545 0.00370269 +H 4.80858106 7.31986390 4.05712364 -0.02620084 -0.00499587 -0.00716739 -0.10227481 0.04713342 0.05116534 0.00829433 0.02493892 0.00361532 +C 7.39153833 7.31170866 5.62082790 0.00099396 -0.00273303 0.00211452 0.00264793 -0.00046280 0.02126502 -0.00120669 0.00268527 0.00306384 +H 6.84295450 6.08506520 6.99896223 -0.01752723 -0.00382885 0.01368546 -0.18315059 0.05982371 0.05797993 -0.01982206 0.00851872 0.01726658 +O 7.20913040 8.06624615 4.66880329 -0.00385552 -0.00087322 0.00055558 -0.02364072 -0.01295422 0.00449965 -0.00263834 -0.00295985 0.00104235 +C 8.77897441 7.24338687 6.33292523 0.00316409 0.00665780 0.00067107 0.01881861 0.03188738 -0.00831288 0.00321145 0.00431950 0.00037484 +H 9.45735571 7.97178016 5.93871341 0.00990817 -0.00625885 0.03346849 0.11179159 0.05273905 0.05053502 0.00436642 0.00333826 -0.01475646 +H 8.67641181 7.57251367 7.33423774 0.01490832 0.00403903 -0.02385264 0.01880891 0.03775506 0.07756105 -0.00887619 -0.00304257 0.00843758 +H 9.31377942 6.30641999 6.29760660 0.00737633 -0.01100885 0.02012183 -0.07767785 -0.01557990 0.09685953 -0.02627748 0.00790542 0.00427318 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97217984 5.61979650 5.83014805 0.00492692 0.00068044 -0.00171802 0.03077300 0.02752699 -0.01025910 0.00379443 0.00542875 -0.00116736 +C 2.31470205 5.97237409 5.89409110 -0.00299717 0.00451759 0.00426946 -0.01307531 0.01709512 0.03573396 0.00179269 0.00022342 0.00562380 +H 0.39740183 6.36274427 5.88215835 -0.00855708 0.02115333 -0.02749446 0.05419911 -0.00590435 -0.22188888 0.00606785 0.00088908 -0.03774684 +C 3.19575570 5.01187911 6.45503537 -0.00628738 -0.00401187 0.00354491 -0.02799771 -0.02402800 0.01484760 -0.00215778 -0.00111322 -0.00104943 +H 2.47514779 8.07993671 4.96797066 0.02080002 0.02403190 -0.00336214 -0.11028680 -0.05017350 0.02084657 -0.03956160 -0.04201919 0.00779528 +C 4.60122533 5.20644354 6.39878966 0.00096727 -0.00525298 -0.00051953 -0.02600955 -0.04208386 0.00768854 -0.00693840 -0.00698544 0.00364269 +H 2.86688233 4.08073731 6.95698726 -0.00752649 -0.01592073 -0.01932182 -0.11157205 -0.04778876 -0.21474352 -0.02461313 -0.01103064 -0.02698325 +C 5.14053076 6.39005567 5.95399774 -0.00016684 0.00178813 0.00774187 0.01416015 -0.01356684 0.04867947 0.00328228 -0.00615052 0.00590518 +H 5.27960558 4.43148049 6.70223945 -0.00636093 0.00448863 -0.00107969 -0.04648615 -0.07024979 0.07461851 -0.01399070 -0.01377970 0.01280968 +C 4.27014431 7.35645422 5.40723668 0.00135405 -0.00381583 0.00477273 0.02540155 -0.00611878 0.03694188 0.00574208 0.00049723 0.00606075 +N 6.54291139 6.37311513 6.04778763 0.00313642 -0.00134895 -0.00156530 0.01395552 0.00781426 -0.01254057 -0.00069666 0.00449117 -0.00200785 +C 2.87110326 7.20402617 5.42121202 0.00142496 -0.00463146 -0.00527653 0.02374770 -0.02590958 -0.04092255 0.00398813 -0.00217392 -0.00542991 +H 4.65415029 8.28731771 5.00410358 0.02910807 0.00234251 0.00734710 0.11104993 -0.07077906 0.07138084 0.00073072 -0.00688831 0.00571179 +C 7.37296791 7.41706411 5.84419270 -0.00203600 0.00533481 0.00254054 -0.03612167 0.03383105 0.01700884 -0.00640967 0.00403403 0.00223241 +H 6.96367373 5.52049462 6.40871895 0.00471587 -0.01552601 0.00252344 0.01026200 0.01984653 -0.06945371 0.00842795 0.00479474 -0.01511168 +O 6.99310983 8.54106270 5.59688375 0.00107001 0.00513393 -0.00358876 0.00218753 0.04461588 -0.02984025 -0.00051316 0.00731102 -0.00466194 +C 8.80393811 7.24044865 6.05891180 -0.00474541 0.00114626 -0.00537468 -0.01711730 -0.02562318 0.00077134 0.00043373 -0.00602986 0.00219051 +H 9.08815581 7.84218503 6.92588880 -0.00437059 -0.02172045 0.00958786 0.03719953 -0.05923852 -0.00540029 0.01490776 0.00473091 -0.00657240 +H 8.94248502 6.21109847 6.44922042 0.01326153 -0.00777727 -0.01785253 0.09938778 -0.01445574 -0.19865890 0.01294678 -0.01542097 -0.02899115 +H 9.44105370 7.38497785 5.19250199 -0.03105194 -0.00592403 0.01623356 -0.08149236 0.07466727 -0.08478928 -0.00413492 0.02499656 -0.01898306 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96172319 5.73687158 5.63633820 -0.00334701 -0.00194539 0.00261526 -0.00729719 -0.02559399 0.02147295 0.00012072 -0.00274501 0.00379445 +C 2.27401522 6.08998424 5.81040638 -0.00006082 0.01078727 0.00818998 -0.00624324 0.06587704 0.04979764 -0.00131787 0.00255160 0.00521135 +H 0.28879323 6.36478000 5.85054861 0.00211494 -0.01451384 -0.04982122 -0.02860934 0.03082954 -0.32522580 0.01855601 -0.00630669 -0.04245993 +C 2.59794940 7.45521188 5.92560727 -0.00621569 0.00075134 -0.00850888 -0.02938288 0.02105461 -0.04519246 -0.00000678 0.00695355 -0.00301382 +H 3.06841545 4.16378537 5.97688797 -0.01514897 0.00990183 0.02170141 -0.04621791 -0.01482686 0.05423730 0.01252731 0.00581209 -0.00964707 +C 3.95256229 7.84732348 6.05099281 0.00339864 -0.00939473 0.00172902 0.00604327 -0.04054014 0.00281899 -0.00378818 -0.00019989 -0.00193532 +H 1.79019512 8.16242914 5.92755851 -0.01682813 0.00995048 0.02198720 0.01070136 0.04596545 0.06306060 0.01570774 0.00445311 -0.01042233 +C 5.04524544 6.94014442 6.05767418 -0.00144316 0.00161311 0.00842788 -0.02743232 -0.02131573 0.05841466 -0.00331839 -0.00773751 0.00752399 +H 4.16367845 8.90056917 6.14689921 0.00271212 -0.01556983 -0.03442222 0.02693232 -0.03500802 -0.19611639 0.00473616 -0.00009545 -0.01427915 +C 4.68765629 5.56619795 6.07139610 -0.00469078 -0.00091439 -0.00737832 -0.00885852 -0.00934270 -0.05322778 0.00033051 0.00242627 -0.00725719 +N 6.32401398 7.42335927 6.19130524 0.00080405 -0.00205734 -0.00014481 0.01948401 0.00256414 -0.00131010 0.00281456 -0.00066017 -0.00136371 +C 3.31440672 5.18462873 5.91634975 0.00923192 0.00154334 -0.00074741 0.04160029 0.00176069 0.00475040 -0.00258636 -0.00097628 0.00212606 +H 5.47227647 4.73586037 6.16915532 0.00846697 -0.00868591 -0.00688071 -0.08021070 0.10147458 -0.06874733 0.01413558 -0.01067455 -0.00870942 +C 7.51960014 6.88953663 5.80957876 0.00496524 0.00272997 -0.00267380 0.00303354 -0.02680231 -0.00778927 -0.00295613 -0.00826918 0.00098689 +H 6.36466292 8.35632438 6.61067149 -0.00880488 0.01800007 0.00996538 -0.00006502 -0.03681876 -0.04847258 0.01254795 0.00591685 -0.00889400 +O 7.65264615 5.69804729 5.43278266 -0.00048227 -0.00563353 -0.00264247 -0.00366768 -0.01250820 -0.01722219 -0.00050394 0.00162184 -0.00234508 +C 8.72710839 7.71426853 6.05472085 0.00182468 0.00361986 0.00513743 0.02111032 0.02987221 0.02150859 0.00203546 0.00451407 -0.00054413 +H 9.38574578 7.69012420 5.18221021 0.00876202 0.01655515 0.00480051 0.02215193 0.12398157 0.04489545 0.00262719 0.01544997 0.00294698 +H 8.41629891 8.75507026 6.28155217 -0.00393574 -0.00969946 0.00004980 0.02460306 0.00208374 0.04151484 0.00513918 0.01902778 0.01331953 +H 9.31637545 7.23663854 6.90892241 -0.01126232 0.01501862 -0.01469486 -0.02445715 0.10641722 0.01524117 0.01930830 0.00220365 0.03717785 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.93120531 5.83362450 5.85189908 -0.00468804 -0.00314222 0.00255584 -0.00963352 -0.01102134 0.02333240 0.00134845 -0.00129837 0.00236116 +C 2.28537771 6.15236789 5.97407112 -0.00037189 0.00808754 0.00205428 -0.02484593 0.01643829 -0.01639258 -0.00753929 -0.00285720 -0.00543372 +H 0.76382240 5.33551984 5.10853138 0.00509791 -0.01273633 0.00792719 0.00457706 -0.10354780 0.05171246 0.00080692 0.00203347 0.03221608 +C 2.78536943 7.07500358 6.86899726 -0.00060170 -0.00283709 0.00288380 -0.05773097 -0.00172889 0.04093187 -0.01215153 0.00067520 0.00618431 +H 2.99045175 4.81387783 4.35687315 0.00612885 0.00806685 0.00919815 -0.10367330 -0.06646059 0.01692885 -0.03025658 -0.01620884 0.00322999 +C 4.11748016 7.38100953 6.94537951 -0.00744279 -0.00733620 -0.01120023 -0.03313533 -0.01916234 -0.04299662 -0.00237808 0.00109559 -0.00249735 +H 2.02997559 7.57779750 7.48482767 -0.01313881 0.00686750 0.01641426 0.06141604 -0.00045056 0.07138615 0.00571762 0.00588681 0.01918910 +C 5.01941782 6.73422715 6.13102914 -0.00386575 -0.00267827 -0.00284086 0.01868451 0.01526158 -0.00435505 0.00831543 0.00598361 0.00076624 +H 4.42465227 8.11296700 7.70083172 0.02406539 0.02030279 -0.01848520 0.05706160 0.01739819 -0.23253442 -0.00562034 0.00489574 -0.02109626 +C 4.59107658 5.81162164 5.21683628 0.00483537 0.00591607 -0.00014494 0.01294179 0.01363825 -0.01166989 -0.00424177 -0.00446399 -0.00471411 +N 6.32596158 7.21710007 6.28795606 0.00311349 0.00020006 0.00299903 0.01340984 0.00040056 0.01800099 0.00171081 0.00015948 0.00186429 +C 3.24044866 5.51233857 5.14349504 -0.01089480 -0.00130462 -0.00286287 -0.05595927 0.00101225 -0.02364218 -0.00233472 0.00178593 -0.00393698 +H 5.40716896 5.37978894 4.65614430 -0.02265785 -0.01519642 0.00781218 -0.15901476 -0.18300229 -0.10202940 -0.01742130 -0.01818910 -0.02141919 +C 7.48384529 6.95325277 5.67392253 0.00789401 0.00149507 0.00495691 0.03135616 -0.00752436 0.02716825 0.00064614 -0.00328534 0.00230225 +H 6.36806868 7.94898548 6.97333389 0.00089862 0.01117896 -0.00510221 0.04787190 0.04679068 -0.03631572 0.00955141 0.00038465 -0.00417502 +O 7.60960849 6.08483334 4.79177435 0.00627061 0.00056769 0.00109366 0.04872526 0.01568430 0.01694459 0.00730872 0.00356872 0.00364530 +C 8.64165374 7.78473729 6.18892229 0.00466886 0.00052293 -0.00024958 0.03607010 -0.00172405 -0.01822321 0.00739178 -0.00222053 -0.00234027 +H 9.43673666 7.08867901 6.26745799 -0.00716076 0.00469275 -0.03847601 0.11776250 -0.00938581 -0.24403214 0.01440327 0.01318167 -0.02018982 +H 8.84245190 8.53005529 5.40954199 0.01364269 0.01237319 -0.00492226 0.08190597 0.08176365 0.11990092 0.00391140 0.01711799 0.02909872 +H 8.55636160 8.14289732 7.17665272 -0.00640246 -0.01969394 0.01425211 -0.04941258 -0.05584352 0.05157169 0.00419498 -0.00819006 -0.02287419 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94035048 5.71541555 5.96913338 0.00600562 0.00322380 -0.00105402 0.03980801 0.02691127 -0.00841127 0.00400213 0.00453026 -0.00140948 +C 2.23207045 6.15147652 5.87686347 -0.00019056 -0.00076204 -0.00328806 0.01521990 -0.01595199 -0.00884006 0.00717416 -0.00359300 0.00104530 +H 0.98651274 4.74299774 6.03741745 -0.00216816 0.01504993 -0.01064420 -0.09625431 0.03300463 -0.07100823 -0.02048970 -0.01164730 -0.00880014 +C 2.55148392 7.51217989 5.83340061 0.00429882 -0.00432129 0.00005281 0.03187579 -0.02152508 -0.01043191 0.00231689 -0.00141038 -0.00276154 +H 3.07613047 4.14639785 6.19859358 -0.01517641 -0.02774560 -0.00054551 -0.05070545 0.05345603 -0.11762055 0.00288778 0.01408429 -0.02469445 +C 3.94115069 7.88361685 5.77671682 -0.00032531 -0.00409437 0.00314435 -0.00046923 -0.02128523 0.01692831 0.00129866 -0.00348616 0.00189413 +H 1.77534335 8.21408301 5.78465537 -0.02002133 -0.00073196 -0.00044340 -0.00429112 -0.02508999 0.01695072 0.02973400 -0.01323909 0.00478301 +C 5.00643668 6.95546142 5.78476725 0.00104673 0.00105042 -0.00034606 0.02194771 0.01227695 -0.00077660 0.00109863 0.00233379 0.00041618 +H 4.22598324 8.96559614 5.66846208 0.01468757 -0.02671989 0.00537536 0.01568848 -0.07483933 0.07766274 -0.00681327 0.03143133 0.01355858 +C 4.63118046 5.59097912 5.83010079 0.00605555 0.00660558 0.00202707 0.02647129 0.03366970 0.02554303 0.00312462 0.00105301 0.00424241 +N 6.38997320 7.45399577 5.86594078 -0.00569071 -0.00021447 -0.00312051 -0.08489295 0.01890500 -0.01634863 -0.01278611 0.00523430 -0.00158099 +C 3.25816895 5.19816621 5.96288985 0.00479554 0.00150468 0.00560528 0.04674771 -0.00308031 0.03471093 0.00696209 0.00039067 0.00327373 +H 5.37660251 4.82594239 5.96085781 0.00252361 0.01586219 -0.03194367 0.06949536 0.03877585 -0.21400868 0.00462313 0.00237420 -0.02159285 +C 7.55775175 6.88862735 5.92623656 -0.00613569 -0.00250733 0.00259175 -0.03689280 -0.02142320 0.01803277 -0.00618035 -0.00088355 0.00214229 +H 6.37326755 8.45181349 6.05981417 -0.01008100 -0.00602515 -0.02177211 0.00714348 0.03513292 -0.16475571 0.00511001 0.01558906 -0.02293894 +O 7.62615940 5.70602732 5.73895550 -0.00506382 0.00741028 0.00231336 -0.02666977 0.01749428 0.01205713 -0.00255482 -0.00378172 0.00102391 +C 8.83635101 7.63872793 6.25824351 0.00087534 -0.00649108 -0.00244335 -0.00159789 -0.06093486 -0.01489265 -0.00400632 -0.00628291 -0.00319812 +H 8.95811099 8.39999558 5.51780998 -0.01813980 -0.00124911 0.01532888 -0.04811884 0.09754514 0.09040370 0.00049690 0.00596509 0.02086225 +H 8.86571564 7.95044772 7.31454489 -0.02441226 -0.01561738 -0.00636393 -0.16281370 -0.02197330 -0.04536178 -0.01291060 0.00250251 0.00047507 +H 9.67078727 6.88917133 6.20680523 0.01275007 -0.01120215 -0.01312383 0.01006211 0.06724439 -0.12115618 0.01159678 0.00986498 -0.01762141 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04779760 5.65527923 5.88350050 0.00486048 -0.00180647 -0.00261412 0.02066249 -0.02026463 -0.01508909 0.00070732 -0.00097677 -0.00047624 +C 2.32732833 6.08885833 5.94869074 -0.00038682 0.00297947 0.00276363 -0.00378652 0.02126823 0.00510999 0.00032724 0.00436016 -0.00099477 +H 1.00097608 4.74036835 5.57644007 -0.01720261 -0.01548682 -0.02520784 -0.09573120 0.08519713 -0.11485573 -0.00980165 -0.00561925 -0.02634272 +C 2.67542732 7.36578614 6.39859090 -0.00095506 0.00448883 0.00070480 -0.04704463 0.05955878 0.02620373 -0.00843084 0.00572531 0.00402379 +H 3.06587198 4.21855657 5.17350120 0.00312013 0.03874926 0.00348580 -0.00878237 0.05748509 -0.12600493 0.00068313 -0.00343102 -0.02793561 +C 3.97929090 7.87564608 6.42728356 -0.00121228 -0.00680871 -0.00092297 -0.01766511 -0.04820547 -0.00172643 -0.00609363 -0.00561066 0.00027016 +H 1.89410457 8.07478605 6.79202021 -0.02791389 0.01512731 0.02305787 -0.01021646 -0.10349908 0.03242942 -0.01597056 -0.00110504 0.00777261 +C 4.96822948 7.00808336 5.94749196 -0.00904574 0.00178172 -0.00072209 -0.01230835 0.02966360 -0.00021515 0.00661509 0.00144041 -0.00103145 +H 4.28117161 8.84256674 6.90187460 -0.00365194 -0.00394306 -0.00878075 -0.11016972 -0.04857405 -0.10701170 -0.01410500 0.01473492 -0.00700470 +C 4.63690140 5.76675245 5.41293246 0.00552150 -0.00195329 0.00803587 0.01778314 -0.06127800 0.04405096 -0.00128248 -0.00894547 0.00681723 +N 6.27623525 7.51393727 6.10403724 -0.00153807 0.00055264 -0.00184600 0.00318831 -0.01792322 -0.02961252 0.00375253 -0.00636458 -0.00657923 +C 3.28903520 5.25364255 5.42147554 -0.00043786 0.00239851 -0.00016682 0.04093567 0.04659321 0.01544079 0.00897509 0.00761592 0.00339809 +H 5.39503097 5.04378490 5.04298196 0.00346043 -0.03738554 0.00495173 -0.05289793 -0.04223189 0.10307632 0.01097776 -0.00120857 0.01018446 +C 7.42912363 6.86235665 5.86168537 0.00672459 -0.00709489 -0.00768777 0.04770346 -0.03237582 -0.03625224 0.00315516 0.00302334 -0.00059177 +H 6.42507765 8.49293420 6.32694103 0.01708064 0.00306994 0.00547447 0.00182306 -0.06164047 0.06681518 -0.01378816 -0.01028488 0.01420418 +O 7.60405658 5.69895943 5.43538241 -0.00143680 0.00664283 0.00078553 -0.01942146 0.03486050 0.00196406 -0.00325916 0.00046118 -0.00133806 +C 8.72995001 7.59668713 6.11996213 0.00136354 -0.00221746 0.00302929 0.00749417 0.00437594 0.00855935 0.00125199 0.00015778 0.00178231 +H 8.50502234 8.54670179 6.62278786 -0.01170818 0.00740370 0.00445438 0.00825746 -0.00717449 -0.03153075 0.01065626 0.00025332 -0.00442983 +H 9.52592976 7.12847861 6.63510270 0.00494635 -0.00492986 -0.00554219 -0.02870421 -0.12750900 0.05629746 -0.02751151 -0.01116539 0.00343788 +H 9.22442739 7.74531210 5.11687714 -0.01982925 -0.01047917 -0.00720119 -0.16213378 0.03178653 0.01170121 -0.00661265 0.02190403 -0.01259598 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98806016 5.85961200 5.88130894 0.00395936 -0.00140503 0.00035340 0.01470045 -0.01388265 0.00554502 0.00051309 -0.00133178 0.00191509 +C 2.31752005 6.07192479 5.96960970 -0.00161875 0.00357404 0.00457928 0.00413316 0.02799249 0.02394767 0.00262632 0.00331795 0.00163431 +H 0.70051301 5.07935110 5.36386965 -0.00203422 -0.00179405 0.01529001 0.03532972 -0.05004888 0.09335899 0.00680504 -0.02932575 0.00078180 +C 2.71849772 7.29043841 6.55448741 -0.00073757 0.00576013 -0.00015270 -0.02266568 0.01999662 -0.00948686 -0.00489063 -0.00050416 -0.00252661 +H 2.98062305 4.19942415 4.90734246 -0.00487377 0.00387305 -0.02810135 0.01734373 0.27301374 -0.10257382 -0.00607053 0.01164241 -0.02329257 +C 4.03414222 7.71926132 6.56702933 -0.00516990 -0.00957020 -0.00339048 -0.01277638 -0.05271987 -0.03518642 0.00542913 -0.00459830 -0.00660455 +H 1.92425909 7.99852297 6.91477998 0.01772335 -0.01882864 -0.01601679 -0.00206617 -0.00760593 0.00573667 -0.02683915 0.02639550 0.02224803 +C 4.99813262 6.93334338 5.94738576 0.00980446 -0.00711337 -0.00457174 0.04720091 -0.06675597 -0.05023948 0.00020144 -0.00820700 -0.00711011 +H 4.14603509 8.72469235 6.86825196 0.01816256 -0.00460883 -0.00295098 0.19229828 -0.09289170 0.05253375 0.02158752 -0.03493119 0.01097155 +C 4.60685345 5.69482774 5.27183656 0.00000522 0.00355416 -0.00440821 0.01064246 0.02093392 -0.01469536 0.00144252 0.00087795 0.00105968 +N 6.28900045 7.45310181 5.83205940 -0.00423919 0.00013281 -0.00204115 -0.01211874 -0.00861791 -0.00954294 0.00021036 -0.00015848 -0.00040400 +C 3.26009132 5.22969796 5.33723717 0.00369717 0.00666141 0.00555382 0.02521404 0.04145860 0.03329327 0.00394912 0.01032260 0.00530586 +H 5.35200386 5.10194466 4.67455186 0.00079803 -0.02399776 0.02129343 -0.04396710 -0.08008933 0.19364901 0.00981026 -0.01396019 0.00924244 +C 7.51022158 6.84608755 5.82546376 -0.00172538 0.00540268 0.00110139 -0.03988650 0.04084860 0.01624705 -0.00723507 0.00258154 0.00309317 +H 6.36134445 8.45253627 5.94376961 -0.01772827 -0.02481407 0.00597966 -0.11468196 0.01875670 0.05739769 -0.01102244 0.00716022 0.00549486 +O 7.66290492 5.64505232 5.77576904 -0.00409676 -0.00031687 0.00001572 -0.02324861 -0.00111088 -0.00148062 -0.00281049 0.00165470 -0.00032340 +C 8.66860875 7.81920989 6.04017228 -0.00400714 0.00064219 0.00196936 -0.01439313 0.00305545 0.00334637 -0.00029799 0.00174216 0.00068905 +H 8.35181666 8.78453386 6.38522755 0.02078059 -0.00722742 0.02343848 0.05148991 -0.00486178 0.17117457 -0.00155632 -0.00820157 0.01043787 +H 9.35551077 7.42808249 6.80463251 0.00963390 0.00434663 0.00528970 0.05125457 -0.00028199 -0.10616894 0.00512552 -0.01330137 -0.02278866 +H 9.04871870 8.05986202 5.03648216 0.01566911 -0.00764517 -0.00982867 0.14723219 -0.11304250 0.09350882 0.02110611 -0.01432742 0.02038961 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96493611 5.72242385 5.74094900 -0.00422520 -0.00641722 0.00382825 -0.01424586 -0.02680585 0.02254473 0.00103351 -0.00158779 0.00284090 +C 2.27785900 6.15143671 5.80290099 0.00166052 -0.00165994 -0.00296271 0.01902290 -0.02632923 -0.02060599 0.00153615 -0.00217737 -0.00283667 +H 0.74891175 4.88266091 6.17233561 -0.00220304 0.00823552 -0.00491531 0.02232271 -0.05513240 -0.00045883 0.00887385 -0.01708947 0.00136242 +C 2.62222939 7.50592948 5.85117800 0.00366727 0.00492215 -0.00629091 0.01817188 0.03375783 -0.02936709 0.00073673 0.00094837 -0.00099079 +H 3.12565308 4.13490130 5.71035606 0.01479111 -0.00499163 -0.00912968 0.09096752 0.02759562 -0.05363968 0.00294212 0.00383052 -0.00539569 +C 3.96353166 7.90336658 6.06166891 0.00329139 -0.00111091 0.00334634 -0.00295960 0.02231323 0.00635672 -0.00217733 0.00572407 -0.00197404 +H 1.89543569 8.32121354 5.73827618 -0.00305749 0.00794876 0.03027697 -0.02916295 -0.04798290 0.19493323 -0.01102100 -0.00847593 0.01692617 +C 4.97205706 6.95427224 6.07089558 -0.00275768 0.00775449 -0.00234457 0.02798216 0.01904667 -0.02138851 0.00943836 -0.00229763 -0.00321417 +H 4.13413712 8.97118014 6.07476433 0.00746254 0.02048830 -0.01166299 0.07720411 -0.02862755 -0.00657969 0.01160609 -0.01006116 0.01242260 +C 4.69753917 5.57835450 5.87541107 0.00403182 0.00116990 0.00196636 0.01981255 0.01030772 0.01331149 -0.00128509 0.00317096 0.00123107 +N 6.28794062 7.41720379 6.05038612 0.00204408 0.00012660 0.00277563 0.01461792 0.02814918 0.00592888 0.00233833 0.00515780 -0.00164416 +C 3.36523635 5.19014408 5.79542638 0.00258993 0.00391990 0.00050683 -0.00968165 0.01945745 0.00166587 -0.00186442 0.00107052 -0.00020103 +H 5.46400572 4.80422483 5.80243824 0.00435302 -0.02870388 -0.02649069 -0.07374727 0.00321304 -0.10663111 -0.00465299 0.01618463 -0.00174504 +C 7.47517757 6.82097738 5.91531274 -0.00108217 -0.00835172 -0.00535680 0.01853887 -0.02118588 -0.02504265 0.00330693 0.00256684 -0.00047605 +H 6.41587883 8.42055334 6.01960044 -0.01340163 0.02200025 -0.02050994 -0.11492619 -0.01094172 -0.09631087 -0.00853982 0.00036222 -0.00701592 +O 7.62949861 5.61418551 6.04763784 -0.00374983 -0.00365986 0.00239235 -0.01823925 -0.03071520 0.01126248 -0.00121451 -0.00479720 0.00066787 +C 8.75982580 7.79540660 5.72593648 -0.00092496 0.00015453 -0.00240262 -0.06395315 -0.01797496 0.02377963 -0.01189585 -0.00627075 0.00329299 +H 9.58564914 7.21644071 6.07509540 -0.01868745 0.01462752 0.02368283 0.02207888 0.07855279 0.13301261 0.00277301 0.01398000 -0.00643895 +H 8.95434263 8.03129835 4.73398974 -0.03026664 0.02182906 0.01632102 -0.15709587 0.17581358 -0.05809323 -0.01592749 0.00490849 0.01999285 +H 8.55270559 8.69946330 6.37894101 0.01435485 0.01574300 0.02643993 0.15389588 -0.09006332 -0.01404795 0.01059385 -0.00655787 -0.00136447 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92397868 5.78289700 5.77995691 -0.00226332 0.00500646 0.00077094 -0.02072141 0.02976974 0.00491498 -0.00270882 0.00481418 0.00147865 +C 2.24652957 6.11545521 5.90893189 -0.00826257 0.00477312 0.00404693 -0.01119438 0.04016633 0.02053719 0.00460528 0.00358649 0.00074850 +H 0.69999772 5.02443854 5.28034393 0.00075003 -0.01198484 -0.01856561 0.08775045 0.05521171 -0.02398192 0.01616642 0.00724701 -0.00238976 +C 2.67743815 7.40086320 6.43834290 -0.00347603 0.00012008 0.00499939 -0.02831143 -0.04437808 0.03651117 -0.00498804 -0.00954724 0.00581648 +H 2.99139964 4.27397382 5.04007124 -0.00279038 0.02595857 0.02674046 -0.03020281 -0.00289664 0.05265123 0.00122615 -0.01031575 -0.00595903 +C 4.03671168 7.73446972 6.56971595 0.00158296 -0.01125000 -0.00443032 -0.02971009 -0.06389817 -0.03088739 -0.00816788 -0.00336440 -0.00224030 +H 1.94825801 8.01193155 6.98276381 0.01929662 -0.02200041 -0.01403302 -0.05594214 0.05129477 -0.07183461 -0.02425437 0.02546372 -0.00777226 +C 4.98711641 6.92130391 5.98076566 -0.00745751 -0.00034414 -0.00161268 0.01857278 -0.02096383 -0.01415015 0.01089624 -0.00672904 -0.00314305 +H 4.25850138 8.62897375 7.05674476 -0.01241611 -0.01482649 -0.00932875 0.01326254 -0.00578600 -0.01568461 0.00572503 -0.01620077 -0.01136901 +C 4.63725739 5.66325587 5.41545365 0.00658351 -0.00335719 -0.00458954 0.00816380 -0.00995445 -0.03245385 -0.00201268 -0.00073236 -0.00486394 +N 6.32996010 7.41249130 6.08053115 0.00088106 0.00061107 -0.00342193 -0.02292457 -0.00362044 -0.02819263 -0.00660865 0.00246659 -0.00362801 +C 3.26590431 5.24159656 5.44359549 0.00368107 0.00102019 0.00109097 0.01837982 0.03637694 0.01616364 -0.00094261 0.00768947 0.00298065 +H 5.32357240 5.10983756 4.81374313 -0.02019278 -0.01361470 -0.00427799 0.01898352 -0.16115903 0.05797365 0.01088921 -0.01321439 0.02944104 +C 7.52126582 6.82159141 5.90681922 -0.00394771 0.00210190 0.00422349 -0.00470531 0.03184350 0.01134356 0.00460683 0.00340222 -0.00235445 +H 6.46561013 8.34101041 6.23744562 -0.00669531 0.00700209 -0.00473835 -0.10915243 0.06842770 -0.00191678 -0.02412780 -0.03246389 -0.00460098 +O 7.73305812 5.66854699 5.65050653 0.00556696 -0.00397701 0.00028265 0.03237380 -0.03217796 0.00592107 0.00310277 -0.00274668 0.00199810 +C 8.65583280 7.84561089 5.85727472 0.00797527 0.00696596 0.00149039 0.04577576 0.02477458 0.01355436 0.00162776 0.00020000 0.00433772 +H 8.78970218 8.38442039 6.80020971 -0.01861718 -0.00262102 0.00199722 -0.13888446 0.05183760 0.01066327 -0.01130624 0.01557463 -0.00139590 +H 9.63121883 7.26439415 5.76251658 0.00255448 0.01480519 -0.00705049 0.00878293 0.13297952 -0.07632468 0.02883047 0.00373236 -0.00816371 +H 8.47106508 8.53858646 4.97732654 0.01300366 -0.00790574 -0.00209920 0.13678795 -0.02948762 0.04253982 0.01540619 0.01856122 -0.00783074 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01735144 5.56201786 6.02050999 0.01225716 0.00157193 0.00163164 0.06704741 0.01038519 -0.01231363 0.00660942 0.00052697 -0.00252355 +C 2.31205952 5.97086554 5.94991579 -0.00169349 -0.00298500 -0.00536199 0.01560070 -0.01257253 -0.00203307 0.00852148 0.00020887 0.00452144 +H 0.58595502 5.66053071 5.15104048 0.00823610 0.02080340 -0.00672579 0.05940485 0.11102123 0.05863620 -0.01142219 0.01742777 -0.01614414 +C 2.93913962 6.01186926 7.21594114 -0.00205696 -0.00309806 0.00356246 0.00944920 0.00514524 0.01084204 0.00432192 0.00436818 -0.00241089 +H 2.65972500 6.17700005 3.80553422 -0.00859436 -0.00194422 0.00092392 -0.16084200 0.05010605 -0.04242263 -0.01273660 0.02036295 0.01881162 +C 4.28304970 6.46588981 7.28973501 0.00163059 0.00315844 0.00394757 -0.00134124 0.02309982 0.01689026 -0.00118979 0.00325110 -0.00054455 +H 2.44570359 5.87599792 8.19123480 -0.00629296 0.00586735 0.00956037 -0.07383081 -0.04274146 -0.08128553 -0.01570378 -0.01885734 -0.01465243 +C 5.06640917 6.74390948 6.15366872 0.00262934 0.00953634 -0.00362390 -0.01920330 0.05381043 -0.03959317 -0.00784820 0.00493100 -0.00168749 +H 4.67994019 6.67315583 8.28265120 -0.00410565 -0.01010279 -0.00053724 0.02882867 -0.11590075 0.02817053 0.01165633 -0.01757728 0.00621033 +C 4.42659013 6.63843859 4.82300592 -0.00040634 -0.00506948 0.00135448 0.00092737 -0.02919640 0.04950303 0.00117973 -0.00181325 0.00809508 +N 6.39430515 7.06910481 6.40537521 -0.00074706 0.00110399 -0.00128067 -0.01016831 0.00532746 -0.00014997 -0.00305153 -0.00003392 0.00241529 +C 3.01709892 6.34404690 4.76682773 -0.00401388 0.00132844 -0.00417033 0.00009781 -0.01268073 -0.02049040 0.00196039 -0.00539367 -0.00318932 +H 4.99088827 6.69145442 3.91854902 0.03382531 0.01698891 0.02717036 0.11439649 0.13838094 0.13015531 -0.01964820 0.01276465 0.01434273 +C 7.46995214 7.21493905 5.62426434 -0.00557077 0.00058007 0.00015122 -0.05538653 0.00119262 -0.00638680 -0.00701286 -0.00023969 -0.00176780 +H 6.56850994 7.17879228 7.37277594 -0.00133952 -0.03233403 -0.00154117 0.05090167 -0.21903141 0.01959417 0.00944029 -0.02574169 -0.01322346 +O 7.34085237 7.26888384 4.40371301 -0.00351084 -0.00290794 0.00045206 -0.00986926 -0.01851945 0.00074773 0.00040211 -0.00223105 -0.00059091 +C 8.78206319 7.22221774 6.37053255 -0.00229907 -0.00115478 -0.00356019 -0.01266424 -0.01034933 -0.01200683 -0.00299661 -0.00275176 -0.00199246 +H 8.75370063 7.96491312 7.22945331 -0.02033043 -0.01530404 0.02457067 -0.11588478 -0.22195362 0.02098410 -0.01241490 -0.01916671 0.01118121 +H 8.91572918 6.19174864 6.72743426 0.00330052 -0.02518455 0.01134229 0.07180263 0.05482145 -0.01540211 0.01805533 0.01867319 -0.01426493 +H 9.60039734 7.53276170 5.69706883 0.00723343 0.01971638 0.01171843 0.00395480 0.08054159 0.10624994 0.00039863 0.00911962 0.01140731 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97820338 5.93314534 5.74932237 0.00125287 0.00118396 -0.00120191 0.01141866 -0.02385195 -0.00225594 0.00186445 -0.00525643 0.00020489 +C 2.33356477 6.07392139 5.91078013 0.00037754 0.00366123 0.00225602 -0.03109864 0.05568072 0.01039809 -0.00582601 0.00773501 -0.00061576 +H 0.67819837 5.07159040 6.02633698 0.01927104 -0.03824277 -0.02220032 0.15952405 -0.06385640 -0.24664486 0.01460580 -0.01848423 -0.04141118 +C 2.62496055 7.42819819 6.22782323 0.00008756 -0.00329254 0.00129898 0.02303843 -0.01911210 0.00177545 0.00514358 0.00035482 0.00014913 +H 3.06643584 4.23672423 5.10295561 0.00182648 0.00731489 0.01461213 -0.00882939 -0.09682711 0.14563074 0.00436619 -0.00620318 0.03135801 +C 4.00098823 7.76516387 6.24430294 0.00179016 -0.00584067 0.00031730 -0.01280994 -0.00183080 0.03514668 -0.00335200 0.00339418 0.00834890 +H 1.86304702 8.17287479 6.34871631 -0.00665082 0.02077747 -0.00311108 0.05591401 -0.01217162 0.02881610 0.01738891 -0.02057831 0.01042472 +C 5.01111539 6.87776647 6.00914991 0.00211273 0.00509095 0.00294281 0.01028361 0.00381427 -0.00256272 -0.00080912 -0.00426247 -0.00347846 +H 4.26104868 8.75764210 6.63036514 0.01159765 -0.00657875 0.00460053 0.01984073 -0.01543637 -0.06979218 -0.00488285 0.01927458 -0.01490048 +C 4.66718809 5.58972744 5.56133116 -0.00270437 0.00548059 0.00088707 -0.00487417 0.01320199 0.02186995 0.00091805 -0.00089615 0.00496914 +N 6.27608266 7.41642183 6.03307549 0.00058213 -0.01169080 -0.01050183 -0.00077386 -0.04529080 -0.05750889 -0.00016905 0.00048253 -0.00551273 +C 3.31130448 5.15053041 5.57688681 0.00136811 0.00083795 0.00139958 0.01686103 0.02167258 -0.00170548 -0.00004086 0.00424497 -0.00122352 +H 5.46707991 4.88493740 5.33679913 0.01002297 -0.00472096 0.00475869 -0.05613593 0.03301525 -0.02504212 -0.01014752 0.00155552 -0.01310498 +C 7.46799473 6.85939320 5.95523538 -0.00276300 0.00549317 0.00055859 0.01262839 -0.00243976 -0.00613441 0.00554994 -0.00564103 -0.00231337 +H 6.30013322 8.36820738 6.19345686 -0.00513290 0.01311787 0.01071056 -0.01111039 -0.04782786 -0.02012320 0.00272045 -0.03022312 -0.01844365 +O 7.72667525 5.63637191 5.94172263 -0.00410956 -0.00015656 -0.00014755 -0.03556146 0.01551958 0.00092241 -0.00538654 0.00371484 0.00041592 +C 8.61620241 7.82966571 5.76354260 0.00071881 0.00150925 -0.00075761 0.01138879 0.01085002 0.02205507 -0.00005189 0.00096867 0.00315385 +H 9.56567620 7.38210541 6.22525239 -0.01000077 0.01499239 0.01141195 -0.08193464 0.09056214 0.05760373 0.02102815 -0.00651643 0.02115041 +H 8.80113580 7.92892775 4.69500211 -0.00995925 -0.01390630 0.03946761 0.01686933 -0.06116415 -0.03437199 0.01362183 -0.00152186 -0.02436994 +H 8.50674635 8.86848821 6.15655436 0.01451032 -0.00079523 0.00101804 -0.00305894 -0.03983063 0.02092736 -0.01870080 0.01018133 0.00892657 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.05273810 5.65815338 5.92442347 0.00177940 -0.00219799 0.00014243 0.00534199 -0.00231923 0.00096003 -0.00063284 -0.00172090 -0.00056205 +C 2.32708068 6.10944303 5.83097571 0.00017046 0.00226022 -0.00296170 0.00100579 -0.00345576 -0.01099641 -0.00068009 -0.00159164 0.00098276 +H 0.92571412 4.76342463 5.74719289 0.00011925 0.01502847 0.00776223 0.01423579 -0.05060425 0.00888503 0.00955027 0.01664177 0.00350149 +C 2.68790025 7.35964783 6.33891056 -0.00985382 -0.00605849 0.00140920 -0.06648481 0.02069948 0.02564700 -0.00333674 0.00652037 0.00230345 +H 3.05848003 4.24311922 4.96064545 0.01973695 0.00972431 0.00463423 0.15587554 0.01375774 0.09179989 0.01309302 -0.02341472 0.01407609 +C 3.97830704 7.91348166 6.39359253 0.00094579 0.00332640 -0.00279540 -0.01064748 -0.03335388 -0.01780439 -0.00620761 -0.01096203 -0.00197211 +H 1.93635280 8.09336663 6.80503662 -0.00732946 0.01548715 0.00309647 -0.06489071 -0.11798079 -0.08110490 -0.05222018 -0.00312299 0.00054666 +C 5.00284712 7.00936586 5.98776203 0.00066834 0.00444431 0.00313766 0.00630475 0.03768306 0.01877134 0.00137103 0.00196812 0.00006252 +H 4.17171200 8.85011349 6.98332987 0.00115459 -0.01784451 -0.01794664 0.02354075 0.01859457 -0.18539827 0.00518540 0.03110695 -0.02405385 +C 4.65227683 5.71750775 5.51106633 0.00057270 -0.00052969 -0.00676479 0.00796376 0.00500320 -0.03756656 0.00286030 0.00493310 -0.00152602 +N 6.30689756 7.51489887 6.13321532 0.00447746 -0.00243664 0.00134639 0.02110209 -0.00656150 0.00406626 0.00013383 -0.00070975 -0.00017817 +C 3.33123382 5.23004260 5.40999143 0.00263581 -0.00031429 0.00602826 0.02061892 0.02020412 0.03313853 0.00411991 0.00624041 0.00317798 +H 5.38256372 4.98579487 5.15775991 0.00287692 0.01582398 0.03047652 0.07360697 0.01368020 0.12751620 0.00993008 -0.01553904 -0.00053422 +C 7.44650477 6.85147251 5.89797626 -0.00228523 0.00764879 -0.00410190 -0.00842192 0.00207144 -0.04920943 0.00072025 -0.00551801 -0.00847051 +H 6.44921440 8.51469594 6.25109625 0.00846315 0.01811927 0.01993582 -0.01690605 -0.08399320 0.17401662 -0.00515742 -0.01319364 0.03268545 +O 7.49873944 5.64461647 5.46957771 -0.00044655 0.00139720 -0.00100539 0.00552461 0.04470452 0.00776035 0.00204503 0.00952332 0.00227359 +C 8.72348919 7.67550197 6.03961728 -0.00546473 -0.00985977 -0.00054132 -0.00602994 -0.06220367 0.00954037 0.00271598 -0.00844620 0.00093509 +H 9.05613319 7.76030986 7.10683496 0.02278018 -0.00439290 0.02046096 0.01469930 -0.09578441 -0.09165756 -0.01113133 -0.01715411 -0.00546806 +H 9.47074369 7.13328843 5.45471578 0.02240907 -0.01547096 0.00516420 0.05803787 -0.00512568 0.10484456 -0.00183148 0.00630347 0.01340519 +H 8.67534177 8.71271966 5.65381983 -0.00331944 -0.00083767 -0.00007217 -0.06031347 -0.11500831 -0.00446410 -0.01031721 -0.01391287 -0.00514666 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.90486342 5.84961555 5.89166499 -0.00018604 0.00523688 -0.00346705 0.04106504 0.04421234 -0.02527420 0.00958197 0.00576763 -0.00618324 +C 2.30531755 6.11694573 5.91822720 0.00876383 -0.00211189 0.00592088 -0.01448650 -0.02681830 0.04809158 -0.00873242 -0.00599804 0.00327835 +H 0.67210866 5.49955700 5.06804171 0.03176291 0.00984646 0.00881469 0.10660239 0.00186445 -0.07077656 0.00669625 0.00948462 0.01368426 +C 2.77265460 6.63100319 7.14641761 -0.00140529 0.00175857 -0.00213772 -0.00490156 0.01780775 -0.02823439 -0.00053790 0.00275915 -0.00223893 +H 2.90371841 5.28384999 3.95922191 0.01742032 0.00923086 -0.02560221 -0.00709413 0.14850629 -0.06284822 -0.02158124 0.02126879 -0.00080161 +C 4.15637580 6.82230042 7.27942869 -0.00611770 -0.00049820 0.00665395 -0.03570207 0.00819727 0.05247102 -0.00212337 0.00107542 0.00335584 +H 2.03599664 7.03372935 7.84531435 0.00274960 -0.02148682 0.00547031 0.04897511 -0.22662648 0.10753717 0.00756173 -0.03388825 0.01833184 +C 5.08892542 6.60048058 6.22919945 -0.00333259 -0.00177929 0.00151253 -0.01453462 -0.01104137 0.03336030 0.00001082 -0.00107193 0.00692677 +H 4.33679398 7.26718626 8.30090846 -0.01473370 -0.00717015 0.00733971 0.09642713 -0.07982741 -0.02024354 0.03955542 -0.00197290 0.02107376 +C 4.53454656 6.13072539 5.03463841 0.00157074 0.00140034 -0.00309134 0.02193683 -0.01061260 -0.03900489 0.00399133 -0.00374165 -0.00537009 +N 6.46962914 6.77243719 6.47124746 0.00713979 0.00724072 0.00260151 0.02436376 0.05234227 0.02117348 -0.00286147 0.00652845 0.00216958 +C 3.16170659 5.82749739 4.87159475 -0.00110567 -0.00648201 0.00005459 0.02395959 -0.04402158 -0.00751954 0.00642311 -0.00405110 0.00040694 +H 5.21319868 5.84618198 4.25700354 0.01308832 -0.00225077 -0.02139343 -0.01701723 0.05586978 -0.07528140 -0.01132424 0.01688704 -0.00389910 +C 7.48652525 7.06439711 5.62056260 0.00161766 -0.00410042 0.00010356 0.00286003 -0.02112878 -0.01168017 -0.00060107 -0.00107449 -0.00290848 +H 6.72742562 6.86647949 7.45613788 -0.01029482 -0.00783847 0.01241853 -0.04041779 -0.00812430 0.01478090 0.00882233 0.00975449 0.00633814 +O 7.43922978 6.89850122 4.38923826 -0.00437401 -0.00171225 -0.00290865 -0.03067329 -0.01110338 -0.00689890 -0.00426849 -0.00157284 0.00078155 +C 8.72533570 7.74164967 6.22633079 -0.00686851 0.00193649 -0.00116389 -0.02048277 0.00007323 -0.00516827 0.00062782 -0.00114489 -0.00131393 +H 9.47810487 7.87930576 5.48806674 0.01081127 0.00821937 -0.01569408 -0.04553958 0.07273603 -0.03934675 -0.02917848 0.01214943 0.01108354 +H 8.57052015 8.66588942 6.74645652 -0.00134054 -0.00896913 0.01374670 -0.11757722 0.01118600 0.02543960 -0.02303404 -0.00644056 -0.00954584 +H 9.21356091 7.19400343 7.03482182 0.00565047 -0.01845623 -0.01362389 -0.03512875 -0.18527923 -0.16705305 -0.01087076 -0.02668734 -0.02613510 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99577229 5.71195380 5.81418652 -0.00242162 -0.00402782 -0.00131403 -0.00465361 -0.02238965 -0.00646865 0.00170749 -0.00216364 -0.00051526 +C 2.30961745 6.08375912 5.93972664 0.00543633 0.00040012 0.00011276 -0.00133050 0.00210218 0.00433491 -0.00652332 0.00029276 0.00097803 +H 0.80623691 4.91335534 5.28832333 0.01270777 0.00609163 0.00400119 0.10237433 -0.02183488 -0.02878553 0.01209494 -0.01467279 -0.01326868 +C 2.61273461 7.13333316 6.78819428 -0.01040587 0.00368212 0.00557617 -0.04224217 0.02080651 0.03905719 -0.00103813 -0.00016300 0.00291842 +H 3.05450996 4.64247131 4.55180348 0.00401683 0.00696513 -0.02492809 0.06299575 0.08634217 -0.10154966 0.00603755 0.00013360 -0.01620788 +C 3.97095936 7.49660014 6.96284126 -0.00196616 0.00160906 -0.00481831 -0.02864336 0.00326722 -0.03333805 -0.00513002 0.00214435 -0.00046326 +H 1.83367216 7.63834401 7.38629361 -0.01397741 -0.01660130 0.00023704 -0.10297596 -0.07193356 -0.00143490 -0.01677012 0.00333962 0.00879481 +C 4.99766117 6.84932045 6.25757304 0.00226064 0.00409273 -0.00435165 0.03540942 0.02378344 -0.04031736 0.00461438 0.00454290 -0.00422378 +H 4.24069462 8.30279276 7.58452712 -0.04096616 -0.04643669 0.00876553 -0.17300372 -0.08457045 0.23501659 -0.00662758 -0.00768771 0.01489941 +C 4.67442035 5.81953048 5.34896048 -0.00046689 -0.00280140 0.01115864 -0.02795432 -0.00645216 0.08211597 -0.00217201 -0.00220614 0.00705726 +N 6.36599574 7.14748202 6.43250691 0.00280296 0.00472914 0.00142240 0.01577335 0.03157956 0.01171132 0.00122252 0.00422419 0.00214544 +C 3.33420447 5.44597648 5.24646543 -0.00115328 0.00171258 -0.00315441 -0.01301326 -0.00540205 -0.04221947 -0.00203533 -0.00062705 -0.00630504 +H 5.34063381 5.31987737 4.73132922 -0.01549130 0.02875654 0.02852649 0.13590116 0.01679561 0.06138774 0.00597242 -0.00347410 0.02131024 +C 7.47317488 6.98591319 5.61817932 -0.00468301 0.00002261 0.00238275 -0.02365925 0.00340929 0.01928682 0.00154181 0.00054243 0.00081609 +H 6.55177560 7.44628286 7.37594233 -0.00414335 0.00313392 0.00093126 0.03683184 0.08226199 -0.00551624 0.01155477 0.01858791 -0.00433100 +O 7.43608111 6.62033578 4.43651839 0.00291567 -0.00167829 -0.00527994 0.01415102 -0.00753316 -0.01796311 0.00063224 -0.00008763 0.00151316 +C 8.83595218 7.32136095 6.25480536 0.00923579 -0.00429465 0.00073118 0.05777767 -0.02526009 -0.01661627 0.00423796 -0.00244118 -0.00465193 +H 9.44731891 7.64477363 5.41019055 -0.00455247 0.01526723 -0.03507876 -0.02265186 -0.00195007 -0.02098034 0.00727527 -0.00843093 0.01906438 +H 8.89217268 8.14670231 6.95547026 0.02656088 -0.02481693 0.01565935 0.04949986 -0.09722364 0.08842039 -0.00949603 -0.00870932 0.00213890 +H 9.30098131 6.47751517 6.81292764 0.00981622 -0.00021238 -0.00422157 0.06128659 -0.06545684 -0.14812365 0.01334167 -0.02689784 -0.03188777 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04760323 5.69926662 5.76229614 0.00091049 -0.00147340 -0.00198908 -0.01490319 -0.01681393 -0.00837950 -0.00323476 -0.00322005 0.00196996 +C 2.30790712 6.04477122 5.99909338 0.00025852 0.00418361 -0.00013054 0.01437051 0.02980872 -0.00111988 0.00284371 0.00439163 -0.00093922 +H 0.68537123 5.85491416 4.86700933 -0.01331299 -0.02129070 -0.00580139 0.00245570 -0.11994358 0.00911218 0.00122129 -0.00820522 -0.02539682 +C 3.02892749 5.56386781 7.11672575 -0.00538485 0.00431327 0.00424553 -0.00216248 0.02620699 0.02792979 0.00314564 0.00290916 0.00276491 +H 2.46862597 7.16565873 4.13032599 -0.01951297 0.01074621 -0.01806522 -0.05095887 0.03967283 0.05373242 -0.00329770 0.00900208 0.00688069 +C 4.46231038 5.79902846 7.18664005 0.00140891 -0.00306130 0.00071057 -0.02222925 -0.04054550 0.02223735 -0.00659748 -0.00536861 0.00184464 +H 2.58145540 4.93732042 7.87079281 -0.00514480 -0.00479671 0.00275092 -0.06577035 0.01802604 -0.01652323 -0.01018282 0.01116100 -0.00621731 +C 5.08378590 6.50631713 6.19805750 0.00819065 -0.00189480 0.00341782 0.07844202 -0.02073669 0.02709817 0.00705842 -0.00445297 0.00383019 +H 5.10788623 5.34926208 7.99556679 0.02036452 -0.00952003 -0.00716300 -0.05482219 -0.02606000 -0.06632054 -0.01360669 -0.01733340 0.02216136 +C 4.35259374 6.99858610 5.14976140 -0.00174086 -0.00489332 0.00216319 -0.01693422 -0.00772781 -0.00121561 0.00085663 0.00049407 0.00006225 +N 6.49257127 6.65314848 6.35524621 0.00327400 -0.00179457 0.00842195 0.01674561 0.00433049 0.04310484 0.00261748 0.00247097 0.00271303 +C 2.96135868 6.79843198 5.04055847 0.00019531 0.00615658 -0.00488713 0.00145080 0.03883732 -0.04536973 -0.00019588 0.00317259 -0.00419674 +H 4.73974546 7.73064860 4.38613706 0.00369708 -0.03031543 0.01189411 0.15208338 -0.22903991 -0.01226917 0.03649077 -0.01455922 -0.03165117 +C 7.42179832 7.23689753 5.57148740 0.00056583 -0.00838815 -0.00744768 -0.02412828 -0.06771988 -0.04003423 -0.00568235 -0.00880597 -0.00273775 +H 6.84039672 6.53204010 7.30104738 0.01443510 0.00858809 0.00466997 0.04997177 -0.01601227 0.02107690 0.00077115 -0.01244618 0.00562895 +O 7.24551737 7.54818764 4.38424408 0.00090558 0.00736767 -0.00222541 0.01111303 0.04815830 -0.00909082 0.00166068 0.00577297 -0.00048807 +C 8.64734276 7.54328777 6.37207219 -0.01004403 0.00110748 -0.00308111 -0.04544845 0.01579919 -0.02582343 -0.00398462 0.00591052 -0.00310975 +H 8.88930225 6.79179978 7.17305350 -0.00094416 0.01513807 -0.00090222 -0.03873389 0.08593605 -0.03734778 -0.00490235 -0.01053736 0.00395426 +H 9.54247562 7.70042738 5.73758511 -0.00633211 0.00048039 0.01040371 -0.04920825 -0.02085951 0.01739924 0.00344252 -0.00413828 -0.01501243 +H 8.39343792 8.49213555 6.77761947 0.01048397 -0.00813600 0.01176512 0.08071194 0.02133921 0.14196035 0.00913053 -0.00695193 0.00800000 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03418746 5.62830547 5.78309748 0.00160678 0.00040663 0.00164473 0.00671576 0.01840762 0.01588719 0.00153538 0.00261897 0.00223922 +C 2.28457873 6.11119979 5.82633852 0.00221683 0.00485232 0.00042716 0.04053838 0.04085195 0.00084197 0.00615046 0.00388013 -0.00072824 +H 1.05906845 4.70500953 5.61012814 0.00935380 0.02378491 0.00962572 0.01028884 -0.02180587 0.01877352 -0.00759635 0.01020007 0.00313352 +C 2.67487886 7.38088714 6.37295346 -0.00455794 -0.00355046 0.00249397 -0.07598713 0.00047642 0.03617536 -0.00908558 0.00253262 0.00598513 +H 3.09803915 4.23338454 5.17116544 0.00080737 -0.00670497 -0.02053900 0.08993327 0.16109537 -0.23637553 0.01123356 0.00846451 -0.05115643 +C 3.96826225 7.82999606 6.56574322 -0.00144916 0.00177997 -0.00056598 -0.01542454 0.00609653 -0.02966674 -0.00459353 -0.00155927 -0.00719930 +H 1.86335177 8.06857047 6.76021297 -0.01384002 0.01778053 0.00312724 0.00273383 -0.04077718 -0.06912098 -0.02982130 0.00485138 -0.00042052 +C 4.99624354 7.02010552 6.08887039 -0.00634518 -0.00372277 0.00119194 -0.00586877 -0.02669860 0.01257208 0.00561442 -0.00414082 0.00192116 +H 4.13116665 8.88272922 6.86364484 0.00734760 -0.01473121 -0.00619578 0.06807920 -0.06283124 0.07797711 0.00957316 0.00640813 0.02565897 +C 4.63038999 5.75726591 5.55860244 0.00380995 -0.00510125 0.00133511 0.04855935 -0.04258187 0.00256207 0.00698781 -0.00382912 0.00103772 +N 6.32391973 7.50012858 6.19078942 0.00808073 -0.00773433 -0.00332903 0.01632667 -0.03778572 -0.01610830 -0.00591231 -0.00311917 -0.00099016 +C 3.32527969 5.31715895 5.37380182 0.00829686 0.00548316 -0.00565812 0.03568791 0.01162309 -0.01989662 0.00316312 0.00203373 0.00025138 +H 5.38193537 4.98643858 5.24908325 0.00901162 -0.00047624 0.01643841 0.05669094 0.03303428 0.09409949 0.02576393 -0.01595858 -0.00247761 +C 7.46314433 6.82388766 5.88755684 -0.00668484 0.00730141 0.00267313 -0.01995129 0.04180816 0.00427061 0.00332844 -0.00062257 -0.00300809 +H 6.41825650 8.46159556 6.46898855 0.00843090 0.02474430 -0.00776166 0.05985041 -0.06929966 -0.10136446 0.00769032 -0.01565176 -0.01258063 +O 7.55369650 5.68736534 5.52918863 -0.00185768 -0.00077896 0.00129631 -0.01656157 -0.01391798 0.01221703 -0.00268499 -0.00124912 0.00276382 +C 8.72870862 7.63196211 5.82692687 -0.00445287 0.00083176 -0.00022746 -0.01942659 0.01973643 -0.00769807 -0.00314454 0.00447339 0.00027773 +H 9.11331609 8.04740801 6.76671119 -0.00055154 -0.01248705 -0.02658091 -0.04974534 -0.05710997 0.05125700 -0.01432547 0.00155083 0.03102265 +H 9.59998307 7.04119984 5.41971986 -0.00218378 -0.00067613 0.01618813 -0.08810301 0.00412825 0.04439838 -0.00050385 -0.01232920 -0.01424513 +H 8.57826926 8.55945374 5.22468121 -0.01745936 -0.01167528 -0.00461921 -0.07885984 -0.10404765 -0.09187742 -0.00194849 0.00108206 -0.02715745 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.91337226 5.87715240 5.85833179 -0.00257917 0.00111935 -0.00080564 0.01128117 0.01559996 -0.01706036 0.00708400 0.00138580 -0.00203538 +C 2.30777544 5.95679799 5.91965247 0.00639230 -0.00171683 -0.00448660 0.03077058 -0.01794043 -0.01678727 0.00083894 -0.00322071 0.00092896 +H 0.58468944 6.52907797 5.21427498 -0.00724404 0.00451426 -0.01421480 -0.04522184 -0.08319318 -0.02133087 -0.01733832 -0.00044371 -0.02093506 +C 2.97034836 5.49481640 7.08870817 -0.00274876 0.00264162 0.01189607 -0.00123303 0.03956219 0.04495597 -0.00163678 0.00632504 0.00163456 +H 2.76795264 6.84655242 3.96185571 0.00933014 0.00981515 0.00115270 -0.09827306 0.10124620 -0.03585238 -0.01935048 0.00093655 0.02286983 +C 4.35296829 5.83320019 7.22872760 0.00006162 -0.00646931 0.00185988 0.00388890 -0.04863759 0.01993994 0.00449857 -0.00671788 0.00765904 +H 2.55740037 5.01466098 7.92463993 -0.02068181 -0.00207692 -0.01608850 -0.25777949 0.00882811 -0.03326957 -0.01784071 0.02453081 -0.01677752 +C 5.17015882 6.37388749 6.20968538 0.00124548 0.00136865 0.00367398 -0.01637516 0.02691614 0.02302443 -0.00782828 0.00524921 0.00209421 +H 4.72998938 5.72695912 8.17182001 0.01409580 0.00631858 -0.00726520 0.15586718 -0.09240512 0.05153260 0.00266851 -0.02825123 -0.02112564 +C 4.51182463 6.77836926 5.03286373 -0.00401781 0.00324074 -0.00003493 -0.03928115 0.01478092 0.00847246 -0.00447254 0.00046033 0.00323206 +N 6.49308683 6.73570975 6.50745174 0.00043006 -0.00586818 -0.00288214 -0.00553941 -0.04473987 -0.03373280 -0.00019782 -0.00665811 -0.00479478 +C 3.13148181 6.55923102 4.88722934 -0.00183477 -0.00055249 -0.00378292 -0.02616167 -0.01209937 -0.01512261 -0.00626301 -0.00076856 -0.00412027 +H 4.85796677 7.39530970 4.20466270 0.01609170 -0.01308412 0.00924322 0.20057003 -0.13763867 0.04447527 0.01735115 -0.02341411 0.00027588 +C 7.33357012 7.36825667 5.67118476 -0.00260261 0.00220481 0.00575810 0.01718475 0.02237589 0.01468527 0.00636740 0.00331343 -0.00315698 +H 6.88990819 6.34016973 7.32327956 -0.00698854 -0.00562388 -0.00676867 -0.01645452 -0.01979812 0.02200256 -0.00583491 0.00674106 -0.00687603 +O 7.12217539 7.83073752 4.54184686 0.00099214 0.00029929 -0.00401828 0.00143207 -0.00287974 -0.00992744 0.00010481 -0.00099623 0.00189539 +C 8.78680289 7.44962703 6.13853036 0.00358142 0.00281192 -0.00292999 0.02272956 0.01135583 -0.01443645 0.00197302 0.00108064 -0.00270082 +H 9.17393209 6.41944735 6.16187113 0.01627644 -0.01355319 0.01116685 0.08373767 0.08492680 0.04758748 0.01353193 0.02006974 0.00130933 +H 9.35398173 8.01540802 5.39592002 0.01830457 0.03290367 -0.00036880 0.05291201 0.12544079 0.15344113 -0.00135585 0.00415705 0.03305945 +H 8.85082490 7.87842693 7.19458136 -0.02088756 -0.00223868 -0.00267708 -0.09915942 -0.00030515 -0.10281337 -0.00546179 0.01383506 0.01066966 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98379544 5.67380975 5.86750581 0.00322191 -0.00234313 0.00210248 0.02660645 -0.01567003 0.02443251 0.00232298 -0.00280667 0.00266075 +C 2.30555211 6.02917613 5.98645350 -0.00151502 -0.00806436 0.00479618 0.00109313 -0.04185815 0.00300244 0.00288615 -0.00236283 -0.00619309 +H 0.81896112 5.52587797 4.95266911 -0.01105796 0.00971944 0.02799998 -0.16189706 0.04687297 0.02823885 -0.01757794 0.00953798 0.01842172 +C 2.95114071 5.94448738 7.20763131 -0.00302900 0.01037021 -0.00093305 -0.01823231 0.07490604 -0.00559759 -0.00352873 0.00873298 0.00612453 +H 2.59146700 6.39308053 3.90159609 0.02440014 -0.00577374 0.00633462 0.05463787 0.03541662 -0.07135088 -0.01068135 0.01478537 -0.01872109 +C 4.28497661 6.29302485 7.29683920 -0.00064695 -0.00380018 0.00192410 0.02329754 -0.01794932 0.01729039 0.00456054 -0.00143318 0.00157900 +H 2.40911055 5.67510819 8.01921311 0.01899179 0.02045474 -0.01481682 -0.02824571 0.05649223 0.15103271 0.00496976 0.01423821 -0.00411853 +C 5.12731634 6.64016887 6.19744570 -0.00508540 0.00205986 0.00145067 -0.06826228 0.00339196 -0.01988428 -0.00926641 -0.00093249 -0.00456468 +H 4.71968822 6.29223270 8.29612102 -0.00077976 -0.01176761 -0.00488566 0.02382422 -0.10982169 0.00568629 0.01117325 -0.01652431 0.00971237 +C 4.43616971 6.70254635 4.89434064 0.00763997 0.00265079 -0.00815675 0.04278140 0.01605036 0.00548539 0.00004362 0.00261421 0.00378795 +N 6.46694200 6.84702283 6.46542303 -0.00418457 -0.00613580 -0.00847588 -0.03611577 -0.03271655 -0.04371214 -0.00595416 -0.00336246 -0.00597153 +C 3.06923415 6.43385355 4.87783551 -0.00166736 0.00453375 -0.00260527 -0.01182894 0.01225633 -0.02517574 0.00045925 -0.00133274 -0.00360195 +H 4.95403785 6.94121664 4.00163871 -0.03465840 0.00645282 -0.00085068 -0.06963256 0.07275411 -0.12698299 0.01039996 0.00380915 0.00686510 +C 7.42234854 7.23016657 5.63542003 0.00197645 -0.00169457 0.00527348 -0.00251878 -0.02496105 -0.00433964 -0.00250232 -0.00510335 -0.00441895 +H 6.66516381 6.82986659 7.49195196 0.01783128 -0.02975983 -0.01825588 0.14966668 -0.21962956 -0.16305871 0.02000114 -0.03400992 0.00108814 +O 7.24677377 7.25385410 4.38329266 0.00179694 0.00029774 0.00333927 0.02659791 0.00934310 0.04348300 0.00544780 0.00240966 0.00726662 +C 8.76231083 7.45409725 6.28930241 -0.00057098 0.00317010 -0.00253978 0.00283886 0.02190465 0.00681707 0.00183688 0.00139520 0.00097056 +H 9.50734301 7.41918745 5.51093188 -0.01734677 0.00005307 0.00988078 0.03454172 0.02438594 -0.02553379 0.01312637 0.00570020 -0.00118992 +H 8.84508792 8.41806034 6.87295220 0.00739258 0.00619538 0.00725770 -0.00661140 -0.01944378 -0.08060913 -0.00848422 0.02120909 -0.01353696 +H 8.98192990 6.62474797 6.97636405 0.00825052 0.01222300 0.02816193 0.02848787 0.14681688 0.07897055 0.00214006 0.01547946 0.00215764 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.89689296 5.78116329 5.68142482 -0.00084815 0.00171015 -0.00094115 0.00702578 0.00675188 -0.00027558 0.00248752 0.00245414 0.00169813 +C 2.23642764 6.04865706 5.94395542 -0.00159222 0.00370457 0.00042143 -0.00672900 0.03832546 -0.01708459 0.00127143 0.00357010 -0.00570725 +H 0.75402657 4.91181422 5.25299160 -0.02154760 0.00348355 0.00008068 -0.11142840 0.05385865 0.02608181 -0.01037470 -0.01602759 -0.00578873 +C 2.57087609 7.39122193 6.30276029 0.00033218 -0.00554087 0.00267398 0.03293207 -0.03155507 0.03280446 0.00714551 -0.00124529 0.00603612 +H 3.11321441 4.20079919 5.11527468 0.02662055 -0.00589624 -0.01096513 0.14588559 0.08248015 0.02847462 0.00064284 -0.01695471 0.00025493 +C 3.96972345 7.79260680 6.35949732 0.00287089 0.00090451 -0.00185126 -0.01919358 0.01074773 0.00279604 -0.00666307 0.00023485 0.00257423 +H 1.80919965 8.06209859 6.67947764 0.00475710 0.00819311 -0.00675968 0.03107270 0.02380226 -0.11758985 0.00346792 -0.00284938 -0.02009335 +C 5.03351858 6.95515661 5.99749732 -0.00265105 -0.00264928 0.00234025 -0.01249723 -0.00194572 0.02334154 -0.00180162 0.00115706 0.00340288 +H 4.17223847 8.79636603 6.77052679 -0.01022014 -0.00553265 0.01464863 -0.03572007 -0.03216539 0.01895603 0.00276331 0.01413087 -0.00459571 +C 4.64062946 5.67302183 5.60172718 -0.00303299 0.00390048 -0.00140967 -0.00307536 0.01393772 -0.01832968 0.00316261 -0.00157606 -0.00381728 +N 6.36877378 7.48373407 6.06063843 -0.00441738 -0.00659885 -0.00948145 -0.03653946 -0.04868850 -0.06365558 -0.00554225 -0.00536475 -0.00782363 +C 3.31076467 5.22451943 5.56008512 0.00589594 0.00178923 0.00360482 0.01347361 -0.00166015 0.01458754 -0.00211525 0.00274888 0.00219385 +H 5.39202603 5.03475296 5.20762248 -0.02003641 0.00256160 0.00185184 -0.02386174 -0.08426715 0.00260641 0.00348697 -0.00855360 0.00481406 +C 7.56706742 6.86254819 5.96655962 0.00308731 -0.00004701 0.00497340 -0.00481573 0.01434704 0.01920411 -0.00401797 0.00212484 0.00008750 +H 6.44436348 8.49953325 6.10856941 -0.02543451 -0.02094883 -0.01028026 -0.14434404 -0.04348564 -0.05277697 -0.00912918 0.00512278 -0.00649009 +O 7.60234772 5.67453800 5.85846791 0.00256569 0.00249669 -0.00015920 0.03183547 -0.00548731 0.00304059 0.00638338 -0.00321225 0.00128714 +C 8.81793622 7.72354045 5.74239311 0.00416569 -0.00243170 0.00161187 0.01295152 0.00533616 0.03287521 -0.00037205 0.00293617 0.00155288 +H 9.04120915 7.70371173 4.73575828 -0.04483597 0.01600655 0.03135841 -0.20877843 0.07584664 -0.14459642 -0.01044272 0.00035276 -0.00089376 +H 8.62184555 8.78225147 5.99332525 0.00246390 0.01381797 -0.01479511 0.04197844 -0.02232689 -0.04444189 0.00455370 -0.00036750 0.01127425 +H 9.75610418 7.39992394 6.17004420 0.01421140 0.01764996 -0.00325737 0.04067671 0.03636407 0.04921569 -0.00835437 -0.00684086 0.00750971 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03100018 5.64351521 5.68762851 -0.00117496 -0.00018927 0.00456924 -0.01930745 -0.00979858 0.03861256 -0.00417437 -0.00140678 0.00472407 +C 2.30686550 5.91346960 5.91014286 0.00004452 0.00297997 -0.00112548 0.02964115 0.05123836 -0.01356119 0.00543771 0.00992172 -0.00284861 +H 0.78494158 6.10692708 4.90088500 -0.01557808 -0.04284620 0.01189428 -0.19289955 -0.22448694 -0.02566143 -0.01971275 -0.03105038 0.01187876 +C 3.16399956 5.00577458 6.53050899 -0.00418437 0.00713298 -0.00311178 -0.02397068 0.02013339 -0.00803411 -0.00278137 -0.00254459 0.00037859 +H 2.14911449 7.86562007 5.12634744 -0.02204461 -0.01598333 0.01594569 -0.07155003 0.02687718 0.01836791 0.02544777 0.00782618 -0.00556166 +C 4.55438362 5.18333253 6.68530313 -0.00118510 -0.00324037 -0.00174840 -0.01871847 0.00285964 -0.04691962 -0.00418047 0.00396507 -0.01046417 +H 2.74214236 4.12437047 6.91861984 -0.01180544 0.00026442 -0.01949954 -0.08207266 -0.03718174 -0.11594296 -0.00142946 0.00707737 -0.01474931 +C 5.09680389 6.36281692 6.04983963 0.00321889 -0.00027561 0.00289319 0.02367940 0.01314913 0.04862683 0.00252517 0.00343291 0.00976009 +H 5.14372231 4.37087350 7.11337499 -0.00661839 -0.01512735 -0.00287999 -0.04785676 0.01958455 -0.02154796 -0.00242430 0.01308436 -0.00247350 +C 4.25360575 7.43885321 5.55845560 0.00077742 -0.00174860 -0.00174313 0.00747977 -0.04475261 -0.00555958 0.00046956 -0.00924133 -0.00024303 +N 6.47717863 6.57196216 6.26066779 0.00185949 -0.00637006 0.00444693 0.01187173 -0.03677406 0.01383865 0.00295740 -0.00437222 0.00035389 +C 2.83578375 7.16024256 5.49414777 0.00279326 0.00389025 -0.00615842 0.02693023 0.01842578 -0.03763191 0.00222798 0.00215101 -0.00471960 +H 4.79642538 8.34994592 5.27749035 -0.01066578 0.01199379 -0.00719220 -0.24656327 0.02415324 -0.05624845 -0.03525826 -0.00088458 -0.00821515 +C 7.36478668 7.43377345 5.71081366 0.00126816 -0.00149963 0.00063951 0.01706575 -0.00581811 0.02549717 0.00238210 -0.00025722 0.00644118 +H 6.89744287 5.99707541 6.96824836 -0.00726970 -0.00800692 -0.00618811 -0.01138262 -0.14898826 -0.04205257 0.00086892 -0.02203298 -0.01551331 +O 7.11320966 8.47051165 5.07460394 -0.00394068 -0.00262334 -0.00019688 -0.02902258 -0.03253003 -0.00100397 -0.00427593 -0.00662818 0.00008738 +C 8.83727159 7.13832681 6.09985656 0.00741885 0.00667510 -0.00110000 0.02282111 0.04944938 -0.00403592 0.00224190 0.01106219 -0.00102749 +H 8.93256963 6.36324165 6.88248479 -0.00217807 0.00013391 0.01029167 0.03156009 0.02217483 -0.08549266 0.01430351 -0.00693812 -0.02456357 +H 9.36966224 6.91230720 5.19327322 -0.00363737 0.04848896 0.00126155 0.07707651 0.19007379 -0.05293108 0.01195918 0.00472402 0.00214476 +H 9.23504838 8.02301730 6.48637449 0.01418984 -0.01155406 0.00166262 0.13383551 0.06324902 0.08819440 0.00010339 -0.00383715 0.00821468 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.87932419 5.77743628 5.75290612 -0.00113092 -0.00077016 -0.00136325 0.00463759 -0.00013819 -0.01056451 0.00175721 -0.00138907 -0.00215975 +C 2.23248070 6.10508510 5.84167883 -0.00503591 -0.00283266 -0.00470362 -0.00278763 -0.02180213 -0.03724062 0.00615462 0.00066761 -0.00482139 +H 0.71610089 4.90385543 5.54824387 -0.00126325 0.00170691 -0.00626245 -0.00627442 -0.01870739 -0.04414840 0.00431714 0.02133362 0.00066386 +C 2.65545123 7.42505306 6.01706699 0.00611317 0.00489834 0.00510582 0.02824635 0.04644139 0.03319210 0.00113018 0.00224088 0.00325227 +H 2.99423906 4.04785533 5.62432848 0.00460809 -0.00860181 0.03143670 0.07731735 0.02076861 0.13122450 0.01113956 -0.00040074 0.00089503 +C 4.01210678 7.83473289 6.23840964 0.00514690 0.00393124 0.00179561 0.00730088 0.01282789 0.01426289 -0.00382005 0.00135146 0.00259219 +H 1.94180095 8.26650807 5.99251689 -0.00267948 0.01930704 -0.00449107 0.01807331 -0.04124249 0.04684200 -0.00895921 -0.00491203 0.01714618 +C 5.08766466 6.89989902 6.14309808 -0.00816348 -0.00523904 0.00802840 -0.05900464 -0.01501619 0.05405198 -0.00530148 0.00092018 0.00621423 +H 4.12864712 8.86198483 6.51971598 -0.03083644 0.01195438 0.00321194 -0.02752016 0.04778478 -0.07097125 0.02698706 -0.00574770 -0.02151041 +C 4.65230214 5.53205573 5.94944780 0.00131540 -0.00230667 -0.00136922 0.00706918 -0.01681706 -0.02155377 0.00114636 -0.00166125 -0.00361901 +N 6.40562186 7.43099768 6.26327622 0.00022772 0.00514323 -0.00283894 -0.03472862 0.01544659 -0.01910769 -0.00985878 0.00071417 -0.00127848 +C 3.26285654 5.11087469 5.73315923 0.00160540 -0.00279182 -0.00510516 0.02246060 0.00490243 -0.00619633 0.00445160 0.00414112 0.00333662 +H 5.42054571 4.78977891 5.88248262 0.02107060 0.01093402 0.01220648 0.06402229 0.02567634 0.08237425 -0.01016494 -0.00255346 0.00759899 +C 7.51509065 6.94069160 5.76784663 0.00172849 -0.00370032 0.00274215 0.01484725 -0.03624730 0.02841160 0.00059846 -0.00512148 0.00595721 +H 6.53714396 8.30368654 6.67854073 -0.01396747 -0.00141669 -0.00663120 -0.11089747 0.08074926 0.00169360 -0.01533486 -0.01164672 -0.01109216 +O 7.53873575 5.87460318 5.17707165 -0.00053472 -0.00098957 -0.00046382 0.00386101 -0.01214796 -0.00998522 0.00178460 -0.00267634 -0.00223675 +C 8.80483783 7.66918129 6.11108820 -0.00025636 0.00281917 -0.00532953 -0.00150128 0.00830985 -0.00047676 -0.00026248 0.00209160 0.00009786 +H 8.98568253 7.58174433 7.21726329 0.03280004 0.02119520 0.02971859 0.19864567 0.03928661 -0.15772155 0.02667397 -0.01158577 -0.02723745 +H 9.63800040 7.36501592 5.48295194 -0.00995742 -0.01047040 -0.00951229 -0.04299041 -0.03532251 -0.04691612 -0.00731469 0.00318433 -0.00292572 +H 8.61694561 8.71851468 6.05302084 -0.00573881 -0.02592651 0.00489674 -0.02085211 0.06871601 -0.11867377 0.00461466 0.01175992 -0.03101435 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01491310 5.81098806 5.77356264 -0.00466910 0.00156006 0.00019490 -0.01537655 0.00612147 0.00048066 0.00113879 0.00198646 0.00052465 +C 2.35445928 6.08930337 5.86835678 0.00916615 -0.00259647 -0.00179187 -0.00708776 0.01680639 0.00209151 -0.01049838 0.00461686 0.00106706 +H 0.81115919 4.88496623 5.51799891 0.01320258 -0.00426859 0.00753061 0.08347767 0.00556797 0.06321535 0.00193564 -0.02337165 0.00272083 +C 2.69068005 7.43933153 6.25140343 -0.00250495 -0.00384352 -0.00048133 -0.01853014 -0.02167058 -0.01486949 -0.00343025 0.00087469 -0.00203891 +H 3.10388644 4.06397464 5.42618630 -0.00010046 -0.02607539 -0.00473034 -0.04792707 0.04551534 0.01666440 -0.01402238 0.01523090 -0.00001584 +C 4.01183757 7.89100243 6.31940267 0.00261182 0.00330863 0.00098522 0.02079317 -0.01340982 0.01895413 -0.00063106 -0.00645596 0.00421259 +H 1.96329679 8.15125419 6.38328739 -0.02933852 -0.00565219 0.01145346 -0.14990258 -0.10449115 0.10011214 0.01714402 -0.03894802 0.00824000 +C 5.02957963 6.89199826 6.04425300 0.00159657 0.00272207 0.00118565 -0.02297957 0.03963215 0.01914691 -0.00384446 0.00416137 0.00344869 +H 4.23349071 8.87524833 6.72206578 0.00703471 0.00753485 0.02953744 0.02122606 -0.04319989 0.02660771 0.00103229 -0.00915876 -0.01704711 +C 4.63464434 5.57616560 5.73937784 0.00165592 -0.00101784 0.00557651 0.02239968 -0.03830734 0.02765810 0.00152275 -0.00533288 0.00256887 +N 6.29031304 7.33191574 6.25462201 0.00323110 0.00502352 -0.00012655 0.03130117 0.03745428 -0.00570428 0.00311829 0.00663470 -0.00078018 +C 3.28629491 5.10734417 5.69650507 -0.00617795 0.00129635 -0.00814750 0.02060164 0.00033522 -0.06612430 0.01067814 0.00180476 -0.00892444 +H 5.45655251 4.85782640 5.55704262 0.00685119 -0.02866509 -0.00803485 -0.11424526 -0.06748002 0.00948081 -0.00473607 -0.01094100 0.00665543 +C 7.47207771 6.91660580 5.79051148 0.00036929 0.00363733 0.00267773 -0.00969066 -0.03803641 -0.01218729 -0.00125281 -0.01104883 -0.00391392 +H 6.36308792 8.17979881 6.77669194 -0.00777015 -0.00708967 -0.01569768 -0.02238671 0.09583264 -0.02183225 0.00730516 0.01174909 -0.00386092 +O 7.59388979 5.87797792 5.09010082 -0.00385510 -0.00562065 0.00040110 -0.02584853 -0.01723935 0.01471281 -0.00349099 -0.00045061 0.00314791 +C 8.65588583 7.67453857 6.17096866 0.00550111 -0.00105774 -0.00094180 0.02508780 0.03174701 0.00513864 0.00170983 0.00498935 0.00088250 +H 8.39591609 8.01783655 7.19932410 -0.01717192 0.02753625 -0.00640349 0.12421881 0.08871621 -0.05385589 0.04307139 0.00604841 0.01293222 +H 9.59090473 7.13525528 6.06825886 -0.00328540 0.00381670 -0.00881679 0.03943016 0.00621807 -0.00426741 0.00464769 0.00669712 0.00689553 +H 8.69406274 8.64253853 5.58762298 -0.02460995 -0.00167237 -0.00137023 -0.07907462 -0.09776469 -0.05741269 0.00609486 0.00227123 -0.03182670 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.07615768 5.65193519 5.96566747 -0.00332958 0.00068281 0.00234098 -0.03253733 0.01066578 0.01748359 -0.00524886 0.00303992 0.00298060 +C 2.34318743 6.13328976 5.88930895 -0.00301388 0.00005644 -0.00087221 -0.02245073 -0.02895061 -0.02611010 -0.00117208 -0.00630446 -0.00554379 +H 0.82965369 4.84327464 5.46858443 0.00867591 -0.00547654 0.01660106 0.11750416 -0.04698460 0.10921111 0.01443916 -0.02489568 0.00602834 +C 2.67196549 7.31539848 6.49670374 0.00632142 -0.00208171 -0.00141840 0.04684804 -0.00709657 0.00486906 -0.00026628 -0.00008216 0.00433323 +H 3.01278032 4.42936370 4.64623910 -0.01747617 0.00120398 0.00136597 -0.04245070 0.06309228 0.00718440 0.00051744 -0.01777947 -0.01903480 +C 4.01688368 7.73588294 6.61321310 0.00004296 0.00488560 -0.00262304 -0.01564993 0.03447277 -0.03433888 -0.00146702 0.00855452 -0.00548367 +H 1.93772830 7.91207866 6.89606193 0.02138776 -0.03635120 0.00244818 -0.06374839 -0.06819862 0.16725684 0.00844163 -0.00953475 0.01454629 +C 4.97320078 7.01443101 5.96326631 0.00394008 0.00585225 0.00622554 0.04328174 -0.01059537 0.02056539 0.00425290 -0.00772357 0.00000697 +H 4.33653075 8.62653421 7.05267806 -0.03344798 -0.00642038 -0.02791461 -0.20747898 0.17572413 0.00766555 -0.02504286 0.00737160 0.00699423 +C 4.58397406 5.83265553 5.25166993 -0.00491658 0.00037296 -0.00142249 0.00145552 0.01455334 -0.01400383 0.00651372 0.00280429 -0.00285113 +N 6.31651305 7.44310193 6.03051664 -0.00121240 0.00224198 0.00387178 -0.02792942 0.02950456 0.02342160 -0.00344389 0.00614826 0.00272276 +C 3.27699659 5.39245084 5.17864118 0.00565251 -0.00510659 -0.00533717 0.00858521 -0.03068862 -0.01744745 -0.00363364 -0.00001422 0.00224847 +H 5.26180681 5.21741832 4.68086186 -0.02501027 0.00183772 -0.00662858 0.01529461 0.02076427 -0.02584040 0.02474982 0.00753005 0.00215112 +C 7.46461402 6.84967485 5.89580408 0.00079490 0.00090979 0.00145626 0.00454139 -0.04539975 0.00066306 -0.00007859 -0.00860934 -0.00029841 +H 6.43795562 8.41366360 6.17523466 -0.01645679 -0.00313252 0.00137269 -0.10053784 0.06815609 0.04406430 -0.00939483 -0.00008081 0.00748266 +O 7.63975418 5.62379713 5.80089444 -0.00135075 -0.00424223 -0.00236954 -0.01672958 -0.02057170 -0.01741363 -0.00319830 -0.00267893 -0.00269819 +C 8.62641149 7.69702302 5.87163800 0.00296152 0.00259731 0.00220588 0.05314947 0.03451108 0.01871822 0.00916924 0.00492602 -0.00069536 +H 8.77669860 8.29845771 5.00495432 0.01001572 -0.02334274 -0.01382320 -0.04758610 -0.08859394 -0.11496682 -0.01902178 -0.00750948 0.00209473 +H 8.49927958 8.37194249 6.77296326 -0.01186780 -0.00424238 -0.00281522 0.05360503 0.02248855 -0.05398552 0.02108068 0.03174605 0.00830450 +H 9.57799211 7.12820297 5.90919537 0.01491119 0.01206365 -0.00267774 0.01843334 0.06780860 0.09388001 0.00746342 -0.00116897 0.02782109 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95263809 5.62118807 5.93171547 0.00347604 -0.00084533 0.00160870 0.03176244 0.00277505 0.00629063 0.00515541 0.00278419 0.00200488 +C 2.25960283 6.13358917 5.93135088 -0.00331569 0.00437577 0.00483920 -0.01695945 0.01304088 0.01538457 -0.00057874 -0.00092137 -0.00298658 +H 0.66832217 5.03324367 5.19805806 0.00091211 -0.01266954 0.00614185 0.09929119 -0.02318360 0.05255463 0.01681518 -0.01715600 -0.01842798 +C 2.81501261 6.51747586 7.15707103 -0.00373950 0.00320858 -0.00898254 -0.04380170 0.02724012 -0.02520888 -0.00639654 0.00498022 0.00463695 +H 2.79001823 5.78049922 3.90565618 -0.01155123 0.02190525 -0.00846998 -0.06733823 0.13264493 -0.06558708 -0.00200066 0.01158173 0.00257700 +C 4.16870728 6.81218955 7.25185026 0.00082790 -0.00604317 -0.00155537 -0.00013203 -0.01709157 0.02247623 -0.00080567 0.00030746 0.00463055 +H 2.17354377 6.61105440 7.96602004 -0.02271512 0.00032808 0.03006189 0.00898434 -0.03720074 0.02902468 0.02428174 -0.01029043 -0.02846040 +C 5.04328087 6.76574080 6.20417321 -0.00163408 0.00514072 -0.00603993 0.00757270 0.01465694 -0.06210673 0.00365664 -0.00001309 -0.00561251 +H 4.48222404 7.22186843 8.18330396 0.00942039 -0.01237542 0.01794693 0.06486260 -0.18172151 0.06152006 0.00590212 -0.03520184 -0.00215526 +C 4.54667467 6.36842974 4.93132782 0.00648672 -0.00336107 0.00094692 0.01674224 -0.01747916 -0.00430734 -0.00248518 -0.00211497 -0.00454561 +N 6.36742276 7.03947974 6.42480617 0.00177780 0.00211763 0.00324441 0.02378852 0.02519584 0.03099631 0.00255635 0.00400576 0.00434192 +C 3.15902542 6.12905272 4.83874042 -0.00106419 -0.00428603 0.00081752 -0.01832464 -0.04396535 -0.00869394 -0.00332692 -0.00693648 -0.00337811 +H 5.08631841 6.26960575 4.03046054 0.02022433 0.00475100 -0.01635786 0.12561525 0.04522977 0.04507936 0.00127248 0.00620827 0.03155505 +C 7.49572995 7.00103043 5.63414472 -0.00348128 -0.00450387 -0.00143108 -0.03116954 -0.00444831 0.03324862 -0.00289391 0.00296484 0.00791697 +H 6.48272365 7.38857053 7.34950062 -0.01021564 -0.00427026 0.03010546 0.03293545 -0.04401616 0.03675889 0.01976561 -0.00357906 -0.00953673 +O 7.51781562 6.47084151 4.55595650 -0.00425940 0.00138530 -0.00141636 -0.02559538 0.00473682 -0.02355958 -0.00319786 0.00064088 -0.00363607 +C 8.74450974 7.73212428 6.20402445 0.00328791 0.00410487 0.00442755 -0.00747027 -0.00523886 0.00854216 -0.00285882 -0.00230357 -0.00405427 +H 8.44591759 8.47811407 6.92314427 0.02299781 0.00739150 -0.02054787 0.12483097 0.10785483 0.01033993 0.01403688 0.00506513 0.00660617 +H 9.35169374 6.93552315 6.66104014 -0.00390520 -0.01081393 -0.00475983 0.05070839 0.04013934 -0.04161695 0.01575210 0.01328250 0.00256312 +H 9.09586672 8.26603310 5.38284146 0.01392614 -0.01598797 0.00088695 0.24628583 -0.11247545 -0.03846011 0.02452785 -0.03183331 0.02125983 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02772943 5.67386977 5.90238576 -0.00221975 -0.00075223 0.00090838 -0.03811057 -0.00002124 0.01236786 -0.00534331 0.00243122 0.00237094 +C 2.24966076 6.14464476 5.92427105 0.00241223 0.00424379 -0.00139982 0.06561959 0.00845353 -0.02497654 0.00814375 -0.00136748 -0.00365680 +H 0.86637980 4.70762504 5.85464825 -0.01588286 0.00877903 -0.02595773 -0.01654222 0.05268497 -0.21994608 0.00568240 -0.01058862 -0.03768179 +C 2.62780305 7.39432758 6.44455938 -0.00526789 -0.00376704 0.00047601 -0.01934672 -0.01124629 0.00579738 0.00626880 -0.00118859 -0.00066336 +H 3.06000263 4.36637229 5.03442174 -0.00026805 0.02591331 -0.00145998 -0.00031172 0.05647116 -0.11989467 0.00422711 0.01330947 -0.01652658 +C 3.97548381 7.78054503 6.43797330 0.00657697 -0.00497496 0.00097525 0.03097241 -0.03841260 0.02017429 0.00045961 -0.00631251 0.00431663 +H 1.84458984 8.09423893 6.92372913 0.01462295 0.00641289 -0.00700159 0.07480255 -0.02386066 -0.07385735 -0.03202603 0.01712112 0.00757746 +C 5.01326464 6.96822899 5.93524011 0.00632753 -0.00586199 0.00195543 0.02755916 -0.04213443 0.00907613 0.00088143 -0.00563467 0.00110866 +H 4.22125845 8.70554668 6.98558025 -0.00034165 -0.01882454 -0.00654197 0.03911843 -0.01187214 -0.06078461 0.01303546 0.01995735 -0.00484491 +C 4.66877067 5.74085832 5.33211556 0.00165742 -0.00326078 -0.00147726 0.00579858 -0.00709732 -0.00553365 0.00087627 0.00188747 0.00048842 +N 6.30922432 7.43637252 6.03518453 -0.00039177 -0.00364971 -0.00341663 -0.00030525 -0.00916728 -0.01802817 -0.00125517 0.00018685 -0.00233347 +C 3.32271992 5.33604571 5.36115393 0.00511579 0.00665357 0.00495756 0.00496639 0.04480034 0.04059387 -0.00167446 0.00122949 0.00289565 +H 5.36971426 5.07898224 4.80666416 0.00126203 0.02553995 -0.00350587 0.07702122 0.08526885 -0.00389069 0.01395724 -0.00865836 -0.00184163 +C 7.47776318 6.79456888 5.87627587 -0.00561098 0.01260661 0.00750898 -0.00881324 0.06834280 0.03890165 0.00377678 0.00018622 0.00141758 +H 6.47183070 8.41439542 6.37400574 -0.00529767 0.00766475 -0.03250100 -0.12488835 0.00129266 -0.25957368 -0.02159625 0.02559399 -0.02985467 +O 7.61920146 5.60756813 5.63044572 -0.00326804 -0.00505617 -0.00046915 -0.02043525 -0.01062697 0.00354024 -0.00256107 0.00506608 0.00239580 +C 8.69581712 7.79129434 6.02810473 -0.00272694 0.00425498 -0.00352674 -0.02726977 0.00972062 -0.02305368 -0.00249271 -0.00375184 -0.00140101 +H 8.62777683 8.53329628 6.84176492 -0.00809424 -0.00582885 0.00499799 -0.09357059 -0.03496973 -0.01880436 -0.01278001 0.00481170 -0.00513944 +H 9.59267060 7.27629410 6.23178852 -0.01940721 -0.00447781 -0.00805180 -0.05315510 -0.14796936 0.01789228 -0.02141031 -0.01476788 0.00916534 +H 8.93098090 8.30882035 5.06125540 0.02485834 -0.02016775 0.00769276 0.08387072 -0.06703518 0.01026954 0.00030587 0.00978955 -0.01777542 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98309281 5.59451399 5.74179254 0.00291991 -0.00043754 0.00438676 0.03157253 0.00219010 0.02950076 0.00532856 -0.00034854 0.00496775 +C 2.29797291 6.06597229 5.73629792 -0.00218890 0.00507981 0.00649713 -0.00779468 0.02800790 0.04717276 -0.00119433 0.00456028 0.00429013 +H 0.79113107 4.92732866 6.34050807 0.01877059 -0.03173369 -0.01974269 0.15487922 -0.16549860 -0.15259582 0.02611535 0.00161665 -0.03592015 +C 2.72550049 7.14948512 4.93630973 -0.00649841 -0.00159895 -0.00374729 -0.05149852 0.00768845 -0.03366878 -0.00202201 0.00211243 -0.00253467 +H 3.06460549 4.63876020 7.24086930 -0.01720233 0.01247115 0.01470772 -0.13537547 0.10477738 0.03289099 -0.01694485 0.00814703 -0.00584395 +C 4.05656573 7.62652696 4.92234536 -0.00177486 0.00676484 -0.00132722 -0.00384422 0.02234316 -0.00304600 -0.00133686 -0.00366536 0.00135621 +H 1.91072559 7.66102811 4.32889445 0.00349498 -0.00194461 -0.03210156 0.13701089 -0.08747855 -0.14751668 -0.00483102 -0.00372924 -0.03522389 +C 5.01462053 6.92261458 5.71817094 0.00506956 0.00208896 0.00274481 0.00298925 0.02155208 0.00993766 -0.00451305 0.00410314 -0.00013879 +H 4.35627768 8.50630199 4.31659795 0.02916473 -0.00798589 -0.03981308 0.06186525 -0.21612345 -0.14951165 -0.00585156 -0.02691930 -0.01570364 +C 4.60031048 5.89068188 6.59328335 0.00130330 -0.00043674 0.00011335 0.02201167 0.01039615 -0.01141636 0.00305634 0.00189590 -0.00335912 +N 6.33257314 7.26163766 5.53004977 -0.00007716 -0.00783056 -0.00094134 0.00840357 -0.03985929 -0.01603670 0.00304525 -0.00107090 -0.00509729 +C 3.28795765 5.47105505 6.58997627 -0.00151855 -0.00185007 -0.00898646 -0.02991544 -0.01995733 -0.04830855 -0.00373090 -0.00251027 -0.00288435 +H 5.30161995 5.44670906 7.25984678 0.02836379 0.01060748 -0.01631189 0.08187572 -0.03748990 -0.08920203 -0.01596572 -0.01788379 -0.01014368 +C 7.45185062 6.90711521 6.15260537 0.00092355 0.00346191 0.00146295 0.01360139 0.01151928 0.03705313 0.00182569 -0.00108992 0.00912462 +H 6.46288021 7.87031797 4.79339256 -0.01542770 0.00978120 0.01610009 -0.03059975 0.09512520 0.02405027 0.00565052 -0.01171284 0.01730306 +O 7.49012232 6.30522836 7.20123290 -0.00016528 -0.00461927 0.00693785 -0.00172296 -0.03606605 0.04687726 0.00012359 -0.00483192 0.00554125 +C 8.78306004 7.42524129 5.66626798 -0.00279047 0.00130919 0.00015946 -0.02551880 0.04020421 -0.02650489 -0.00228159 0.00962706 -0.00542449 +H 8.77733593 8.43970915 6.01004701 0.00630609 0.00297326 0.00666343 0.11896460 0.01902337 0.08125167 0.02504693 -0.00858544 0.00925074 +H 9.66276582 6.92080570 6.08281097 -0.01034543 0.00553764 -0.05089579 0.01322792 -0.07982718 -0.25156410 -0.00025249 -0.02079774 -0.01840179 +H 8.84610017 7.55196931 4.57497618 0.00329263 0.01278984 -0.00853102 -0.03951034 0.00827040 0.00571113 -0.02031971 -0.00216127 -0.00640341 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94109116 5.65912012 5.79655265 -0.00633216 0.00194842 0.00181543 -0.01602212 0.02168614 0.01742902 0.00248679 0.00346510 0.00455473 +C 2.30720118 5.94847142 5.97830226 -0.00112944 0.00429337 -0.00102768 -0.02211695 0.03134874 -0.02669194 -0.00385283 0.00282336 -0.00215568 +H 0.57007509 6.04132711 4.97209459 0.00605624 0.01826338 0.00102356 0.03683773 0.08250816 0.06625617 -0.01132286 0.01825374 -0.01004999 +C 3.04292748 5.66100078 7.11363230 0.00171932 0.00052654 0.00002429 0.00893114 -0.01080473 0.03281318 0.00323427 -0.00035517 0.00166427 +H 2.58913514 7.00739628 4.01157594 -0.03239938 -0.03957666 0.00455447 -0.22638115 -0.27931982 0.02946721 -0.02713785 -0.02551164 -0.01374923 +C 4.39702871 5.97111545 7.25097001 0.00980346 -0.00348977 -0.00103826 0.05915314 -0.03062934 -0.00160113 0.00464736 -0.00491884 0.00024330 +H 2.58961393 5.18491407 8.06052184 0.01267173 -0.02200818 0.00014941 0.02392862 -0.07491474 -0.15215445 -0.02890233 -0.02407288 0.01110637 +C 5.12933801 6.46559930 6.18699375 0.00334691 0.00133069 -0.00102752 0.01270377 0.02091318 -0.01811462 -0.00089999 0.00384697 -0.00348853 +H 4.92436013 5.79962843 8.18739674 0.00956667 0.01823806 -0.00429324 0.03932091 0.02374145 0.01451702 0.00542128 -0.01495430 0.00833859 +C 4.40589855 6.84362873 5.05212672 -0.00349708 0.00088109 -0.00492814 -0.02406838 0.00677894 -0.03097295 -0.00247783 0.00345886 -0.00715915 +N 6.48006376 6.69686229 6.37125279 0.00137041 -0.00196233 0.00343503 -0.00812404 -0.01118653 0.02956885 -0.00150429 0.00081710 0.00203471 +C 3.03648406 6.61662762 4.95066903 -0.00445473 -0.00549447 -0.00597216 -0.04833047 -0.04385189 -0.04229145 -0.00799462 -0.00748863 -0.00493698 +H 4.87257530 7.33514611 4.27225029 -0.02855136 0.01258574 0.01262829 -0.05606693 0.13699692 -0.09333474 -0.00526426 -0.00346128 -0.00118496 +C 7.36974740 7.30724318 5.63355335 -0.00014012 -0.00068218 -0.00389577 0.02620012 -0.00234872 -0.02276750 0.00649749 -0.00195123 0.00094825 +H 6.74344102 6.42850304 7.32291708 -0.01243018 0.02273380 0.01430480 0.03039793 0.12557542 0.02753130 0.01901185 0.00624594 0.00652501 +O 7.23127933 7.87492256 4.55229552 0.00186138 0.00002330 0.00386292 -0.00069537 -0.00008734 0.01642114 -0.00198632 0.00043826 -0.00025185 +C 8.73415673 7.31381024 6.20041337 0.00673621 0.00190236 0.00581965 0.03648240 0.00540994 0.03594079 0.00285289 -0.00007559 0.00646897 +H 9.18319481 6.34248975 6.14174221 -0.00751856 0.00294278 0.00256486 0.05157583 -0.02467688 -0.05133375 0.01477983 0.00609286 -0.00946338 +H 9.34967297 8.11771806 5.78910159 -0.01694699 -0.00442320 0.00419666 0.01120609 0.02272865 -0.01879970 0.01621623 0.00520444 -0.00338452 +H 8.64699337 7.47479044 7.23740330 -0.02610121 -0.00405577 -0.02945727 -0.11592083 0.07624213 0.10770897 0.00624575 0.01442478 0.01556948 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02798399 5.70822884 5.79089273 -0.00453244 -0.00154686 0.00354227 -0.04360775 -0.01612918 0.03433380 -0.00606005 -0.00249282 0.00638254 +C 2.31515880 5.94051688 5.97630669 0.00307214 0.00039985 0.00125517 0.01013446 0.01344425 -0.01786710 -0.00271192 0.00231778 -0.00606658 +H 0.61393539 6.19212756 5.05489633 0.00358517 0.00508307 0.01902182 0.00332209 0.06282454 0.07393267 -0.00881916 0.01364643 -0.00172195 +C 2.96531267 5.56816163 7.13089657 0.00026912 -0.00316053 -0.00595045 0.00985199 -0.02172822 -0.02751630 0.00247862 -0.00232283 -0.00211053 +H 2.43757890 6.86123778 4.07558690 0.00407897 0.01737223 0.02608342 -0.05477151 0.15037411 -0.04298472 -0.00394407 0.01267543 -0.01246151 +C 4.34810211 5.82282534 7.19110475 0.00163573 -0.00301097 -0.00234068 0.01267174 -0.02518199 -0.00035543 0.00523296 -0.00310898 0.00341961 +H 2.42858700 5.08376776 7.92466972 -0.02865754 0.02620678 0.01025544 -0.07244646 0.14356403 -0.01043576 0.01053204 0.00843229 -0.01082671 +C 5.05065234 6.52012075 6.19628031 0.00623555 0.00143982 0.00096150 0.08242862 0.01339935 0.00722208 0.01173761 0.00059948 0.00016405 +H 4.81064921 5.38624565 8.02226306 0.00024426 0.01200816 0.00783356 0.06676157 0.14329130 0.10147697 0.00097863 0.03099239 -0.00152807 +C 4.38184711 6.89077820 4.99870208 -0.00523556 -0.00865762 -0.00616008 -0.02711322 -0.07156115 -0.00851757 0.00095844 -0.00858512 0.00068042 +N 6.48946362 6.76138397 6.45097456 0.00832331 0.00688360 0.00198603 0.03101310 0.03365391 0.00059544 -0.00039292 0.00275492 -0.00250824 +C 2.99640857 6.58153294 4.93631376 -0.00771314 0.00298940 -0.00424419 -0.03174673 0.02639174 -0.02531623 -0.00259557 0.00478035 -0.00416458 +H 4.97034546 7.28563634 4.24405809 -0.01477320 -0.00472625 -0.00553677 -0.16890032 0.05001636 -0.14428341 -0.04251426 -0.00280578 0.00331996 +C 7.43180625 7.33693542 5.67199232 -0.00019431 -0.00131410 -0.00156343 -0.01105658 0.01022539 -0.02233980 -0.00130739 0.00401135 -0.00344118 +H 7.00008967 6.44851485 7.29361763 0.01653938 0.00044401 -0.00684983 -0.08044534 -0.06812870 -0.01743539 -0.02240861 -0.02101330 0.01417810 +O 7.12513000 8.00712410 4.68307015 0.00146906 0.00394732 -0.00154855 0.01691531 0.02223027 -0.01001860 0.00302812 0.00251570 -0.00168841 +C 8.90105203 7.22802484 6.07407564 -0.00162804 -0.00428274 0.00834358 -0.02494656 -0.03258287 0.05534010 -0.00282203 -0.00705132 0.00510401 +H 9.51454728 8.02979132 5.67007947 -0.00579054 -0.02021605 0.00774363 -0.02082336 0.00229528 0.07236830 -0.00595797 0.01141801 0.01269267 +H 8.91921642 7.14337570 7.16882083 -0.00441513 0.00878518 -0.00533075 0.04852888 0.10633706 0.06439374 0.01270929 0.01492999 0.02004279 +H 9.33895218 6.36956584 5.72456094 0.00455284 0.00713688 0.00310248 0.03050198 -0.11132432 -0.02235430 -0.01771709 0.00460191 0.01308982 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03234881 5.79263799 5.75686889 -0.00550681 0.00020894 -0.00494198 -0.02597192 -0.00494246 -0.04482232 -0.00261865 -0.00053471 -0.00538371 +C 2.34362143 6.10471200 5.80779289 0.00955495 0.00607713 -0.00282149 -0.00678461 0.02895059 -0.01190908 -0.01180194 0.00032347 -0.00046104 +H 0.54269631 6.04894009 6.50980797 0.00813291 -0.03098397 -0.01326943 -0.02289021 -0.14390282 0.03941844 0.00742423 -0.01883760 -0.01261642 +C 2.63126595 7.42906476 6.14051637 -0.00355184 -0.00579823 0.00558647 0.03142361 0.00223241 0.04886273 0.00935165 0.00746857 0.00845468 +H 2.99643665 4.07361043 5.51345300 -0.00493176 -0.00165940 -0.01047579 -0.01544907 0.00374238 -0.05980737 0.00094720 0.00092634 -0.00260488 +C 3.99890245 7.86578525 6.23080252 0.00241908 0.00066549 -0.00206635 -0.01675704 -0.01649980 -0.03227708 -0.00372125 -0.00475939 -0.00598203 +H 1.88740466 8.16263340 6.32858318 0.03394273 0.01886822 0.03314333 0.08060611 0.06021417 0.15741555 -0.00247501 -0.01657615 0.00522514 +C 5.00128584 6.94605937 5.94862613 0.00268023 0.00202592 0.00029840 0.00531030 -0.02793101 0.01729419 -0.00086268 -0.00667817 0.00441268 +H 4.22322912 8.92507275 6.37218271 0.01113320 -0.02378371 -0.00298793 0.06182249 -0.03689350 0.06727951 -0.00037967 0.00654441 0.01726586 +C 4.62023628 5.53519560 5.78749316 0.00221609 0.00276508 0.00086732 0.02121036 0.03119068 0.00200235 0.00403829 0.00119424 -0.00019355 +N 6.28990762 7.38910482 6.13799818 -0.00005520 0.00164066 -0.00234987 0.01814864 0.01546006 -0.01458652 0.00566347 0.00263335 -0.00184421 +C 3.28373260 5.11332323 5.66165494 -0.00818529 -0.00521476 0.00633608 -0.01148541 -0.01728216 0.04188373 0.00598201 0.00226988 0.00486103 +H 5.35346796 4.79397592 5.73309160 0.01093750 0.01300773 0.00878619 0.10475778 0.03461960 0.02168038 -0.00673151 0.01488482 -0.00312842 +C 7.47975735 6.85792338 5.93220543 0.00812430 -0.00039746 -0.00399940 0.04563886 -0.01501192 -0.05488864 0.00107550 -0.00024275 -0.00914438 +H 6.39767161 8.33250214 6.46216431 -0.00091703 -0.01563259 -0.00253127 -0.04888219 0.03909091 0.02357834 -0.00950472 0.00871285 0.00179454 +O 7.62698328 5.72541162 5.41595381 -0.00384350 -0.00086237 0.00321459 -0.01983724 -0.00063835 0.02957067 -0.00088091 -0.00096284 0.00423468 +C 8.72392808 7.76247251 6.08985975 -0.00235364 0.00497637 0.00053613 -0.03150788 0.02443083 0.00565820 -0.00215168 -0.00068020 0.00005438 +H 8.91106433 8.40167743 5.25289233 -0.01216087 -0.00472675 -0.00275723 -0.09998215 -0.00601019 -0.08581231 -0.01612654 -0.00244445 0.00025924 +H 8.57547131 8.45339084 6.91699511 -0.01463055 -0.01478980 0.00731025 -0.04662081 -0.09071705 0.11046491 0.00286081 -0.01017461 0.01434993 +H 9.56644220 7.19725112 6.22525577 -0.01225837 -0.01349126 -0.01359437 0.02007412 -0.10650009 -0.02756706 -0.02192664 0.01730006 -0.00053345 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96839138 5.63564308 5.92587763 0.00112857 -0.00679972 -0.00295505 0.00418394 -0.03893578 -0.01783463 0.00066815 -0.00429442 -0.00284407 +C 2.24782374 6.10109490 5.89793827 -0.00450655 -0.00014367 -0.00389544 -0.00199213 0.01513559 -0.01613669 0.00232655 0.00407464 0.00003577 +H 0.61970056 5.08554080 5.20804277 0.02140655 0.00560076 0.00232926 0.18347218 -0.04372720 -0.08805720 0.02626555 -0.01320423 -0.01709148 +C 2.59956690 7.25786699 6.63115002 0.00029297 -0.00061112 0.00204684 0.04331662 -0.01341238 -0.00300086 0.01087772 -0.00249715 -0.00270368 +H 3.10963356 4.52118170 4.67522079 -0.01111924 -0.02450772 -0.01449713 -0.03353335 0.07875903 0.02335823 -0.00845979 0.01038721 0.00028303 +C 3.98434932 7.59972910 6.78384149 0.00664489 0.00536666 -0.00242661 0.01836246 0.03694222 -0.03162263 -0.00190898 0.00577861 -0.00474047 +H 1.84429387 7.98570081 7.02479916 0.04288532 -0.01266169 -0.01892939 0.04796675 -0.04235892 0.05032760 -0.02921055 0.00122350 0.03267223 +C 5.04608090 6.90591421 6.09970206 -0.00474702 0.00029080 0.00313813 -0.02022863 0.01886790 0.04459272 0.00158243 0.00358969 0.00764684 +H 4.16336715 8.53544785 7.30358013 -0.00285945 -0.00789719 -0.00139067 0.07039862 -0.01734086 0.05789492 0.01822571 0.00068849 0.01171171 +C 4.67067916 5.79955682 5.33582376 0.00020721 0.00012183 0.00414882 -0.01036754 0.00835805 0.03173213 -0.00741215 0.00318985 0.00597564 +N 6.36929119 7.33314505 6.34922376 0.00340104 0.00284571 0.00319335 0.01206373 -0.00425491 0.01284836 0.00076433 -0.00253940 0.00150250 +C 3.33178049 5.44416517 5.22632112 -0.00567742 0.00560958 0.00443395 -0.05873865 -0.00899239 0.01371926 -0.00647892 -0.00460143 0.00074331 +H 5.46853999 5.16738494 4.83697910 -0.01034977 0.02060527 0.01485822 -0.08067898 0.02716892 0.02433717 0.01326894 -0.02681964 -0.01924443 +C 7.50260230 6.87484596 5.76359443 0.00889172 -0.00063257 0.00058957 0.03603507 0.00793550 -0.01233142 -0.00195344 0.00201106 -0.00382844 +H 6.42603725 7.93056955 7.12965133 -0.00560973 0.01221151 -0.00445220 0.06431247 0.12943097 -0.06052781 0.01888953 0.00531316 -0.02926385 +O 7.50835046 6.05467635 4.80147665 -0.00330661 0.00039466 -0.00525691 -0.00736309 0.02093566 -0.01302108 0.00142226 0.00537410 0.00133073 +C 8.80407686 7.62386589 6.23004018 -0.00281425 -0.00235881 0.00011989 -0.02599678 -0.03964005 -0.00375301 -0.00240484 -0.01037762 -0.00005316 +H 9.57244965 7.19456136 5.60770194 -0.00302737 -0.01211690 0.00137038 0.03565501 -0.03667027 0.04662316 0.00692770 0.00258958 0.01743322 +H 8.75475878 8.73346388 6.02200145 -0.01102201 -0.00471809 -0.02263365 -0.05917123 -0.12317580 -0.07220340 -0.00616111 -0.00152387 -0.00376783 +H 9.03646094 7.36929340 7.23433688 -0.01263780 -0.00546594 0.03213725 -0.11193952 0.07252958 0.05301187 -0.01953997 0.02558298 -0.02624172 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03345878 5.56788534 5.72206908 0.00170787 -0.00589476 -0.00033986 0.01618058 -0.03294338 0.00624550 0.00279392 -0.00323716 -0.00057554 +C 2.30460856 6.09622711 5.73850448 -0.00235092 0.00389953 0.00408476 -0.02942976 0.01233294 0.01813724 -0.00338549 0.00043638 0.00074660 +H 0.81128114 5.34130248 6.64532181 -0.01313487 0.00343166 0.01212446 -0.11605146 0.01607560 -0.07072277 -0.02864522 -0.00723300 0.01140447 +C 2.86034886 6.75843389 4.63186250 -0.00345778 0.00195827 0.00130709 -0.05205255 0.02404753 -0.01265493 -0.00959671 0.00378708 -0.00110267 +H 2.71327251 5.37622439 7.76874915 0.01961250 -0.00855777 0.01839980 0.12429958 -0.01444012 -0.05300642 0.01140266 -0.00011193 -0.02253310 +C 4.17387690 7.22010090 4.60198450 -0.00198109 0.00165729 -0.00524381 -0.00639015 0.00077720 -0.01584720 -0.00257588 -0.00179222 0.00086351 +H 2.26892648 6.98440583 3.73399749 -0.03953621 0.00747085 0.00142024 -0.16803878 -0.03072095 0.13859135 -0.01782994 -0.00662720 0.00926763 +C 5.01139153 6.94353801 5.71657732 -0.00249997 -0.00000275 0.00427033 -0.01570995 0.03074005 -0.00745902 0.00046097 0.00867866 -0.00648368 +H 4.56389388 7.73711096 3.70427836 -0.01952449 0.00048691 -0.00296304 -0.10195771 0.01025458 -0.01393325 0.00067960 0.00810020 -0.01074961 +C 4.39300021 6.33733641 6.82328244 0.01008266 0.00756686 -0.00299449 0.05507251 0.02937392 -0.00930490 0.00674740 0.00017633 0.00393457 +N 6.32390532 7.41612939 5.65925686 0.00425648 -0.00439513 0.00137773 0.03023786 -0.04384543 0.00173172 0.00253169 -0.00660374 -0.00351024 +C 3.06298445 5.86317814 6.87115290 0.00591585 0.00109671 -0.00604590 0.06784040 0.01839212 -0.02439593 0.01241407 0.00408532 -0.00171108 +H 5.01349182 6.11301122 7.64339343 -0.01853716 0.01700757 -0.03116766 0.07919014 0.07898980 0.10492168 0.01490119 0.01208880 0.01953922 +C 7.46095162 6.91384854 6.22527030 -0.00126986 -0.00830661 -0.00592746 0.00999891 -0.03306195 -0.05691465 0.00489506 -0.00334314 -0.00609622 +H 6.51966035 8.08314294 4.93559556 0.00398473 -0.02674087 -0.00774239 0.02491128 -0.11652498 -0.07819123 0.00288845 -0.01131335 -0.00452086 +O 7.51149165 6.07244838 7.07676191 -0.00661598 0.00118042 0.00238749 -0.05272995 -0.00507095 0.02639165 -0.00800261 -0.00170848 0.00379592 +C 8.82702158 7.46232412 5.70657793 0.00504239 0.00665794 0.00564136 0.01628246 0.02051418 0.05791487 -0.00176441 -0.00087874 0.00865875 +H 9.09203330 8.34846540 6.30535287 -0.02478848 -0.01837345 0.02413426 -0.11453619 0.01690330 0.11574032 -0.00261004 0.02107774 0.00628380 +H 9.58038095 6.73109141 6.04786709 0.00103821 -0.00176788 -0.01699911 0.02238160 -0.00378974 -0.09974775 0.01149461 -0.00208899 -0.00362925 +H 9.05522779 7.59596856 4.65253309 -0.00333629 -0.01015874 0.00963190 -0.13376533 0.02718971 0.01629927 -0.03052289 0.02351379 0.00678367 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97056414 5.88569178 5.78147761 -0.00152618 0.00263599 -0.00189652 0.00234569 0.01172782 -0.00565273 0.00263473 0.00067429 -0.00108197 +C 2.32603179 6.00909971 5.91777745 0.00432053 -0.00313324 0.00768822 0.02541536 -0.01234340 0.03828310 0.00163973 0.00091130 -0.00058042 +H 0.70490838 5.83748651 4.90971947 0.02048306 0.01031668 -0.00867159 0.09408637 0.08667265 -0.05692870 0.01030305 0.01434565 0.02115002 +C 3.02780986 5.67712677 7.11692113 0.00985418 0.00417218 -0.00858286 0.03996242 0.00800512 -0.03268824 0.00070155 -0.00286191 0.00141993 +H 2.63337961 6.73601543 3.95031943 -0.03155150 0.01571618 -0.00427354 -0.12888486 0.13313404 0.04608134 0.00844818 0.01278157 0.03008877 +C 4.40609762 5.94494819 7.27047925 0.00428417 -0.00349482 0.00261483 -0.00320410 -0.04583858 0.05779564 -0.00257908 -0.00736281 0.01150706 +H 2.53496246 5.18295084 7.93107062 -0.00546743 -0.01646233 0.00304648 -0.01324112 0.06215013 -0.08080446 -0.00324394 0.02586965 -0.01324846 +C 5.18575372 6.31499765 6.22794283 -0.00519361 0.00198617 0.00545691 -0.02548297 0.04792034 0.00610689 -0.00228751 0.00990997 -0.00234607 +H 4.70440087 5.76812013 8.26866932 -0.02833192 0.00864507 0.03205584 0.00871386 0.03824848 0.08085209 0.02664978 -0.00121948 -0.01505236 +C 4.48227427 6.66216082 5.03547921 -0.00104772 -0.00648491 -0.00380167 -0.01071047 -0.04004359 -0.03298926 -0.00121004 -0.00388721 -0.00646820 +N 6.52673550 6.60429142 6.46152840 0.00153557 -0.00013320 -0.00379287 -0.00032060 -0.01170734 -0.03675233 -0.00184536 -0.00407553 -0.00459286 +C 3.07553902 6.52891538 4.87499016 -0.00388422 0.00179946 -0.00075784 -0.01650811 0.00569314 -0.00848559 -0.00207011 0.00002862 -0.00156062 +H 4.97462028 7.09845053 4.21377168 0.00747224 -0.00067054 -0.00222661 0.02232734 -0.07118854 -0.06499384 -0.00854475 -0.02425604 -0.00469937 +C 7.33283997 7.33088250 5.65150497 -0.00190810 0.00182343 0.00149655 0.00264525 0.01090224 0.04044730 0.00178195 0.00308523 0.00655322 +H 6.93187972 6.14305885 7.23696187 -0.00647738 -0.01659783 -0.00917061 0.00906394 -0.05696607 -0.04043185 0.00214225 0.00791367 -0.01433100 +O 6.98786393 7.96336529 4.70455681 0.00086501 -0.00175214 -0.00152229 0.00310834 -0.00085142 -0.02699067 0.00053956 0.00073707 -0.00460610 +C 8.78943778 7.41247524 6.06371861 -0.00252983 0.00216022 0.00561108 -0.01514778 0.00319457 0.03083484 -0.00311847 -0.00016416 0.00438743 +H 9.17910815 6.37488611 5.92044428 -0.02498612 -0.02980291 -0.00498548 -0.09830565 0.06940571 -0.05099054 0.00967381 0.01725049 -0.00827308 +H 9.27277190 8.21917785 5.46680878 -0.00006313 0.02136222 -0.01807667 -0.01836832 -0.10131909 0.02211126 0.00604697 -0.02759672 0.00600660 +H 8.86179799 7.60000392 7.14222398 0.01166135 0.00927521 0.00338803 0.07860333 0.09813962 -0.00935819 0.00888608 0.01320581 -0.00139774 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.93098547 5.82371444 5.69993190 0.00059577 -0.00093317 0.00401533 0.01628229 0.01119985 0.04529811 0.00315113 0.00180821 0.00760550 +C 2.25815876 6.16948064 5.91942305 0.00445646 0.00378088 -0.00391594 0.02172544 -0.01762229 -0.05411442 0.00084742 -0.00765711 -0.00958509 +H 0.80758132 4.99452466 5.26621530 -0.01567872 0.01223386 0.03473261 -0.09530457 -0.05150723 0.15214508 -0.00176839 0.00643362 0.02254299 +C 2.68014092 7.14476773 6.82754209 -0.00133570 -0.00508850 -0.00330214 -0.00739556 -0.01434075 -0.00485674 0.00159267 0.00026042 -0.00067267 +H 2.92691018 4.52333903 4.63068263 0.00121810 -0.01154998 -0.00121245 0.02977692 0.01059402 -0.06398827 -0.00108749 -0.00164161 -0.02785591 +C 4.02174533 7.52954109 6.85424321 -0.00026847 0.00456789 -0.00117966 -0.00899415 0.04851684 0.01691298 -0.00395274 0.00628965 0.00424688 +H 2.01753471 7.59167878 7.57965193 0.00464376 0.01403330 0.01578512 0.00451631 0.04043527 -0.10657848 -0.02049053 0.00459760 -0.02720920 +C 4.98613335 6.88108339 6.08309488 -0.00707351 0.00549239 0.00793927 -0.01498833 0.00346615 0.01639334 0.00314451 -0.00390462 -0.00273117 +H 4.35090546 8.32321618 7.51298399 -0.00531813 0.02844224 0.02318762 -0.11532125 0.02557306 0.01689020 -0.01578027 -0.00343638 -0.00627005 +C 4.58684797 5.76193743 5.25528706 -0.00098493 -0.00937981 -0.00560457 0.00703362 -0.00277039 0.00543521 0.00308601 0.00765546 0.00558141 +N 6.31532839 7.39347874 6.17253064 -0.00159249 -0.00048830 0.00112458 -0.00336911 -0.01340276 0.01434222 0.00024088 -0.00230203 0.00363112 +C 3.24591843 5.41544115 5.19987242 0.00065351 -0.00428070 -0.00967093 -0.02010063 -0.02699629 -0.05672370 -0.00328767 -0.00164908 -0.00548739 +H 5.34928172 5.21501640 4.70655672 -0.00684165 0.04079375 0.01547807 0.07358094 0.07311736 -0.06204532 0.00791311 -0.01264583 -0.01864175 +C 7.54205152 6.88962735 5.77915750 0.00196377 0.00533198 0.00103447 -0.01394519 0.01702930 0.00641140 -0.00485825 -0.00262370 -0.00010499 +H 6.39971112 8.18059146 6.76737364 0.00934428 -0.01088818 0.02519174 0.03843317 -0.04545690 0.06310774 -0.00154061 -0.00689018 -0.01181223 +O 7.69940986 5.72651024 5.36895930 -0.00153951 -0.00606165 0.00023751 -0.01020273 -0.01607302 0.00709302 -0.00151863 0.00260430 0.00213726 +C 8.73648026 7.87801342 5.87969603 0.00194920 0.00042480 -0.00084432 0.01570581 -0.00372143 -0.01332783 0.00076831 -0.00052608 -0.00344618 +H 9.00129343 8.06044550 4.82505825 0.00003617 0.02689831 -0.01913329 0.05156507 0.11265827 0.07394641 0.01494981 0.00421086 0.01814639 +H 8.41144804 8.84912479 6.31748199 0.03527712 0.00844547 -0.00088822 0.21414661 -0.00885662 0.01221412 0.01319105 -0.00012598 0.01199067 +H 9.57158288 7.42304747 6.49188630 0.02204859 -0.00071684 0.00894556 -0.00133412 0.06459931 -0.11717846 0.00704707 -0.00286972 -0.02062431 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95089558 5.89295585 5.80446409 0.00083967 -0.00288448 -0.00024953 0.02131631 -0.01228636 0.00301983 0.00232275 -0.00208945 -0.00086570 +C 2.32903160 6.14172451 5.88580393 -0.00364541 -0.00210156 0.00327766 -0.04304546 -0.02373839 0.03916503 -0.00493540 -0.00476700 0.00552785 +H 0.75884268 5.45545425 5.01544335 -0.00561343 0.01323040 0.01234212 -0.08865928 0.02514245 -0.03276902 -0.00337682 0.01396532 0.01593752 +C 2.83110726 6.66777454 7.10273279 0.00762217 0.00166171 -0.00909325 0.02314890 0.01876300 -0.05179780 -0.00198232 0.00403348 -0.00358281 +H 2.81441947 5.33776493 3.92052546 -0.00585560 -0.01435314 0.01117340 0.04952580 -0.08979997 0.15449055 0.00486153 -0.02292114 -0.00287084 +C 4.21102196 6.91166955 7.28605547 0.00219217 -0.00425431 -0.00024222 -0.00898582 -0.02354923 -0.00372013 -0.00119438 -0.00083856 -0.00049640 +H 2.06562912 6.93342624 7.82547926 0.00383388 0.01474041 -0.00929868 0.12472114 0.09493886 -0.02208296 0.01951616 0.01437375 0.00739032 +C 5.06550801 6.61066324 6.25722209 -0.00419952 -0.00806719 -0.00806395 0.01701867 -0.02174031 -0.00455391 0.00722549 0.00189238 0.00691307 +H 4.49446126 7.38348208 8.18599905 0.00695154 0.02108997 -0.01940047 0.08470788 0.11965434 -0.06817937 0.00232524 -0.00359246 -0.01509386 +C 4.58035649 5.98613229 5.12223616 -0.00313028 0.00931224 0.00913274 -0.01949832 0.03911408 0.00059331 -0.00441080 0.00142800 -0.00914986 +N 6.39944067 7.05343336 6.48069552 -0.00424163 0.00237432 -0.00549215 -0.02816806 0.01073348 -0.05382141 -0.00266930 0.00073795 -0.00971202 +C 3.20740452 5.74551220 4.89507673 -0.00276446 0.00131341 0.00680167 -0.01310413 0.00933083 0.03731672 -0.00066124 0.00215641 0.00737295 +H 5.36103001 5.75035819 4.39773671 -0.01100052 0.01128541 -0.01607428 -0.23279781 0.03280917 -0.12719625 -0.02552235 -0.00067806 -0.02712611 +C 7.43160268 7.10110459 5.60960087 0.00740945 0.00179606 0.00105681 0.01508902 0.00547017 0.03623990 -0.00360685 -0.00204318 0.00449669 +H 6.59509860 7.46032533 7.41650627 0.01120521 0.00482585 -0.01798595 0.01941218 0.01994156 -0.10631029 -0.00690304 0.00814218 0.00782299 +O 7.36684996 6.65321339 4.50692180 0.00327241 0.00039781 -0.00011607 0.03431167 0.00228821 -0.01852290 0.00639112 0.00077895 -0.00331535 +C 8.70199667 7.69682459 6.16570101 -0.00057630 -0.00260132 0.00951494 -0.00189732 -0.02384865 0.03339178 -0.00115073 -0.00023645 0.00214413 +H 8.62884420 8.73705716 6.27226629 -0.02104708 -0.01123830 0.01492407 -0.11547446 0.03481780 0.09624051 -0.00520492 -0.01525873 0.01175919 +H 8.91943019 7.24885260 7.16441071 -0.01730119 -0.00393415 -0.02088263 0.00397328 -0.11815425 -0.01891473 0.01896385 -0.02746878 0.01795410 +H 9.41253923 7.40527145 5.37223541 -0.00214797 0.00587277 -0.02024533 0.03573438 0.13086949 0.08636526 0.02181656 0.02462000 0.02795241 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02472795 5.68358213 5.76645274 0.00203933 -0.00309691 -0.00290625 0.01646754 -0.00514461 -0.02165963 0.00109363 -0.00158154 -0.00290734 +C 2.33613900 6.12669076 5.84278410 -0.00226371 -0.00093974 -0.00744300 -0.02397479 -0.01005651 -0.04600466 -0.00238255 0.00103669 -0.00466823 +H 0.87976333 4.77670039 5.89729231 -0.00378306 0.01954779 0.01128418 0.00490470 -0.02244220 0.08934656 0.01233762 0.01629364 0.00533686 +C 2.64029819 7.48021086 5.94761341 -0.00347626 0.00348574 0.00411811 -0.03832212 0.03549793 0.01478602 -0.00632220 0.00464305 -0.00084665 +H 3.21922895 4.15518960 5.77402240 0.01882133 0.01198219 0.00129262 0.04466810 -0.02679912 0.01454927 -0.00425149 0.00677300 0.00575150 +C 3.95989901 7.95665311 6.04745531 -0.00129092 0.00522360 0.00010146 -0.01308494 0.01075442 0.00059726 -0.00393551 -0.00003295 0.00141413 +H 1.80021713 8.15184650 5.90383565 -0.00292832 0.01432864 -0.01699800 0.02593396 0.10041391 -0.03247976 0.00503998 0.01191257 0.01039153 +C 5.00064452 6.99569996 5.98242452 -0.00034084 -0.00488065 0.00256716 -0.02465748 -0.00167344 0.02401780 -0.00618187 0.00361631 0.00361784 +H 4.17338157 8.99342869 6.11424298 -0.02807085 0.00221020 0.02533414 -0.13607633 0.05629169 0.15822404 -0.00478137 -0.01097319 0.01030351 +C 4.69440680 5.67737506 5.83731563 -0.00044043 -0.00002775 -0.00060363 -0.01244755 -0.03368704 0.01289225 0.00106093 -0.00834824 0.00491257 +N 6.27340196 7.40690631 6.18287366 -0.00747212 -0.00419004 -0.00308189 -0.00950398 0.00376855 -0.03181471 0.00514114 0.00245306 -0.00560514 +C 3.37178317 5.19818209 5.81381920 0.00162015 0.00353222 0.00717741 0.01600426 0.02577197 0.04035107 0.00057837 -0.00017238 0.00356937 +H 5.40506280 4.93252833 5.94928577 0.01054520 0.01933566 0.01349383 0.09519727 -0.01404124 0.00726336 -0.01331146 -0.00617846 -0.01452771 +C 7.46200362 6.82086437 5.88832105 0.00574656 -0.00351652 0.00279579 0.01007260 0.00042885 0.04225312 -0.00283913 0.00321551 0.00813895 +H 6.26575426 8.42630449 6.33176534 -0.00111293 0.00780701 0.01309072 0.07840837 -0.08125536 0.09292864 0.01841020 0.00489472 0.01704106 +O 7.53333275 5.62426188 5.71372408 0.00655905 0.00478312 -0.00105266 0.06291640 0.01754064 -0.01549009 0.01093838 0.00009647 -0.00316077 +C 8.72298145 7.71169011 5.91043477 -0.00314629 -0.00269262 0.00041359 0.00838700 -0.03188750 -0.01662540 0.00047138 -0.00282555 -0.00070176 +H 8.85830109 8.22053943 4.92274335 -0.02117643 -0.00324589 -0.03395731 -0.14056052 -0.13666787 0.01345807 -0.01434328 -0.01506897 0.00683277 +H 8.72948980 8.45752246 6.62852912 0.00566716 -0.00874318 -0.00037313 -0.04535081 0.02469243 0.07130103 -0.00796580 -0.01811156 -0.01321732 +H 9.67331225 7.16345117 6.19544529 0.03219306 -0.03395778 -0.01625908 -0.12534870 -0.09150223 -0.24397530 -0.02058928 -0.01355185 -0.03764416 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95951445 5.89000352 6.03908770 0.00347688 0.00485148 -0.00309523 0.02464094 0.02554546 -0.00479802 0.00194087 0.00276860 0.00011016 +C 2.32143557 5.99441392 5.98349087 0.00438291 -0.00145704 -0.00285356 0.00936120 -0.01178682 -0.00464917 -0.00031712 -0.00207104 0.00301604 +H 0.39888570 6.15522203 5.31182494 0.00086062 -0.02718834 0.01921625 0.01422214 -0.12940950 -0.06872001 0.02026945 -0.01437117 -0.01654048 +C 3.05873017 5.84065922 7.13532567 0.00145656 -0.00327196 0.00320698 -0.01276437 -0.02664712 0.02864146 -0.00588369 -0.00349840 0.00463957 +H 2.26934485 6.53942219 3.99453576 0.01378557 -0.01366859 0.01811054 0.13900923 -0.06794130 -0.06135961 0.02937087 -0.00429921 -0.01851704 +C 4.42432426 6.06249662 7.17949904 -0.00598100 0.00045735 -0.00124693 -0.03156472 -0.01821260 0.02156662 -0.00204558 -0.00503688 0.00556235 +H 2.52315182 5.48542603 8.00713252 0.00141974 0.02094666 0.00349928 0.00497371 0.15883288 0.10077317 -0.00110644 0.01886697 0.01896260 +C 5.14030402 6.34416287 6.03092434 -0.00185498 -0.00403757 0.00655156 -0.00919909 -0.00806610 0.01009194 -0.00133277 0.00208245 -0.00543491 +H 4.87180129 5.88393139 8.15798717 -0.01393137 0.00144574 0.00995870 -0.02235961 0.06238417 -0.00725256 0.01264535 0.01291019 0.00364849 +C 4.38364752 6.55066911 4.83629699 -0.00378993 0.00171285 -0.00978644 -0.00656856 0.00406544 -0.04501495 0.00364483 -0.00075128 0.00043379 +N 6.53173499 6.50376272 6.22542534 0.00058380 0.00081713 -0.00081260 -0.00330783 0.00737361 -0.00580968 -0.00235596 0.00252654 -0.00235724 +C 2.93783013 6.34004317 4.80885694 0.00526636 0.00020587 0.00894248 0.06788040 0.01739809 0.03990090 0.01031434 0.00396627 -0.00036841 +H 4.99763919 6.84950905 3.97450157 -0.01221871 0.00921178 -0.01824768 -0.20370926 0.03782690 -0.11884673 -0.02853696 0.00281281 -0.02060797 +C 7.39108223 7.36061395 5.66061200 0.00069453 0.00740716 0.00232713 0.00601340 0.03093772 0.01995135 -0.00093727 0.00012331 0.00291492 +H 6.96299936 6.00478385 7.01663177 0.01971409 -0.01622429 -0.00788119 0.00225797 -0.04554624 -0.10880869 -0.00641350 -0.01162215 0.00038040 +O 7.21220925 7.96079318 4.59671876 0.00341029 -0.00253863 0.00112407 0.02331560 -0.01233149 0.01063093 0.00315334 -0.00058148 0.00151822 +C 8.71744897 7.46699802 6.47516485 -0.00702180 -0.00330321 -0.00507783 -0.04240837 -0.01304164 -0.03278877 -0.00688284 -0.00202543 -0.00447054 +H 9.42666398 6.65860619 6.19402758 -0.00339420 0.01060699 -0.02323494 -0.06779235 0.05872567 -0.14500044 -0.00266088 -0.00116695 -0.02061985 +H 9.33728169 8.41568854 6.29883610 -0.02222920 0.00948707 0.00677878 -0.27748090 0.01209853 0.04217004 -0.02977388 0.02845007 0.00155616 +H 8.52866001 7.39225766 7.56033623 -0.01984191 -0.01543514 0.00979136 -0.07494803 -0.09706732 -0.09402005 -0.00092094 -0.01547883 -0.01633554 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94962408 5.92604929 5.97254150 -0.00496038 0.00107803 0.00379536 -0.03961413 0.01306259 0.01038115 -0.00560359 0.00208396 0.00027100 +C 2.30802899 5.98815900 5.92938842 -0.00665474 0.00132856 0.00718068 -0.02336346 0.01522446 0.05206401 0.00008157 0.00327503 0.00526498 +H 0.56178859 6.44332490 5.30898355 -0.01748748 0.00292246 -0.01585583 -0.06496224 -0.06828856 -0.01350839 -0.00563084 -0.01429564 0.00004543 +C 2.97947278 5.59593584 7.12165937 -0.00189165 -0.00153656 -0.00549213 0.01281773 0.00262836 -0.02259189 0.00732001 0.00318902 -0.00220171 +H 2.66168851 6.69784978 3.86054422 0.02001653 -0.01136198 0.00501383 0.00619399 0.00175256 0.04670625 -0.01931845 0.00645651 0.00572028 +C 4.39194677 5.86069163 7.24491789 0.00425798 0.00131142 -0.00827594 0.00718323 -0.00294690 -0.03653777 -0.00283224 -0.00219371 -0.00446285 +H 2.39222956 5.21766979 8.00492524 0.00014165 -0.00270874 0.00613554 0.07742140 0.01909613 -0.08073332 0.00049958 -0.00754560 0.00463586 +C 5.12528503 6.34131777 6.14349109 0.00402075 0.00435227 0.00397295 0.02883774 0.04220869 -0.00344168 0.00125938 0.00780852 -0.00681995 +H 4.89942786 5.76645484 8.22959184 0.01170712 -0.01653559 0.00010286 -0.00821136 -0.15669470 -0.13239899 0.00110866 -0.02851883 -0.00727242 +C 4.43794265 6.58271789 4.94924869 -0.00806546 0.00241081 -0.00639415 -0.00293032 0.02794734 -0.03706976 0.00911865 0.00448887 -0.00253645 +N 6.51696895 6.61543882 6.27852462 -0.00200400 0.00327669 0.00110375 -0.01441014 0.02316527 0.00402043 -0.00170796 0.00314012 -0.00073586 +C 3.06340566 6.53188061 4.85537177 0.01054014 -0.00803955 0.00235677 0.01808648 -0.08352166 0.01883380 -0.00687842 -0.01448514 0.00290607 +H 4.93434864 6.94073751 4.07620240 -0.00389343 -0.01122676 -0.02081406 -0.00140399 -0.07652753 -0.08486473 -0.00016424 -0.00684231 0.00149688 +C 7.40877253 7.36679332 5.58714995 0.00208888 -0.00120103 -0.00899812 -0.00097235 -0.02425190 -0.02128465 -0.00094503 -0.00574124 0.00565044 +H 6.96370145 6.28503604 7.14015815 -0.01075615 -0.01214933 -0.00550685 -0.09939166 -0.09621108 -0.03028176 -0.00702552 -0.01439406 0.00526115 +O 7.16256504 7.98398965 4.52303449 0.00264921 -0.00024054 0.00401905 0.02642208 -0.00362272 0.03039538 0.00447804 -0.00024672 0.00337513 +C 8.72400988 7.44571250 6.40390453 -0.00233983 -0.00109002 0.00373091 0.00274538 0.00240714 0.02444987 0.00191524 0.00348193 0.00156906 +H 9.48358802 6.67619603 6.18714262 0.01884849 0.00857259 -0.01665050 -0.02568989 0.08002382 -0.12530350 -0.01467059 0.00195423 -0.01324165 +H 9.20414075 8.38963576 6.23802670 0.01417231 -0.00509751 0.01297140 0.04573629 0.00445991 0.01018866 -0.00897302 -0.00188160 -0.00809068 +H 8.61831333 7.41522720 7.47610302 0.00847258 0.01812131 0.03725863 -0.02534780 0.06260070 0.01190074 -0.01193562 -0.00562201 -0.02868921 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.08224008 5.62691758 5.78936196 -0.00500089 0.00066450 0.00322514 -0.03629448 0.00927643 0.00674898 -0.00556597 0.00187734 -0.00091420 +C 2.38762881 5.98565790 5.93753702 0.00088428 -0.00615219 -0.00297198 -0.03054116 -0.03091458 -0.02092128 -0.00802437 -0.00333403 -0.00042038 +H 0.80040122 5.74182599 4.91987107 -0.01986835 0.01145748 -0.00923976 -0.12034294 0.06210503 0.05446891 -0.01505318 0.00829258 0.01795622 +C 2.90767992 5.67115262 7.16066233 -0.00465208 -0.00163183 -0.00106418 0.02093087 -0.02224237 0.00426282 0.01275951 -0.00111445 -0.00241190 +H 2.42722979 6.92257338 4.05021291 -0.00464575 -0.00106484 0.03311333 0.06069422 0.11710701 0.05031344 0.02103340 0.02854771 -0.01533337 +C 4.28840875 5.89851635 7.35650812 0.00517290 0.00396827 -0.00263705 0.04082565 0.04947574 -0.04180156 0.00391258 0.00756664 -0.00744245 +H 2.29497740 5.06522105 7.92872042 0.00334277 0.01216572 0.00314020 0.03944136 0.17265201 0.00959327 -0.01625536 0.00774717 0.03336119 +C 5.07663427 6.51441486 6.28009758 0.00270027 -0.00331129 -0.00289449 0.01355737 -0.02507516 -0.04103151 0.00183720 -0.00344031 -0.00740592 +H 4.80352444 5.73393094 8.29867662 0.00030015 0.00266062 -0.00678499 -0.02858315 -0.06261061 -0.02884833 -0.00284423 -0.01193759 -0.00460507 +C 4.43981668 6.85498977 5.02206628 0.00398869 -0.00201319 -0.00114798 0.01315688 -0.01052740 0.02274120 0.00156872 0.00045623 0.00263776 +N 6.47708732 6.67938605 6.36983293 -0.00133964 0.00373501 -0.00250521 -0.02414945 0.01119200 0.00162241 -0.00398141 0.00084844 0.00057837 +C 3.05026219 6.72164253 4.92471114 0.00417694 0.00264581 0.00486167 0.01572155 -0.01861321 0.04696011 -0.00009598 -0.00670897 0.00670009 +H 4.89775284 7.28796259 4.21254293 -0.00195751 -0.01225227 0.00116452 0.09196251 -0.03857678 -0.07031657 -0.00046097 -0.01548613 0.01960303 +C 7.36940455 7.33858425 5.62829702 -0.00553489 0.00147731 -0.00218639 -0.00819133 0.01248616 -0.02716445 0.00272180 0.00034579 -0.00182636 +H 6.84537129 6.11589666 7.13230284 0.00693780 -0.01224009 -0.00806611 0.06972546 0.03737622 -0.06564785 0.01260821 0.01195601 0.00439390 +O 7.14676461 7.86914151 4.49418384 0.00452917 -0.00010061 -0.00022699 0.03349454 -0.00468867 0.01880814 0.00464745 -0.00040817 0.00373873 +C 8.82434482 7.30077583 6.19188832 -0.00071931 0.00040268 0.00818271 -0.03757561 -0.00553861 0.02661820 -0.00810819 -0.00004207 0.00206859 +H 9.21680186 6.31537449 6.03828449 -0.00548978 -0.00545783 -0.02546411 -0.00935353 0.00948238 -0.12209970 -0.00250221 0.01636526 0.00218668 +H 9.39962320 8.03244989 5.66843424 -0.01564546 -0.00995309 -0.00766664 -0.01207269 -0.00447815 -0.04506658 -0.00104109 -0.00371239 0.00954530 +H 8.86244741 7.47689518 7.19228156 -0.00856578 0.00881735 0.00533286 -0.04371639 0.08570076 0.15089369 -0.00388259 -0.00215575 -0.02345226 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99250632 5.63253610 5.92960033 -0.00150641 -0.00427962 -0.00162430 0.00093182 -0.03415742 -0.00808282 0.00258787 -0.00240762 -0.00092486 +C 2.28491782 6.10828965 5.85325268 0.00180187 -0.00125743 0.00376508 0.00585270 -0.00099745 0.03755770 -0.00141242 0.00308250 0.00721988 +H 0.89984791 4.69679987 6.14826782 0.01920850 -0.03002081 -0.00853381 0.14658265 -0.01284480 -0.13548574 0.01647406 -0.02012051 -0.02207016 +C 2.62920497 7.37893930 6.34102682 0.00750653 0.00354077 0.00049378 0.02156214 0.04558969 -0.00154642 -0.00085106 0.00508644 -0.00215501 +H 3.13632912 4.34496663 4.92593395 -0.00052783 -0.02575372 0.02787286 -0.01200941 -0.03845100 0.23409226 -0.00565131 0.01060071 0.02914557 +C 3.98635487 7.88305388 6.37209304 0.00265890 0.00302170 0.00044847 -0.01621075 0.01433658 0.02239746 -0.00442462 0.00124680 0.00480104 +H 1.77640991 8.01880321 6.63952132 -0.03188542 0.00728905 -0.01191535 0.05839173 -0.03319309 -0.05731391 0.01548845 0.01154031 0.00761508 +C 5.00341954 7.01285519 6.02078597 -0.00299565 0.00679998 -0.00165627 -0.00492211 0.01416627 -0.03856205 0.00077322 -0.00314234 -0.00883856 +H 4.17036978 8.84676758 6.83846779 0.00631349 0.00147344 -0.00294961 0.04489789 0.03299546 -0.06745704 0.00349040 0.00974477 -0.01115180 +C 4.61574375 5.77131852 5.40480510 -0.00451286 -0.00031041 -0.00804136 0.00703184 0.01679284 -0.03581933 0.00343460 0.00396668 -0.00244557 +N 6.33766261 7.45998630 6.17503829 0.00037411 -0.00971365 0.00075316 -0.01243417 -0.06243913 0.00342795 -0.00330337 -0.00449509 0.00075313 +C 3.32681092 5.29857814 5.37707835 -0.00322229 0.00788278 0.00419965 -0.03598031 0.02632911 0.01624535 -0.00400280 -0.00047762 0.00112881 +H 5.40985703 5.12605398 5.03332683 -0.02457783 -0.01594720 -0.00597705 -0.12837487 -0.11162299 -0.05583363 -0.00088514 -0.00921704 -0.00689573 +C 7.48875064 6.80906891 5.89873639 0.00268511 0.00246181 -0.00058946 -0.00103085 0.04263314 0.00545365 -0.00229157 0.00237399 0.00054534 +H 6.39768576 8.36446893 6.55250355 0.00788304 -0.00066251 -0.00880401 0.08364331 -0.01852028 -0.08283814 0.00643651 -0.02009629 -0.01699164 +O 7.62951763 5.70350125 5.59760156 0.00398677 -0.00063836 -0.00081129 0.02179226 -0.04185936 -0.01482429 0.00205604 -0.00798310 -0.00265464 +C 8.70777653 7.63589187 5.93580033 -0.00742910 -0.00028239 0.00332673 -0.01840252 0.02027043 0.03501758 0.00152508 0.00596682 0.00552742 +H 9.01890815 7.88292979 6.98632320 0.01102742 0.01953408 0.00581683 0.02876758 0.04040665 -0.07291755 0.00256391 0.00134537 0.00835628 +H 9.47258858 7.02234354 5.37824998 -0.00804758 0.01768955 0.00442263 0.03209031 0.14891567 0.08808202 0.02769818 0.00502544 0.00920136 +H 8.57046517 8.61270095 5.38195675 0.01783285 -0.02100304 0.00506402 0.05976205 -0.06784437 -0.01987296 -0.00703721 0.02284938 -0.01977302 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97400423 5.80125754 6.05515112 -0.00307446 0.00332174 -0.00198959 -0.00110250 0.02093641 -0.02284835 0.00145442 0.00355424 -0.00529859 +C 2.35019978 5.89585803 5.88929648 -0.00313862 -0.00197195 0.00516520 -0.02079302 -0.02466161 0.04397483 -0.00135014 -0.00312887 0.00640020 +H 0.64337687 6.53189439 5.61319380 0.03206245 -0.00565918 -0.03811736 0.05734863 -0.06626779 -0.20872819 -0.00831183 -0.03341941 -0.00576705 +C 3.23879601 4.90011705 6.37381329 0.00161932 -0.00076238 0.00110358 -0.01732436 0.00559857 0.02319194 -0.00531621 -0.00046126 0.00635945 +H 2.13046536 7.73028121 4.89802804 -0.01007554 -0.04207444 0.02404159 -0.07042570 -0.03939254 0.07359827 0.00474960 0.02381918 -0.00144594 +C 4.59303842 5.15018019 6.43559102 0.00374560 -0.00644407 -0.00273244 0.03799397 -0.03018858 -0.03282221 0.00534696 -0.00026660 -0.00618005 +H 2.85463641 4.07189532 6.90267752 -0.01008148 0.00712654 0.00247039 -0.06997642 -0.05690258 -0.04072834 0.00064750 -0.00563191 -0.02043825 +C 5.11916532 6.37450207 5.93774580 0.00283190 0.00765038 0.00579871 0.00479125 0.04299362 0.03801406 -0.00195554 0.00178577 0.00517902 +H 5.18884074 4.33678526 6.81569238 0.00980055 -0.01404776 0.00046522 0.07734273 0.02441823 0.00905875 0.01082740 0.01633924 -0.00042548 +C 4.22916710 7.37319003 5.37019288 0.00485542 0.00329137 -0.00145059 0.03516704 -0.00426809 -0.00130262 0.00407420 -0.00383282 0.00069700 +N 6.49835475 6.50785631 6.09963191 -0.00433503 0.00298340 0.00114899 -0.02404823 0.02261186 0.00632698 -0.00201526 0.00289227 0.00076662 +C 2.86047240 7.06215319 5.33173476 0.00034193 -0.00489476 0.00255939 0.00622104 -0.03269242 0.02047182 0.00094948 -0.00342557 0.00318301 +H 4.50422104 8.33957273 4.97329752 0.01663462 -0.00558991 -0.00695685 0.17807471 -0.05454317 -0.03125310 0.02171415 -0.01265031 0.00045656 +C 7.38518642 7.47330269 5.82138599 -0.00333584 -0.00403503 -0.01299186 -0.04100165 -0.01436302 -0.08876966 -0.00552339 -0.00003111 -0.01019485 +H 6.93290137 5.75454462 6.57140779 -0.00006628 0.00745031 0.00881735 -0.03030765 0.02286681 0.05170172 -0.01259029 0.00929321 -0.00092263 +O 7.09976814 8.53637610 5.25859736 0.00413328 0.00786499 0.00040800 0.03055520 0.04616580 0.00273920 0.00413713 0.00506519 -0.00002864 +C 8.75609790 7.18848745 6.31711024 -0.00615731 -0.00601051 0.00311736 -0.03399042 -0.04739426 0.02149696 -0.00287229 -0.00354809 -0.00025450 +H 9.46165940 7.20466793 5.52576988 0.00392093 0.00756159 0.01180228 0.04052618 0.08839939 0.03809429 -0.00851452 0.01329036 0.01562803 +H 8.98255968 7.96752134 7.03685445 -0.01406911 0.00877749 0.00856897 -0.06237879 -0.08710394 0.06603747 -0.00611578 -0.03184040 0.01060062 +H 8.76276765 6.12505228 6.71324119 0.00622215 -0.02554523 -0.00873903 0.09128325 0.04012468 -0.01554409 0.01605036 -0.00238413 0.01438110 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97415569 5.68513582 5.91718874 -0.00314273 -0.00048673 0.00551779 -0.02236231 -0.00163637 0.02586073 -0.00240001 0.00024169 0.00105187 +C 2.30026606 5.96452633 5.91236441 0.00375376 -0.00813736 -0.00232876 0.02809570 -0.03282026 -0.02370260 0.00180762 -0.00154014 -0.00348619 +H 0.53803066 5.84033719 5.12910207 -0.01996955 -0.01218396 0.00160862 -0.07853182 -0.05286212 0.03760030 0.00447884 -0.00436061 0.01851985 +C 3.03589923 5.38840371 6.94591199 -0.00461541 0.00100317 0.00122467 -0.01871129 0.00168467 0.01262910 0.00029192 -0.00115223 0.00283303 +H 2.52032753 7.44326289 4.21010339 0.00819043 -0.03155320 0.00693352 -0.11017819 -0.21228797 -0.06269416 -0.02158143 -0.02730263 -0.00962531 +C 4.38677523 5.72968273 7.13289706 -0.00410798 0.00132061 -0.00276209 -0.04485653 0.00131359 -0.02047595 -0.00479394 0.00026755 -0.00251560 +H 2.50661630 4.68657940 7.58760553 0.03042400 -0.01150450 0.01226713 0.17634598 -0.02465780 0.09656994 0.00591590 0.00505561 0.01220183 +C 5.05614200 6.57158385 6.23982020 -0.00730215 -0.00540743 -0.00537938 -0.02135255 -0.00889145 -0.05684628 0.00220391 0.00206069 -0.00758109 +H 4.78990951 5.19771872 7.97652261 -0.00404947 0.02298984 -0.01583323 0.14999994 0.15050498 -0.00060966 0.02550297 0.02054914 0.00046702 +C 4.35522544 7.13490876 5.10383417 0.00307387 0.01009847 0.00125992 0.01330544 0.03666604 0.02530789 -0.00006028 0.00088674 0.00341458 +N 6.40399035 6.87373212 6.48829310 -0.00571667 0.00562812 0.00013898 -0.02178365 0.03441055 -0.00225142 0.00019865 0.00411791 -0.00126946 +C 2.97094512 6.86553205 5.00486595 0.00538422 0.00192642 0.00109020 0.02929473 -0.00139309 0.01672373 0.00081701 -0.00251903 0.00173482 +H 4.84001897 7.69342119 4.31408033 0.00345965 -0.02055514 -0.01755346 0.03748337 -0.03311407 -0.01132067 0.00477114 0.01204280 0.01772007 +C 7.43472978 7.22607220 5.67287450 0.00951775 -0.00678756 0.00506226 0.03112934 -0.03039998 -0.01645037 -0.00195907 -0.00165071 -0.00838075 +H 6.68446682 6.77831924 7.44945666 -0.00591100 0.02847342 -0.00590489 -0.05809489 0.16573909 0.02791976 -0.01383995 0.01695690 0.00449617 +O 7.33346716 7.35709432 4.43450376 0.00180627 0.00583033 -0.00360846 0.01062049 0.03127839 -0.00130783 0.00146944 0.00285215 0.00295965 +C 8.79613353 7.60051267 6.23234603 -0.00004853 -0.00448193 -0.00154103 0.02306096 -0.03517750 0.01575517 0.00620863 -0.00715906 0.00489406 +H 9.07912093 6.98659599 7.06869439 0.00324579 -0.01488560 0.01864506 -0.02578619 -0.03038004 0.02435812 -0.00790731 0.00340279 -0.01005418 +H 9.59579748 7.55361355 5.51725804 0.02331155 0.01605658 0.00602153 0.04957255 0.01041329 0.02035690 -0.01346559 -0.01079538 0.00598108 +H 8.86044816 8.68517355 6.52249527 -0.00544106 -0.01515363 0.00178538 -0.12796498 -0.09960160 0.07014225 -0.02567431 0.00688699 0.02254190 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04480755 5.66936850 5.86530690 -0.00911113 -0.00046871 -0.00357691 -0.08194876 -0.00243791 -0.01990872 -0.01181993 0.00148124 -0.00221743 +C 2.26231520 6.11658692 5.92339570 -0.00054421 0.00668899 0.00123481 0.00470205 0.02059516 -0.00513722 -0.00001045 -0.00322731 -0.00286364 +H 1.01010244 4.71211340 6.04749516 -0.00724202 0.00949407 0.00224896 -0.08078119 0.01189487 -0.00187889 -0.01660413 -0.01804055 -0.00063481 +C 2.51567379 7.45727128 6.15728203 -0.00209253 -0.00085934 0.00246173 0.02156372 0.02049170 0.03059118 0.00650168 0.00601107 0.00497480 +H 3.09256200 4.18617293 5.48115832 -0.00079150 -0.02386816 0.01748544 0.02345401 -0.04098075 0.06094609 0.00695013 0.01166784 -0.00229542 +C 3.90084493 7.90187302 6.19589925 -0.00248372 -0.00162121 0.00715957 -0.01338114 -0.01716181 0.03965429 0.00224489 -0.00244165 0.00360961 +H 1.70094483 8.10277046 6.48385233 0.00289885 0.00936703 -0.02164317 0.02023278 0.09274007 -0.22141518 0.00325076 0.01451508 -0.03273049 +C 4.97933541 7.00449176 5.96942150 0.00736227 0.00066215 -0.00226066 0.03418183 0.01501543 -0.00673093 -0.00117880 0.00104105 0.00014186 +H 4.10840655 8.94628850 6.39285987 0.01930226 -0.00840070 -0.02505194 0.07158782 -0.01652202 -0.07726298 -0.00580039 0.00174566 0.00546068 +C 4.60367477 5.71672020 5.64527131 -0.00139406 0.00021190 0.00233192 0.01224655 -0.02869796 0.00913831 0.00539091 -0.00674600 0.00058537 +N 6.35251736 7.39138082 6.18312979 0.00107082 -0.00170421 -0.00165035 -0.01094101 -0.00701062 -0.00638773 -0.00158840 -0.00096845 -0.00082159 +C 3.28267684 5.22744925 5.65119697 0.00363656 -0.00620555 -0.00124848 0.02479154 -0.03384279 -0.00002819 0.00167049 -0.00180884 0.00208159 +H 5.40654380 5.01502266 5.41588809 -0.01386522 0.00145355 0.00156326 -0.04106770 -0.07326987 0.02474057 0.01018832 -0.02326770 0.00476954 +C 7.52413776 6.80575812 5.87287475 0.00838708 0.00283314 -0.00382441 0.04052978 0.04062261 -0.01798206 0.00057074 0.00592449 -0.00259203 +H 6.41873368 8.25532490 6.72709635 -0.01732603 -0.00636614 0.02647743 -0.03865533 -0.10322436 0.06539033 0.00780190 -0.00163120 0.00486528 +O 7.73090130 5.79198336 5.27189021 0.00033490 -0.00085099 0.00116176 -0.00679566 -0.02404471 0.00046922 -0.00195559 -0.00455008 -0.00036658 +C 8.74681451 7.61180172 6.19614570 0.00075812 0.00454377 -0.00220687 0.01133415 0.02565656 -0.03155943 0.00080774 0.00484684 0.00129706 +H 8.67372886 8.29606112 6.97617979 0.00646700 -0.02909354 -0.00013077 -0.03432612 -0.03225339 0.14140820 -0.01309133 -0.00627558 -0.00281600 +H 9.58041582 6.87872921 6.38308228 -0.01253662 0.01225055 0.01638174 -0.01207527 0.10690069 0.06070197 0.02520604 0.00158325 -0.00171839 +H 8.90051361 8.15861091 5.18297115 -0.01489543 0.00527236 0.00047155 0.03205956 0.06391849 0.13083747 0.03219818 0.03897736 -0.00867586 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.10017714 5.67709723 5.95243790 0.00208502 0.00041707 0.00026315 0.00223542 0.00909287 -0.01427275 -0.00179828 0.00114082 -0.00371383 +C 2.35680869 6.13709343 5.80982512 0.00051765 -0.00402306 -0.00563535 0.00128425 -0.01707519 -0.03855284 0.00017486 -0.00078253 -0.00495084 +H 1.06165682 4.94288463 6.57285717 0.00085422 0.01020404 -0.02259224 -0.02529314 -0.03897355 -0.04819771 -0.00550589 -0.00611841 -0.00232656 +C 2.81141098 6.84407083 4.68852623 -0.00435390 0.00134322 0.00054040 -0.00779623 0.00899710 -0.02742574 -0.00230880 -0.00042509 -0.00632602 +H 2.77591323 5.32220502 7.66978074 -0.00110866 -0.00404300 -0.01953464 0.10256922 0.01323926 0.02490251 0.02063938 0.00297400 0.02675044 +C 4.21850279 7.18869891 4.48159872 -0.00907239 0.00096847 0.00312539 -0.10502015 -0.01012477 0.03330536 -0.01212974 -0.00246702 0.00538429 +H 2.19732272 7.03015812 3.79534944 0.00796986 -0.01078593 0.00498992 -0.08963425 -0.04461036 0.04823523 -0.03202098 0.00275911 -0.00251794 +C 5.06207963 6.87937100 5.50626659 0.00132781 -0.00496340 0.00722099 -0.00258826 -0.03008513 0.05969123 -0.00350480 -0.00143134 0.00508725 +H 4.44342355 7.61654519 3.54355296 -0.00706541 -0.01853783 0.00449808 0.05498512 -0.04159291 0.00476660 0.00449325 -0.00364867 0.02146856 +C 4.52622453 6.26642712 6.70485056 -0.00478835 0.00842206 0.00130975 -0.00797696 0.05858734 0.02666162 0.00215214 0.00569805 0.00940573 +N 6.36506589 7.27985574 5.41396263 0.00015646 -0.00509275 -0.00284717 0.02488500 -0.03815643 -0.01203805 0.00556817 -0.00423912 -0.00097527 +C 3.21025882 5.89975888 6.84517777 0.00119080 0.00061543 -0.00241875 -0.00569992 -0.00893413 -0.02374547 -0.00146860 -0.00220567 -0.00438062 +H 5.09041445 6.11985651 7.57141038 -0.01063822 -0.01405421 0.01373199 -0.01966102 -0.07826395 0.04297167 -0.00141750 0.00153208 -0.01631180 +C 7.40201835 6.83619650 6.17224685 0.00317815 0.00289411 0.00205496 0.02008885 0.03843412 0.00767543 0.00246366 0.00678036 0.00001422 +H 6.60038662 7.92691414 4.70117456 -0.01399075 0.02214702 0.01613285 -0.09151017 0.12820204 0.10543906 -0.01051328 -0.00088437 0.02160688 +O 7.28496027 5.96325171 7.04101638 0.00205496 0.00445468 -0.00235927 0.02731049 0.02883700 -0.01958452 0.00560280 0.00358678 -0.00281270 +C 8.71257880 7.67672437 6.07765253 0.00783941 -0.00472338 -0.00168392 0.02730205 -0.03770390 -0.00533768 0.00284874 -0.00469299 0.00116647 +H 8.64267533 8.49924165 5.38474960 0.00244222 0.01120611 0.01754257 -0.00014830 0.07207021 0.10554893 0.00158739 -0.00343889 0.01408028 +H 8.75691206 8.03739648 7.07392974 -0.00338203 -0.00702367 0.00684111 0.12968104 -0.01869763 0.02741173 0.03407135 -0.00946456 -0.01718582 +H 9.56308981 7.11990547 5.79018264 0.00661341 -0.00202527 -0.00255736 0.08235293 -0.08814992 0.00904085 -0.00881620 -0.00548583 0.00722677 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.91076211 5.78777432 5.93700974 0.00492402 -0.00110608 -0.00045582 0.03486636 -0.00899401 -0.00697795 0.00527625 -0.00067943 -0.00347306 +C 2.23714018 5.99066312 5.93417175 0.00564638 -0.00036101 -0.00795773 0.07898227 -0.01754649 0.00139955 0.01125007 -0.00522966 0.00707966 +H 0.50467121 5.97370510 5.10869324 0.01846792 -0.00117671 0.01992076 0.02577208 0.04009823 -0.03207673 0.00508455 0.00370765 0.00471060 +C 2.97200874 5.55484407 7.09479587 -0.00566184 0.00123987 0.00232016 -0.01418945 0.01512930 -0.00355673 0.00136555 0.00356605 -0.00261436 +H 2.58428541 6.65628293 3.98953056 -0.01730207 -0.00275714 0.00603568 -0.10027071 0.11721326 -0.03142495 0.00066768 0.02552370 0.00812830 +C 4.41830679 5.76714069 7.17514420 -0.00430057 -0.00595740 0.00454278 -0.06814299 -0.02043145 0.02164871 -0.01005236 0.00035590 0.00276673 +H 2.45284190 4.96521420 7.87592915 -0.01660252 0.02789371 0.00428745 -0.09351069 0.22322977 0.03487263 -0.01307861 0.02337761 0.01224391 +C 5.07643882 6.53943318 6.20648646 -0.00009320 0.00378642 0.00224231 0.02925730 -0.00185887 0.03196567 0.00336079 -0.00500533 0.00568550 +H 4.96550751 5.43802577 8.03614647 -0.02160485 0.00065324 -0.01397008 -0.08288690 -0.07769076 0.07036538 -0.01529295 -0.01181763 0.01355114 +C 4.44121705 6.82926062 5.03750673 0.00618734 0.00500494 0.00309480 -0.01063227 0.03895295 0.00575912 -0.00863834 0.00593887 -0.00222929 +N 6.46990669 6.75703498 6.36064206 -0.00112172 0.00089463 0.00219878 -0.02938120 0.00980700 0.01888144 -0.00370838 0.00249779 0.00292300 +C 3.06161997 6.56182118 4.91792922 -0.00554805 -0.00507688 -0.00146898 -0.03912574 -0.03452344 -0.03011869 -0.00276690 -0.00251302 -0.00904005 +H 4.95075861 7.29568270 4.23300334 -0.00891260 0.00601817 0.00954295 0.00612905 0.07226069 -0.03136695 -0.00219150 0.00473904 0.00194931 +C 7.38047316 7.36698635 5.63377401 0.00069763 -0.00176970 0.00234135 0.02820195 -0.00791124 -0.01349679 0.00504315 -0.00120318 -0.00492541 +H 6.87016310 6.45216752 7.25351827 -0.00244466 0.00938649 -0.01382373 -0.02702694 -0.00513114 0.01296269 -0.00598531 -0.01035245 0.01723244 +O 7.35499318 7.86391127 4.49349067 -0.00182569 0.00281035 -0.00146844 -0.03112915 0.01185146 0.00378090 -0.00658239 0.00062385 0.00236439 +C 8.71588129 7.35463399 6.29294058 0.00204416 -0.00504354 -0.00335225 0.04114064 -0.00849314 -0.02344187 0.00845743 -0.00009522 -0.00565240 +H 8.99756850 6.39790121 6.76684116 0.01244794 -0.01486764 -0.01971339 0.02043311 -0.00421571 -0.06448687 -0.00380730 0.00489497 0.00778184 +H 9.45572629 7.52108313 5.50897513 0.01916372 0.00094969 -0.01000856 0.04957887 -0.01278896 0.01992958 0.00095983 -0.00156245 0.00666065 +H 8.77229158 8.26736519 6.95434280 -0.00455192 0.03185670 -0.00328396 0.00867373 -0.09750947 -0.07314316 0.01034883 -0.02246298 0.01112352 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03387339 5.52635964 5.78047123 -0.00419856 0.00234750 0.00034495 -0.03157796 0.04114241 -0.01235483 -0.00245195 0.00757616 -0.00208274 +C 2.31436412 5.96285540 5.86110346 -0.00037343 -0.00200266 -0.00059668 0.01421168 -0.01622874 0.00706980 0.00298938 -0.00256536 0.00189900 +H 0.53956171 6.17450375 5.26128316 0.01777966 0.02745562 -0.02415426 0.11482884 0.01029197 -0.08077369 -0.00894773 0.00696886 -0.02658254 +C 3.10883641 5.34999768 6.86775311 -0.00121287 0.00498494 -0.00069654 -0.02132055 0.01124671 -0.00811604 -0.00431069 -0.00411004 0.00050347 +H 2.48643575 7.59900200 4.25673260 0.01257212 0.01014731 0.01002098 -0.03434587 -0.11609988 0.08316417 -0.02514652 -0.03143823 -0.00040411 +C 4.48542222 5.56035512 6.97488073 -0.00040772 -0.00929904 0.00597391 -0.01611869 -0.06553685 0.04253708 -0.00462232 -0.00768985 0.00499734 +H 2.65498899 4.60428058 7.46337977 -0.00207456 -0.00940258 -0.00516353 -0.02014403 -0.02448248 -0.01564297 -0.00195000 0.01282281 -0.00512118 +C 5.11592883 6.50909606 6.16920127 -0.00001621 -0.00521995 0.00792618 -0.00485841 -0.04439770 0.03829381 -0.00139918 -0.00543219 0.00088779 +H 5.00417857 4.86754067 7.64072583 -0.02479903 -0.01970596 0.01293100 -0.07831046 -0.02824602 0.10073095 0.00748524 0.00528494 0.01808559 +C 4.32077098 7.14161989 5.19371948 0.00199532 0.00787028 -0.00340119 0.02837494 0.06021878 -0.01549526 0.00674888 0.00556818 0.00233614 +N 6.50190124 6.51109408 6.25304158 0.00123578 -0.00172468 0.00039612 0.00764052 -0.01082714 0.00113782 0.00135438 -0.00176767 0.00024888 +C 2.92840587 6.93742562 5.01528368 0.00679355 -0.01049142 0.00144133 0.05374077 -0.06189745 0.01715135 0.00811071 -0.00650063 0.00326800 +H 4.77027497 7.87062910 4.52935590 0.00962448 0.01236090 -0.00793957 0.04585593 0.03402380 -0.01324349 0.00426401 0.00384024 -0.00000140 +C 7.36870006 7.39812608 5.75955918 0.00311010 0.00264362 0.00057653 0.00887878 0.02254787 0.00741676 -0.00282975 0.00425127 0.00123519 +H 6.87710809 5.75491327 6.76484753 0.00502256 -0.01984297 -0.01075967 0.05159155 -0.07176593 -0.11208274 0.00486243 0.00733766 -0.02320472 +O 7.03434697 8.49002384 5.30208501 0.00332097 0.00534250 -0.00621459 0.02835451 0.02927911 -0.04308475 0.00477834 0.00237294 -0.00560311 +C 8.85042313 7.00894912 5.88583281 -0.00636571 0.00027198 0.00172141 -0.05688622 0.01817475 -0.00554676 -0.00801389 0.00294091 -0.00015897 +H 9.38608817 7.94244231 6.09873394 -0.03102079 -0.00451038 -0.01656383 -0.08070410 0.04040752 0.00542638 0.00730078 0.01064028 0.02304770 +H 8.99491254 6.33236369 6.66004584 -0.01384492 -0.00856564 -0.01998906 -0.00958702 -0.14966740 -0.02771339 0.00494482 0.00057638 -0.02308721 +H 9.25423103 6.60088031 4.92816193 -0.01848218 0.04793278 -0.00497138 -0.11595623 0.24233267 -0.06844264 -0.00891644 0.01192894 -0.02255393 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03917226 5.78640020 5.67006180 0.00325573 -0.00797551 -0.00463625 0.02087383 -0.04330257 -0.02801061 0.00185483 -0.00522368 -0.00367591 +C 2.34234141 6.12941289 5.85200310 0.00071190 -0.00288360 0.00549738 -0.01212732 0.01631577 0.04363327 -0.00330104 0.00417200 0.00523596 +H 0.95162157 4.96123210 5.19394497 -0.00394590 0.01107000 0.00954905 -0.03399605 -0.08003637 0.00161070 0.00219490 -0.01242476 0.00234207 +C 2.68877213 7.49000977 6.14194127 -0.00112442 0.00626552 0.00040540 -0.01524007 0.01035370 -0.00154069 0.00089890 -0.00390804 0.00030002 +H 3.12024846 4.16364935 5.46905572 0.03719618 -0.02908789 0.03020790 0.11846601 -0.08153971 0.20494074 -0.01381411 -0.00086366 0.01603836 +C 3.99839826 7.79016825 6.37896659 0.00533375 0.00528554 0.00533659 0.04805791 0.05450501 0.02879132 0.00291747 0.00897407 0.00199600 +H 1.95855139 8.35728020 6.12047076 0.00446437 -0.01387487 -0.00038774 -0.06451371 -0.10968925 0.04456787 -0.03764962 0.00702332 0.01177574 +C 5.03940425 6.84559416 6.20946621 -0.00399270 0.00340741 -0.00085776 -0.02701992 0.02182539 -0.00423544 -0.00092440 0.00356756 -0.00016367 +H 4.31010537 8.81026660 6.53444570 0.00133843 0.01968203 0.00090600 -0.04969485 0.06528593 0.05256497 -0.00633776 0.00281801 0.01476134 +C 4.69069956 5.51328329 5.85661838 0.00234948 0.00052057 -0.00114495 -0.01132789 0.01535207 -0.00654970 -0.00424546 0.00079992 -0.00221064 +N 6.31078802 7.33797719 6.34316097 -0.00008281 0.00404584 -0.00135280 0.00012871 0.03517820 -0.00768417 -0.00062099 0.00450009 -0.00096151 +C 3.34164120 5.18489875 5.77302636 -0.00760166 -0.00079600 -0.00649417 -0.01870617 -0.03578594 -0.05057242 0.00370068 -0.00626149 -0.00547775 +H 5.33758231 4.73588688 5.61950341 -0.02081970 -0.00300847 -0.01500045 0.06724423 -0.02519046 -0.03039185 0.01123703 0.02714617 0.01810931 +C 7.42762807 6.88180027 5.79033501 -0.00006134 0.00857008 0.00444642 -0.00042669 0.04745055 0.01991052 -0.00000255 0.00015087 -0.00225185 +H 6.37572251 8.30443014 6.73869282 0.01454080 -0.01136351 0.00302320 0.08719809 -0.06059170 0.08763461 0.00640372 0.01671034 0.03041573 +O 7.45519066 5.91869930 5.08241354 -0.00664213 -0.00306271 0.00066077 -0.03799123 -0.02376634 0.00347374 -0.00409311 -0.00154411 0.00173545 +C 8.68671715 7.71438656 6.02992857 0.00420508 -0.00877864 -0.00444411 0.03774414 -0.05605458 -0.01072827 0.00634199 -0.00575516 0.00198262 +H 8.70946626 8.45972304 6.81199729 -0.00703665 0.00576724 0.00897076 -0.14423269 -0.01447801 -0.08064846 -0.02402491 -0.01117243 -0.02589605 +H 9.42357963 7.00411652 6.44907713 0.01074393 0.00920308 -0.00818463 0.11022507 0.00330696 -0.10468338 0.02058798 -0.01473487 -0.00924292 +H 9.00750759 8.10892284 5.03266995 0.02056171 -0.00752218 0.02010639 0.16783239 -0.00268456 0.09770591 0.02138437 0.00965393 -0.00712161 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99484730 5.78841468 5.77401557 -0.00034913 0.00191666 -0.00025231 0.00023334 0.00471125 -0.00151056 0.00109603 -0.00056918 -0.00022473 +C 2.32616409 6.03917545 5.95812033 0.00074153 -0.00210706 -0.00059931 -0.00310107 0.00187583 0.01146401 -0.00204420 0.00238369 0.00308581 +H 0.75266446 5.27278865 5.04600626 0.03915836 -0.02538692 -0.01501849 0.26261561 -0.07107276 0.02714961 0.02609617 0.00119473 0.01883691 +C 2.82326929 6.86241949 7.01239090 -0.00053654 0.00275937 0.00334390 -0.03753855 0.01308792 0.00440385 -0.00565667 0.00024895 -0.00383479 +H 2.90565454 4.82941875 4.30849252 0.00677539 0.01343708 -0.01180923 -0.00451436 0.09778602 -0.17883266 -0.00413960 0.02211297 -0.02043940 +C 4.10864206 7.36169810 7.05603341 -0.00168708 0.00533408 0.00482406 -0.00285368 0.01263313 0.01596345 0.00082029 -0.00198800 0.00051281 +H 2.02993111 7.25167253 7.75352625 0.02226259 -0.01698927 -0.01182928 0.07957308 -0.06335722 0.04391411 -0.02912528 0.01091132 0.04733515 +C 5.01006358 6.88193285 6.09196208 0.00465567 -0.00072335 0.00168278 0.03408486 0.03122828 0.01895340 0.00140660 0.00696678 0.00231685 +H 4.36072084 8.11512734 7.80563298 -0.00378553 -0.03015250 0.00727994 0.04673301 -0.12059492 0.13742679 0.01267088 -0.00562301 0.02170914 +C 4.54175989 6.01320052 5.07128841 0.00078104 0.00181108 -0.00023820 0.01886867 0.01132840 0.00835768 0.00165406 0.00199461 0.00444074 +N 6.32930751 7.48760762 6.14580780 -0.00249135 -0.00293049 -0.00514352 -0.02153023 -0.03979336 -0.03280557 -0.00122813 -0.00585978 -0.00271941 +C 3.20559961 5.57975181 5.00739977 -0.00673193 -0.00212860 -0.00312644 -0.00623805 -0.01382500 -0.02314512 0.00554711 -0.00101014 -0.00380657 +H 5.34096769 5.67676779 4.36297811 0.00945126 0.00792325 0.01956179 -0.07141413 -0.01276229 0.00551205 -0.00509849 -0.01622791 -0.03383925 +C 7.44887008 6.92272894 5.71718160 -0.00124159 -0.00405066 0.00175263 0.01148395 -0.00107444 0.01786900 0.00298783 0.00240783 0.00214165 +H 6.58960788 8.25696439 6.70983749 0.02910688 -0.00420509 -0.00497205 -0.05921383 -0.01247377 -0.03370282 -0.04597381 -0.00664773 -0.01103519 +O 7.51088231 5.84721970 5.16882571 0.00047920 0.00076542 0.00184753 0.01276054 -0.00753200 0.00570611 0.00332627 -0.00255382 0.00002490 +C 8.72925875 7.75944148 6.05146389 -0.00256838 0.00417255 0.00088090 -0.03409034 0.01393358 -0.00850012 -0.00748268 0.00245996 -0.00321088 +H 9.53683808 7.74365611 5.27890303 -0.00175203 0.00625372 0.00616452 -0.03169518 -0.07904742 0.06736027 0.00561763 -0.03306896 -0.00189017 +H 8.40442157 8.77902353 6.12552872 0.02665767 -0.00873601 -0.02660626 0.12584403 0.11430996 -0.15900077 0.00872857 0.01179360 -0.01200694 +H 9.09023120 7.54387595 7.08834583 -0.01682816 -0.00437432 -0.01814228 -0.02401427 -0.07947261 -0.06112722 0.01107681 -0.01387900 0.01268127 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98508990 5.85706161 5.79817870 0.00346021 0.00096997 -0.00266933 -0.00298821 0.00252380 -0.03355750 -0.00179885 0.00015987 -0.00526109 +C 2.25423822 6.07775327 5.93529784 0.00334676 0.00227288 -0.00053887 0.06741860 0.02130138 -0.00131571 0.00984038 0.00252600 0.00057617 +H 0.75992636 5.85956274 4.89612406 0.00590812 0.00769023 -0.02551471 0.02034419 0.03068972 -0.01962505 -0.00472915 0.00142099 0.00007178 +C 2.81819805 6.29131856 7.19433733 0.00498513 -0.00018445 -0.00167274 0.03869226 -0.00578891 -0.00168401 0.00393172 -0.00197205 0.00361114 +H 2.71901524 5.91414641 3.89456962 0.02811453 -0.00943784 0.01930780 0.11752509 -0.10419279 -0.10913112 0.01069056 -0.01113272 -0.00472621 +C 4.17699760 6.62353588 7.35650216 0.00956749 -0.00190078 -0.00317541 0.03675931 -0.01951884 -0.00236340 -0.00020167 -0.00347387 0.00243952 +H 2.25571855 6.16224424 8.05974807 -0.00380526 -0.02211720 -0.01557454 -0.09823079 -0.04838505 -0.02310691 0.00218959 0.01491705 -0.01525057 +C 5.06113637 6.56950131 6.28143208 -0.00502573 0.00757940 0.00378666 -0.00156083 0.06574869 0.00328258 0.00380672 0.01010351 -0.00311297 +H 4.53977564 6.87045990 8.38359034 -0.01490380 -0.00261444 -0.01603305 -0.02093286 -0.01347113 -0.02683027 0.01767690 0.00197445 0.02567029 +C 4.55018157 6.24965344 4.99518669 -0.00691463 -0.00010372 0.00629346 -0.05048082 0.00929499 0.06188527 -0.00406208 0.00335457 0.00685973 +N 6.39615278 7.02664682 6.51924824 -0.00301044 0.00281327 -0.00556691 -0.01827806 0.01965430 -0.04488553 -0.00130967 0.00353974 -0.00525235 +C 3.14990050 6.09546412 4.83190835 -0.00283968 -0.00703343 0.00274031 -0.01255050 -0.05369414 0.02404418 0.00038418 -0.00868445 -0.00083576 +H 5.21287915 6.16328638 4.20210015 -0.00185383 0.02565358 0.02463247 -0.05864484 0.13769986 -0.04460315 -0.03754090 0.00967206 -0.00430649 +C 7.44525665 7.14602500 5.63836942 -0.00174337 0.00024028 0.00013974 -0.01038955 0.00199364 0.01679196 -0.00165850 -0.00022712 0.00229930 +H 6.55391637 7.36817627 7.45912953 0.00657492 -0.00829587 -0.01518866 0.07289372 -0.03605225 -0.03816940 0.00796305 -0.00337105 -0.00023486 +O 7.36962740 6.73559545 4.50918029 -0.00332023 0.00081124 0.00424924 -0.01767717 0.00274377 0.01136184 -0.00156191 0.00007479 -0.00077937 +C 8.82819059 7.75251969 6.06288849 -0.00125169 -0.00224835 -0.00208054 -0.03745261 -0.02472462 0.01277603 -0.00625832 -0.00893047 0.00366021 +H 9.40640386 6.95309386 6.43447274 0.01715449 -0.01786243 -0.02349852 0.08942343 -0.05224315 -0.17385589 -0.01248895 0.01795133 -0.02185821 +H 9.27409015 8.26610935 5.17618190 0.01336700 -0.02081659 0.00528593 0.08557104 -0.08218260 0.08809736 0.00661704 0.00901965 0.00894145 +H 8.66871843 8.45215478 6.93271049 -0.01242680 -0.00314176 0.03341521 0.01137454 -0.12438258 -0.02820369 0.01226061 -0.00633329 -0.00410857 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97130363 5.60535833 5.91228033 0.00060528 -0.00457550 -0.00178789 0.00866147 -0.02765393 -0.02750400 0.00297284 -0.00178774 -0.00465282 +C 2.24198860 6.10859283 5.88307550 0.00137847 0.00336378 -0.00136670 0.01642394 0.02419944 0.00446285 0.00230253 0.00184465 0.00188522 +H 0.75348064 5.07785332 5.17201959 0.02428989 -0.01852010 -0.02855402 0.17811019 -0.04175719 -0.01684133 0.01904761 -0.00913011 0.00423885 +C 2.62120469 7.25092835 6.63341151 0.00985914 -0.00333853 -0.00210509 0.05106381 0.00166016 -0.00770052 0.00046411 0.00459485 0.00161124 +H 3.08473895 4.55356400 4.68138612 -0.00144103 0.03049794 0.01358402 -0.08965350 -0.04225733 -0.06624275 -0.01438040 -0.01674996 -0.01326578 +C 4.00460411 7.62614987 6.76260131 0.00033409 0.00496417 -0.00539342 -0.01000113 0.04818068 -0.02400530 0.00015679 0.00852448 -0.00093387 +H 1.94944006 7.92862864 7.01336849 -0.02038349 0.00721241 0.02469636 -0.04037055 -0.15834985 0.14103840 0.02729488 -0.05562643 0.00377923 +C 5.02571519 6.91741846 6.12890053 -0.00148454 0.00362582 0.00757744 0.01895567 0.01929599 0.04760568 0.00417295 0.00052592 0.00452260 +H 4.19750388 8.51239502 7.33414458 0.01663455 0.00305958 0.01389351 0.08904947 -0.03159837 0.03808101 0.00129335 -0.00705102 -0.00266172 +C 4.67167712 5.80183828 5.35588676 -0.00354722 0.00242949 0.00534688 -0.04987991 0.00923770 0.03176136 -0.00642777 -0.00204025 0.00197547 +N 6.37967091 7.33330085 6.35894315 0.00100940 -0.00187552 0.00151300 0.00628802 -0.02371085 0.00405938 0.00110422 -0.00497042 -0.00132232 +C 3.28894140 5.44507016 5.23908897 -0.00910968 -0.00469023 0.00051468 -0.02912465 -0.02561216 0.00754594 0.00001588 -0.00363061 0.00032821 +H 5.36995663 5.23796928 4.89279143 -0.00039085 -0.01195991 -0.00840918 -0.03561680 -0.07459253 -0.03536005 -0.03658728 0.01938560 0.02122724 +C 7.53751839 6.87895760 5.75803190 0.00296901 0.00176576 -0.00283895 -0.03641157 0.01426293 -0.02726589 -0.01147209 0.00210592 -0.00387351 +H 6.45547620 8.03829851 7.11502275 0.01541956 0.01729625 -0.01489695 0.13298880 0.05826467 -0.17190361 0.01760190 0.01500292 -0.01321457 +O 7.49958115 6.06603322 4.78737989 -0.00002753 0.00414030 -0.00033893 0.01561655 0.04020038 0.01328679 0.00378553 0.00622520 0.00280906 +C 8.78399575 7.60258277 6.22584062 -0.00356689 -0.00766614 0.00005307 -0.01548798 -0.06785730 -0.01497059 -0.00178457 -0.00734262 -0.00551959 +H 9.59470025 7.15590100 5.62595358 0.00695465 -0.00131647 0.01049805 0.07907386 0.00182800 0.12716036 0.02013227 -0.00590058 0.01869013 +H 8.70914299 8.63005424 5.95881691 -0.00731666 -0.01846059 -0.00547160 -0.02719166 -0.01598536 -0.01384676 0.00217393 -0.01097118 0.00174567 +H 8.96434745 7.39481400 7.33375517 -0.01921922 0.01974912 -0.01391208 -0.11016235 0.15635397 -0.04057153 -0.00938380 0.01507582 0.02715016 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.07546955 5.54855915 5.82814907 0.01010642 0.00407535 0.00446777 0.06281814 0.02902671 0.03713494 0.00623196 0.00389526 0.00625614 +C 2.36830914 5.95912638 5.73875530 0.00376829 0.01396067 0.00016688 0.00145888 0.08478587 0.00632203 -0.00262388 0.00887599 -0.00121419 +H 0.80029952 5.71306572 6.68697615 -0.00385748 -0.02071150 0.01746710 -0.03230219 -0.16754489 0.02408544 0.00273986 -0.02537570 -0.01542162 +C 2.98864768 6.00656128 4.52837554 0.00028167 -0.01173312 -0.00207671 0.00324569 -0.07014181 -0.04735347 0.00102073 -0.00551646 -0.00639366 +H 2.48497229 6.28921509 7.84864404 -0.00255613 -0.02475031 0.00934807 0.09908810 -0.09213472 -0.01941236 0.01641603 -0.00231869 0.00368014 +C 4.30519848 6.42027376 4.41643054 -0.00628127 -0.00261032 0.00073648 -0.01334301 0.00989764 0.00651581 0.00099781 0.00349757 0.00056258 +H 2.49953842 5.73803676 3.56813396 -0.00353402 0.02670964 -0.01849827 -0.06866530 0.12072818 0.02115921 -0.02493444 -0.00550706 -0.00186027 +C 5.06208682 6.81005619 5.57853621 -0.00208648 0.00550631 -0.00356998 -0.04285584 0.01419143 -0.02916382 -0.00771145 -0.00122262 -0.00351871 +H 4.69747691 6.61866718 3.40614572 0.00367777 0.00110299 -0.00208291 0.03871150 -0.12459109 0.06046467 0.01409603 -0.02786769 -0.00124439 +C 4.38971395 6.77988916 6.83200719 -0.00403942 -0.00460478 -0.00750487 -0.02488026 -0.03558361 -0.02529086 -0.00372000 -0.00535570 -0.00348866 +N 6.40366534 6.99975561 5.40634147 -0.00002499 -0.00429836 -0.00116260 0.00607903 -0.02830862 -0.01818496 0.00190570 -0.00340082 -0.00410796 +C 3.02899027 6.37630651 6.90139983 -0.00104296 -0.00241264 -0.00377196 0.00224102 -0.01833294 -0.00889577 0.00298131 -0.00235648 0.00084016 +H 4.87109435 6.93273964 7.82565066 0.00267402 -0.00777902 0.01880137 -0.02305768 -0.02310875 -0.13421923 0.01081060 0.00508271 -0.01392660 +C 7.39473058 7.10565651 6.27070508 0.00017697 0.00615747 0.00273473 -0.00254950 0.05330775 0.02817876 -0.00135141 0.00811403 0.00462716 +H 6.66655042 6.95770640 4.45489989 0.00860498 -0.01268046 0.00591187 0.10214503 -0.07148395 -0.01757380 0.00974796 -0.00673138 0.00699393 +O 7.21707787 7.21213430 7.47770407 -0.00059227 -0.00044975 0.00547869 -0.00111306 -0.00562728 0.03875866 0.00022130 -0.00088484 0.00532116 +C 8.79751842 7.28927853 5.72698145 -0.00054682 -0.00113938 0.00088705 0.00427794 0.01201274 0.00675478 0.00002426 0.00320158 0.00260544 +H 9.11662266 6.89488854 4.72228574 -0.02863501 0.01032641 -0.00786578 -0.29301268 0.03019733 -0.00258948 -0.04364211 -0.00402873 -0.01169329 +H 9.04423497 8.34730384 5.72730934 0.00029970 0.01970005 0.00296316 -0.03104462 -0.00120609 0.00893631 0.00084406 -0.01223072 0.00218076 +H 9.47287598 6.92399766 6.50528453 -0.01091941 -0.02696128 -0.02002487 0.00703247 -0.24629736 -0.14285865 0.00873011 -0.03162274 -0.02412650 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.06787599 5.75036426 5.61668296 0.00379704 -0.00090497 -0.00144340 0.01501331 0.00109772 -0.00881692 -0.00036631 -0.00056665 -0.00140298 +C 2.33994904 6.14945633 5.81578556 -0.00171851 -0.00581729 -0.00505583 -0.01027998 -0.00597342 -0.01008331 -0.00025051 0.00582271 0.00290550 +H 1.07715484 4.81592223 5.42892918 0.00785049 0.01882886 0.01599895 -0.02118524 -0.03587114 0.06707658 -0.01240363 -0.00281568 0.00691192 +C 2.62085973 7.46420703 6.27936817 0.00369328 0.00813429 -0.00166558 0.02821253 0.03161612 -0.04589512 0.00244173 -0.00029177 -0.01083706 +H 3.06737551 4.13832211 5.47532989 0.00404828 -0.02493293 0.00306100 0.10018274 0.03093469 0.00954547 0.01088597 0.00853527 -0.00202547 +C 3.97315570 7.90510358 6.31876940 0.00428550 -0.00074327 0.00202713 -0.00360216 -0.00748228 0.02701253 -0.00426851 -0.00029743 0.00511692 +H 1.80663034 8.18195799 6.35771055 0.01618459 0.00986365 -0.00312897 0.07587766 0.07458150 0.04173286 0.00466238 0.00811400 0.00919450 +C 5.00317212 6.97646196 6.12515919 -0.01051709 0.00026621 0.00186199 -0.04729822 -0.01833689 0.00857135 -0.00093316 -0.00674191 0.00022852 +H 4.13620132 8.94334465 6.59987792 -0.00529482 -0.01560812 -0.00548480 0.06162902 0.00796904 -0.04483268 0.01897769 0.01211602 -0.00404806 +C 4.66770794 5.63350907 5.87731019 -0.00012921 -0.00019070 -0.00596447 -0.01124059 -0.02755394 -0.05139996 -0.00537710 -0.00451249 -0.00728172 +N 6.31261903 7.40317570 6.14735713 -0.00399297 -0.00606519 0.00510493 -0.02830659 -0.02759650 0.02740346 -0.00442780 0.00039161 0.00305505 +C 3.34186477 5.18544861 5.65684566 -0.00701862 -0.00087245 0.00910776 -0.02513736 -0.01151191 0.06807617 0.00157694 -0.00124937 0.00942135 +H 5.44296416 4.85694993 5.74787216 0.01040182 -0.00432194 -0.01586817 -0.02240055 0.04773174 -0.07268627 0.00344587 -0.00384549 -0.00985843 +C 7.44559359 6.81116136 5.78170593 0.00100355 0.00189219 0.00562084 0.00019596 0.02835219 0.05497927 -0.00018508 0.00386175 0.00895856 +H 6.48388323 8.36240438 6.31282461 0.00431824 -0.00914870 -0.01680969 -0.05880713 0.01536549 -0.03942791 -0.02324491 -0.00592051 0.00480891 +O 7.60086950 5.65390825 5.55448391 0.00042871 0.00378068 -0.00353993 0.00698614 0.00688553 -0.03346113 0.00142400 -0.00034252 -0.00548668 +C 8.62292127 7.71537112 5.87757587 0.00292163 0.00539962 -0.00390804 0.03186567 0.04459861 -0.01172341 0.01080718 0.00410710 -0.00492262 +H 9.18049757 7.71202465 5.05931884 -0.00056513 -0.02219546 0.01811563 0.19251812 -0.29027357 -0.09072845 -0.00590441 -0.03104580 0.02597837 +H 8.43877781 8.79091568 5.82102106 0.02705401 0.00360746 -0.00901295 0.04144992 0.05439662 0.02950403 -0.00910514 0.01073153 0.01149890 +H 9.13341748 7.50564988 6.80472899 0.01353951 -0.01359819 -0.00282799 0.11916557 -0.04972748 -0.08105677 0.01200952 0.00479528 -0.01833120 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.91547628 5.80170994 5.86179287 -0.00352626 0.00363768 -0.00362670 -0.01534347 0.01969624 -0.01949594 0.00007163 0.00202367 -0.00210047 +C 2.26389953 5.89711805 5.93938126 0.00243881 -0.00084728 -0.00291505 0.03041113 0.01397810 -0.02556474 0.00313049 0.00383407 -0.00360251 +H 0.60149118 6.34659504 5.12410257 -0.00353517 -0.02053176 0.00045526 -0.09629455 -0.11255445 -0.07345460 -0.01800821 -0.01267053 -0.01658607 +C 2.99698512 5.47699332 7.08492397 -0.00460094 -0.00307021 -0.00619406 0.00115283 -0.02364495 -0.03276386 0.00480849 -0.00360529 -0.00279931 +H 2.53835679 7.07855785 4.10823306 -0.00900782 -0.00792492 0.03805931 -0.19638199 0.03203806 0.00690697 -0.01390554 -0.00088252 -0.00213563 +C 4.42977273 5.73685235 7.11764986 -0.00114040 0.00119165 0.00947106 -0.03506848 0.00907977 0.08004657 -0.00740949 0.00168943 0.01246830 +H 2.53875252 5.01368410 7.93379423 -0.00250217 -0.02088783 0.02234905 0.00119513 -0.06842637 -0.08576444 -0.00313910 -0.00156454 -0.03880351 +C 5.13257401 6.52749130 6.18687048 0.00342856 -0.00268301 0.01028616 -0.00829183 -0.03917300 0.05725180 -0.00471841 -0.00708460 0.00412431 +H 4.96110470 5.40135228 8.00812750 -0.00173188 0.01773930 0.00016002 -0.00231510 0.05537875 0.07744725 -0.00337763 -0.00408554 0.02329915 +C 4.38700117 6.91908388 5.08548353 -0.00516088 -0.00901933 -0.00102640 -0.03039229 -0.04685964 -0.00547615 0.00043370 -0.00435754 0.00158684 +N 6.46143073 6.76775544 6.39678248 0.00681998 0.00138218 0.00136764 0.06748327 0.00908607 0.01893998 0.00809420 0.00083650 0.00396213 +C 2.99773824 6.63493946 4.94484034 -0.00248362 0.00383051 -0.00477802 -0.01652376 0.00708067 0.00001101 -0.00500037 0.00036013 0.00062086 +H 4.76940423 7.57586794 4.31355976 0.02085857 -0.01072056 0.02888009 0.17704939 -0.07484221 0.09457485 0.01114337 -0.01349407 -0.00522401 +C 7.42959414 7.31475147 5.62904438 0.00336356 0.00172694 0.00090525 0.00756396 0.01555846 0.00914971 -0.00046463 0.00415461 -0.00267668 +H 6.89998936 6.41208859 7.25208472 0.01830418 0.03780391 0.01358427 -0.00895259 0.23668754 0.08689140 -0.00968007 0.02210584 0.02335120 +O 7.25234235 7.75752328 4.53727952 -0.00355340 0.00650031 -0.00698814 -0.02410567 0.04581790 -0.05530506 -0.00278548 0.00552333 -0.00620440 +C 8.79013151 7.44987264 6.28186481 0.00029245 -0.00374201 -0.00127303 0.01748905 -0.02573198 -0.01994666 0.00538168 -0.00293850 -0.00399574 +H 8.82779841 7.07937167 7.33594612 0.01567729 -0.00957263 -0.02673475 0.08365149 -0.12009843 -0.08747869 0.00331113 -0.02589812 0.01254532 +H 9.53197011 6.96094521 5.63768045 0.01744696 0.00474123 0.01299340 0.08262395 -0.01067447 0.08389327 0.00628026 -0.00928511 -0.00152902 +H 9.07130279 8.50905194 6.27998381 0.00811271 -0.02047436 0.00639420 0.04889697 -0.03462274 0.07383493 0.00371269 0.00906694 0.01361032 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99406745 5.49577881 5.86483889 0.00568568 0.00043637 -0.01106404 0.04003305 0.00691715 -0.06236375 0.00202445 0.00013906 -0.00811991 +C 2.30059092 5.97488813 5.99386740 -0.01013873 -0.00297985 0.00527600 -0.04572275 -0.00811923 0.02432157 0.00197834 0.00213439 -0.00052495 +H 0.80298129 5.44020162 4.94681385 -0.01802277 -0.02160724 0.01797925 -0.14243686 -0.17252900 -0.01510057 0.00046973 -0.01705322 0.01131410 +C 2.77436021 6.44110346 7.25501115 0.00083515 0.00433717 0.00069051 0.00169488 0.01713545 -0.00481316 -0.00192038 0.00053854 -0.00107463 +H 2.75776004 5.95438688 3.83035498 0.00824938 -0.00508696 0.01171685 -0.00165569 -0.13834240 0.05687186 -0.00861897 -0.02871290 -0.00092306 +C 4.13505267 6.84505972 7.33787929 -0.00737094 0.00385871 0.00587486 -0.02459660 0.00992433 0.01741183 0.00385966 -0.00074624 0.00075407 +H 2.16577825 6.38923727 8.14293960 0.01878733 0.01493335 0.01672374 0.08367697 0.09012289 0.04705408 0.00076130 0.00712557 -0.00657175 +C 5.00469716 6.81162055 6.20456216 0.00629440 0.00095100 0.00019828 0.02765274 0.01255909 0.01155309 -0.00065772 0.00213969 0.00376306 +H 4.51820151 7.04747542 8.28446598 -0.00335440 -0.02837804 0.00470842 -0.00908578 -0.08165687 0.10524723 -0.01311388 0.00348093 -0.00960976 +C 4.45596675 6.50573368 4.94383728 0.00118335 -0.00294405 -0.00550979 0.01222348 -0.00988117 0.00572686 0.00207587 0.00099281 0.00554166 +N 6.37808489 7.14084130 6.39978112 0.00072582 -0.00212082 0.00441722 0.00809877 -0.01307035 0.02683196 0.00347723 -0.00111041 0.00257087 +C 3.13311263 6.06449281 4.85276395 0.00280545 -0.00025845 0.00264361 -0.00091486 0.00338561 0.02255799 -0.00381548 0.00026396 0.00537771 +H 5.13412657 6.67718741 4.09436459 -0.03865486 0.01781783 0.02657273 -0.15592583 0.05454267 -0.13574036 -0.00337111 -0.00747523 -0.04268897 +C 7.48826988 7.10058533 5.59677937 0.00092653 0.00384927 -0.00272074 0.00267281 0.01395760 -0.01518458 -0.00131582 -0.00018603 0.00067796 +H 6.49118289 7.42129501 7.35482815 -0.00082636 0.00383012 0.00684068 0.10880108 -0.00172105 0.01004862 0.02471141 -0.00617181 -0.00490625 +O 7.44235916 6.89137337 4.34283107 -0.00437931 -0.00103786 -0.00011587 -0.02603509 -0.00258175 0.02476552 -0.00309750 0.00018718 0.00585113 +C 8.88746563 7.28898952 6.32222555 0.00573805 -0.00258291 -0.00112588 0.00161919 -0.00435248 -0.03230053 -0.00311788 0.00053034 -0.00637033 +H 9.39911101 8.10290084 5.83556732 -0.01372800 -0.00312867 -0.02006506 -0.03119896 -0.00102945 -0.10632976 -0.00060423 -0.00093085 -0.00038316 +H 8.80742019 7.54622433 7.34145632 0.00800191 -0.02016205 -0.00535732 -0.00417495 -0.05567199 0.05687905 -0.00373908 -0.00108019 -0.01219293 +H 9.49976222 6.40573560 6.32963688 0.00547046 0.03038533 -0.00652575 0.11959541 0.00670515 -0.14383244 0.00693194 -0.00646211 -0.03080024 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94385875 5.83156689 5.86041511 -0.00260969 -0.00135395 0.00134919 -0.00683159 0.00347747 0.01543937 0.00231242 0.00123075 0.00347465 +C 2.29129286 6.00066943 6.01313915 0.00280840 0.00062190 0.00079720 0.03032833 -0.01827910 -0.00856829 0.00416563 -0.00668135 -0.00272423 +H 0.56581007 6.65121395 5.61877991 0.01868541 0.03304856 0.00364832 0.08941804 0.02408984 0.04741958 -0.00430872 -0.00535109 0.00393539 +C 3.14078815 5.10898301 6.69324327 0.00537002 0.00193210 0.00422317 0.02253512 -0.00961955 0.04727504 -0.00006728 -0.00486419 0.00825322 +H 2.26342948 7.48434603 4.57995924 -0.01550175 0.01084251 0.00886176 0.05140956 0.07907757 0.02671961 0.02599012 0.00747568 -0.00159095 +C 4.53863587 5.25111074 6.85090754 -0.00078689 0.00192502 -0.00056043 0.00768796 0.04567478 -0.03607409 0.00335945 0.01060328 -0.00892706 +H 2.74676345 4.24030723 7.13522310 0.01906438 -0.01771667 -0.00672613 0.02729266 -0.05946331 0.02936864 -0.00462044 0.01540437 0.01126612 +C 5.14571583 6.29186496 6.05753837 -0.00211482 0.00454621 -0.00315886 -0.00319414 0.04064852 -0.03183639 0.00064320 0.00612471 -0.00555880 +H 5.11954320 4.55799705 7.45854979 0.00706090 0.01058748 0.00159382 0.02010838 0.07907831 -0.03040683 0.00205521 0.00850954 -0.00847453 +C 4.31851981 7.14125683 5.22452440 -0.00367688 0.00345134 -0.00296761 -0.01867377 0.00338238 -0.01043052 -0.00116559 -0.00088647 -0.00090316 +N 6.56473299 6.45731808 6.06238826 -0.00011523 0.00012116 -0.00629078 -0.02349250 -0.00120800 -0.02715387 -0.00554925 0.00004593 -0.00168535 +C 2.92987645 6.92274320 5.19325339 0.00469839 -0.00562663 -0.00303878 0.00497711 -0.01315910 -0.01890816 -0.00336938 0.00210330 -0.00215700 +H 4.68291359 7.90201045 4.54911709 -0.03290365 0.00985129 0.00114195 -0.07271965 0.08107901 0.03359964 0.01240409 0.00570332 0.01165728 +C 7.34261430 7.50612315 5.76145552 0.00342461 -0.00541127 -0.00029130 0.01932507 -0.03107206 -0.02684354 0.00093291 -0.00449559 -0.00640285 +H 7.09793069 5.76612535 6.54603746 0.01217942 -0.00213960 0.00305984 -0.04938459 0.00080287 -0.01219045 -0.02421845 -0.00136254 -0.00440832 +O 7.14841359 8.48321198 4.98407944 -0.00036272 -0.00314464 0.00264053 -0.01012165 -0.03831502 0.03558551 -0.00243324 -0.00673476 0.00658214 +C 8.70910124 7.27184311 6.33941517 -0.00621801 0.00330819 0.00136127 -0.02035388 0.01133880 0.02427748 0.00046199 0.00029641 0.00621428 +H 8.80933575 6.39441633 6.97170057 0.01319156 -0.02684185 0.00650058 0.00026401 -0.00352962 -0.05720625 -0.01398064 0.01448350 -0.01499534 +H 9.31784753 7.06893932 5.42291109 -0.00168123 -0.00406933 0.01397255 0.08849364 0.08153757 0.14321007 0.03352910 0.02600442 0.01110237 +H 9.01872063 8.14675232 6.90937802 -0.01307852 -0.00040639 0.03535515 -0.06734167 -0.05748073 0.11509055 -0.00693458 -0.01036119 0.00074371 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94559830 5.81312829 5.81014555 0.00223782 -0.00028056 0.00374424 0.03464442 -0.00557252 0.02797475 0.00556853 -0.00098656 0.00286708 +C 2.34445169 5.91061378 5.96352992 0.00440223 -0.00519253 -0.00424884 -0.01054841 -0.01377230 -0.04933133 -0.00421627 0.00142138 -0.00660853 +H 0.63976984 6.23721859 5.05946644 -0.01799989 -0.00922024 -0.00119467 -0.08443306 -0.08898011 0.02552916 0.00300149 -0.02231526 0.02070108 +C 2.94813943 5.72585827 7.17834826 -0.01139490 0.00637768 0.00129516 -0.04596523 0.03309361 0.03244453 -0.00083443 0.00287469 0.00636055 +H 2.52771252 6.42313228 3.93581648 -0.02974408 -0.01410986 -0.00123988 0.01625732 0.05355521 0.03996773 0.02956330 0.03029298 -0.00283131 +C 4.31650951 5.98194571 7.31996710 0.00520499 0.00059180 0.00132008 0.02005930 -0.01281948 0.01898960 -0.00208277 -0.00283599 0.00109393 +H 2.42751499 5.34204090 8.01437094 -0.01926488 -0.00118494 0.01051096 -0.14366017 0.05455930 0.00756705 -0.01159233 0.02157246 -0.01435809 +C 5.06997624 6.44555182 6.21503120 -0.00411014 -0.00296916 -0.00163405 0.00972264 -0.00414923 -0.01192938 0.00517289 0.00074757 -0.00030599 +H 4.75916667 5.67844312 8.27697151 0.01647431 -0.00285909 0.02703720 0.05520863 0.13420700 -0.02688601 0.00830701 0.02900260 -0.00807813 +C 4.48561918 6.63700841 4.93896436 0.00722518 0.00037037 0.00162781 0.01276970 0.00617585 0.02314965 -0.00459131 0.00089437 0.00554929 +N 6.44544957 6.72336193 6.40906888 -0.00516510 -0.00497829 -0.00731118 -0.02644284 -0.04053698 -0.05522848 -0.00037814 -0.00559948 -0.00998754 +C 3.08305266 6.38766808 4.86196767 0.00634816 0.00528502 0.00112343 0.03344863 0.01699925 -0.00961111 0.00230468 -0.00086729 -0.00265741 +H 5.06490655 7.04881713 4.06335033 -0.00331656 0.00937090 0.01680532 -0.01588764 0.00818012 0.07564575 0.01286718 0.00300739 -0.01666936 +C 7.39138340 7.31360548 5.62266413 0.00155828 -0.00414394 -0.00490275 -0.00445475 0.00628169 -0.03118759 -0.00353297 0.00509588 -0.00216951 +H 6.76778184 6.46296631 7.35587439 0.00153368 -0.02005740 -0.01586588 0.03855322 -0.17508239 -0.16535041 0.01300723 -0.03482685 -0.01188397 +O 7.21000786 8.15856658 4.72207481 -0.00031667 0.00393015 -0.00143964 -0.01408587 0.00658120 -0.00640226 -0.00353462 -0.00159132 -0.00083921 +C 8.82490404 7.19318560 6.04557742 -0.00199472 0.00364097 0.00475680 -0.00869306 0.02119845 0.05153746 0.00058532 0.00182985 0.01153652 +H 9.31301400 6.28263358 5.70492314 -0.01305842 0.01451856 0.00857307 -0.06428802 -0.01748217 0.01473364 -0.00736361 -0.01017934 -0.00170601 +H 9.40769558 8.03872132 5.69235773 0.00813654 -0.00824042 0.01332227 0.06238790 -0.00789980 0.04879127 0.00284158 0.00045976 0.00202297 +H 8.81898825 7.24288655 7.08548745 0.01226113 -0.00415503 0.01496018 0.10146686 -0.04539567 0.11833426 0.00807166 -0.00744141 -0.01310545 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96446747 5.59993186 5.62765284 -0.00142034 0.00600489 0.00109674 -0.01267863 0.04468929 0.00759181 0.00007501 0.00651461 0.00210718 +C 2.20783950 6.09605923 5.74927509 0.01043737 -0.00154511 -0.00273179 0.09494418 -0.02099585 0.00312352 0.01001763 -0.00348814 0.00064767 +H 0.69667625 4.90302106 6.15075236 -0.01149543 0.00728725 0.01592976 0.00352970 0.09067806 0.09208034 0.01329465 0.02906189 0.00047527 +C 2.69587601 7.16678992 5.02821075 0.00626487 -0.00196291 -0.00283955 0.04578067 0.00025065 -0.04413439 0.00458034 0.00028619 -0.00942826 +H 2.84592446 4.76224564 7.30968230 0.00515187 0.00850248 0.02065158 0.06484698 0.00363409 0.05808282 0.00184645 -0.01473512 -0.00037139 +C 4.05194814 7.67415795 5.11509278 -0.00033121 -0.00543537 -0.00058357 -0.01809172 -0.03930799 -0.02480907 -0.00289528 -0.00362438 -0.00617174 +H 2.02771463 7.54428352 4.28452042 0.00677586 -0.01057506 -0.00505217 0.03402742 0.03509788 -0.03938567 0.00718958 0.01628246 0.00023240 +C 5.02437717 7.02286246 5.91238053 -0.00964617 0.00327522 -0.00137999 -0.06015737 0.02129879 -0.01429449 -0.00450769 0.00002522 0.00014009 +H 4.32584950 8.40674274 4.35067714 0.02009062 0.00118429 0.01281835 0.09651436 0.04588577 0.16538110 0.00171394 0.01597095 0.02005897 +C 4.54493173 5.92025456 6.61792664 -0.00516254 -0.00622893 -0.00005785 -0.02278554 -0.04197953 0.02101220 -0.00317771 -0.00264208 0.00284268 +N 6.32590137 7.51850475 5.81599142 -0.00046660 0.00679286 0.00484266 -0.01325507 0.04030730 0.03441177 -0.00386117 0.00226325 0.00500585 +C 3.19620060 5.52169585 6.61257685 -0.00107642 -0.00210853 0.00212395 -0.02707282 -0.02386665 0.02162366 -0.00289213 -0.00479969 0.00510871 +H 5.21466802 5.36774965 7.32582768 -0.02256249 -0.01542726 0.00026601 -0.08209919 -0.06805692 -0.03421382 0.01981370 -0.01550533 0.00914750 +C 7.50195841 6.89750465 6.08928467 -0.00861537 -0.00201632 -0.00469547 -0.01532259 -0.02607092 -0.02895357 0.00449122 -0.00380732 -0.00271342 +H 6.32301502 8.47958132 5.44881133 0.00002834 0.00349675 -0.00713058 0.11221019 -0.02808461 -0.04210361 0.02594293 0.00564479 -0.00932603 +O 7.57621195 5.77058261 6.59315347 0.00656242 -0.00304828 0.00065479 0.03276830 -0.01321478 0.00001584 0.00236522 -0.00074883 -0.00089002 +C 8.90179721 7.51507345 5.72977819 0.00319477 0.00437953 -0.00028266 -0.01394323 0.03241196 0.00634714 -0.00830237 0.00520669 0.00165917 +H 8.85312709 8.37501264 5.08553942 -0.00368692 0.01297127 0.01539170 -0.04939169 0.07509930 0.02377974 -0.00861513 -0.00189516 -0.00242478 +H 9.31393480 7.89509587 6.66790500 0.00358905 -0.00302585 -0.01412319 0.05761526 -0.00081775 0.00276503 0.01125234 -0.00204341 0.01011947 +H 9.69184389 6.82244070 5.38394154 -0.01422226 -0.00700660 -0.00936263 -0.17355246 -0.04227442 -0.10936312 -0.02551059 -0.00270629 -0.02247688 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00236550 5.81268118 5.87955318 -0.00345266 -0.00295455 0.00150312 -0.00617515 -0.03553752 0.01226192 0.00144666 -0.00643477 0.00184399 +C 2.38957011 5.89528562 5.87957181 0.00228046 0.00657215 0.00643257 -0.02280108 0.01093417 0.03864277 -0.00600226 -0.00406890 0.00431258 +H 0.46346049 6.61865743 5.80361321 0.00732791 -0.01614315 -0.01719654 0.06254618 -0.01853181 -0.13336219 0.00752994 0.00708927 -0.01892295 +C 3.21743580 4.74912536 5.97165421 -0.00205408 -0.00875976 -0.00115351 -0.00592107 -0.02850153 -0.00510694 0.00045767 0.00474030 0.00021046 +H 2.20987301 7.98056607 5.59982355 0.00264680 -0.02404714 -0.02568630 -0.01089476 0.01114344 -0.14260418 0.01440828 0.01264794 -0.00620481 +C 4.63132522 4.97719791 5.97173928 -0.00247178 0.00425957 0.00236702 -0.02131276 0.03785433 0.00185853 -0.00355864 0.00527095 -0.00277053 +H 2.74839068 3.73471170 5.99061542 -0.00154655 -0.00819865 0.00083075 0.06209638 -0.00526059 0.00789154 0.00753097 -0.01604054 0.00024433 +C 5.12864884 6.31013817 5.93643052 -0.00037735 0.00145921 -0.00661968 -0.00615081 0.01318637 -0.05322145 -0.00110773 0.00172406 -0.00764153 +H 5.40505415 4.20845029 5.92433472 0.00822694 0.03364569 -0.03562629 -0.03884291 0.04671742 -0.13104270 -0.01665363 -0.02122026 0.00266122 +C 4.25115789 7.38584049 5.77022524 0.00455519 -0.00236156 -0.00025335 0.02050080 0.00610602 0.00972096 0.00195017 0.00359959 0.00238300 +N 6.48471221 6.52590458 5.90750966 -0.00317159 0.00065254 -0.00365640 -0.00864509 -0.01533834 -0.01989580 0.00071370 -0.00342107 -0.00173620 +C 2.87813267 7.16112425 5.70724150 0.00735737 0.00535861 0.00172155 0.04996511 0.03417490 0.01395802 0.00227011 0.00386959 0.00168882 +H 4.53900737 8.45041243 5.82508141 -0.00539701 -0.00241866 0.00207611 0.07510869 -0.04937238 -0.09011290 0.02860140 0.00716621 -0.02552979 +C 7.32020730 7.56000737 5.89907218 -0.00239095 0.00013199 0.01204634 -0.01057039 -0.01292437 0.08901872 -0.00076560 -0.00351279 0.01174684 +H 6.98566777 5.63021107 5.95520370 0.00291399 0.00894858 -0.00241706 0.03496612 0.03998591 -0.02417047 0.01105330 -0.01483204 -0.00383849 +O 7.01184512 8.74552111 5.91235595 0.00167998 -0.00236273 -0.00623407 0.00965476 -0.01224351 -0.04421390 0.00097779 -0.00120117 -0.00599223 +C 8.77681256 7.10009906 6.05911089 -0.00409357 -0.00298524 0.00559699 -0.01048740 0.00764193 0.02145487 0.00065681 0.00426906 0.00188547 +H 9.32510581 7.34380333 5.14649925 0.01491481 0.03763113 -0.00702044 -0.01805370 0.16628999 0.12637577 -0.01409608 0.01296266 0.02493762 +H 9.23170234 7.60880808 6.90575151 0.00433136 -0.00264303 -0.00203832 0.01117145 0.02254944 0.00653399 -0.00281485 -0.00062750 0.00779655 +H 8.95983131 6.05900365 6.33794307 0.00536227 0.00476365 -0.02698065 -0.03243861 -0.05788855 -0.22199562 -0.01127864 -0.00777127 -0.03196163 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00482018 5.74762323 5.73313380 0.00069475 -0.00014843 0.00142649 0.01102545 0.00147529 0.01377021 0.00156891 -0.00119262 0.00020040 +C 2.33958443 6.03408869 5.89228590 0.00181952 -0.00109885 -0.00354779 -0.00377335 0.03238930 -0.01215491 -0.00111525 0.00750256 -0.00024808 +H 0.77283654 5.13218002 5.09373281 0.00623355 0.02494003 -0.00280235 0.05337740 0.05443348 -0.10296209 0.01748419 0.02012487 0.00869529 +C 2.64672844 7.36025454 6.33472916 0.00320319 -0.00220322 0.00366887 0.02747815 -0.01310371 0.01917528 -0.00314743 0.00153096 0.00140296 +H 3.07200966 4.15700796 5.13970235 0.02006382 -0.00541332 0.01399475 0.21583974 -0.00157900 0.17831545 0.01970477 -0.04260729 0.01323271 +C 4.00143008 7.85248122 6.47248049 -0.00471527 0.00084471 0.00111245 -0.04959108 -0.02608016 -0.00018915 -0.00390576 -0.00461493 0.00014571 +H 1.91968165 8.02885730 6.56361114 0.00267850 -0.00507174 -0.02935673 -0.11725924 0.03124022 -0.12591142 0.01375040 -0.02161674 -0.00877246 +C 4.98653644 6.94286404 6.13797689 0.00551880 0.00210431 0.00343591 0.03123280 0.00326553 0.03032432 -0.00200034 -0.00149878 0.00446316 +H 4.21568550 8.82452218 6.81268470 -0.00203908 -0.01321678 -0.00705412 -0.03798816 0.05453552 -0.03036186 -0.01867600 -0.00460003 -0.01139963 +C 4.66995823 5.59934294 5.84198824 -0.00282857 0.00508367 -0.00072016 0.01622210 0.02030782 -0.03203126 0.00564754 0.00256124 -0.00713264 +N 6.32072062 7.36736854 6.29011455 -0.01333537 0.00000380 -0.00296865 -0.05877377 0.01751274 -0.00962945 0.00038047 0.00531723 0.00019245 +C 3.36523022 5.17118688 5.60634412 0.00295602 0.00013738 0.00109754 0.01125668 -0.01345191 0.00300601 0.00185216 0.00140728 0.00211752 +H 5.46496844 4.88980047 5.57096053 0.02029455 0.00241970 -0.00775150 0.00674112 0.08910360 0.03597966 0.00398303 -0.00082342 0.00858285 +C 7.48064316 6.93261477 5.76859751 -0.00091398 0.00197740 -0.00229755 -0.04585948 -0.00650387 -0.05052789 -0.01134620 -0.00049896 -0.00791242 +H 6.37855028 8.21341317 6.79890726 -0.00608718 -0.00216442 0.01321571 -0.00867117 -0.05378963 0.10528137 0.00033215 -0.01808448 0.01063859 +O 7.43805504 6.11988832 4.79784858 0.00304742 0.00129074 0.00236199 0.02980886 0.01551500 0.02874516 0.00482836 0.00138832 0.00363468 +C 8.79791749 7.47981425 6.24932901 0.00083867 -0.00874933 -0.00157053 -0.00434227 -0.04468032 -0.01485265 -0.00309105 -0.00444744 0.00069452 +H 8.59223447 7.79147831 7.22780980 -0.00571209 0.01678047 0.00198669 0.09810846 0.04748793 0.03197315 0.03175819 -0.01292527 -0.01981730 +H 9.49321993 6.62789803 6.14588629 -0.00401024 -0.00772541 -0.00973700 0.03240900 -0.00103104 0.03954836 0.01216197 -0.00117713 0.02015655 +H 9.09458044 8.36291605 5.63180631 0.02444307 -0.00604521 -0.00541997 0.13307932 -0.16317334 0.00931563 0.01650977 -0.01842345 -0.00777585 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02346265 5.63874523 5.70968500 0.00556635 -0.00778288 0.00128497 0.04172321 -0.04979000 0.01035617 0.00522919 -0.00451427 0.00182196 +C 2.29094416 6.13887207 5.86987663 -0.00321524 0.00414335 0.00113774 -0.01214176 0.00929199 0.00493882 0.00001580 -0.00064604 0.00069955 +H 1.11694553 4.67406375 5.54240903 0.02391471 0.00071544 -0.03430169 0.07195560 0.06048276 -0.23354002 0.00079022 -0.01203667 -0.03844524 +C 2.58470534 7.51126475 5.93522458 -0.00358625 0.00256005 0.00312231 0.01196324 0.02073237 0.02863014 0.00578484 0.00294343 0.00394723 +H 3.09829308 4.07627058 5.90888872 0.02201471 -0.00131841 -0.02095726 0.15695030 0.11721399 -0.11495485 0.00364182 -0.01803838 -0.01155317 +C 3.95793825 7.93478940 6.04714173 0.01032825 -0.00686165 -0.00462122 0.02632199 -0.04340646 -0.02396398 -0.00551788 -0.00090779 -0.00129953 +H 1.79377592 8.23231104 6.04179125 0.01452880 0.01068382 -0.01150183 0.03462553 0.09159702 -0.11831050 0.00479555 0.00411073 -0.01659286 +C 5.03214216 6.97589723 6.01152641 -0.00395289 0.00302893 0.00279610 -0.02205642 0.03580843 0.01873996 -0.00040799 0.00303253 0.00212554 +H 4.18709102 8.95663546 6.23200392 -0.01432550 -0.00101305 0.01156748 -0.05826288 -0.01237304 -0.01332718 0.00259234 -0.01330418 -0.01902539 +C 4.69810176 5.62236222 5.95252900 -0.00407504 0.00425849 -0.00301275 -0.04741315 0.02427972 -0.00723190 -0.00666166 0.00236398 0.00172783 +N 6.32960837 7.50601790 6.11366810 -0.00039270 -0.00707456 0.00223487 -0.01214340 -0.01790384 0.02097084 -0.00281217 -0.00279672 0.00271077 +C 3.35361274 5.19569445 5.92591002 -0.00483210 0.00458587 0.00007764 -0.03293535 0.03059420 -0.01111377 -0.00227006 0.00761432 -0.00337206 +H 5.42004323 4.85164343 6.03136736 -0.01466018 0.02128447 0.01614942 0.00936751 0.01251665 0.06025459 -0.00395122 -0.00002968 -0.00460309 +C 7.47300369 6.88223271 5.88377541 -0.00084103 -0.00195601 -0.00129288 -0.00314744 -0.03036417 -0.01981921 -0.00034381 -0.00208900 -0.00265249 +H 6.40444379 8.53155429 6.28227184 -0.00493257 0.02646804 0.01088786 -0.02636821 -0.12599645 0.05344333 0.00425940 0.00352547 0.01611031 +O 7.45669644 5.68985749 5.49232497 -0.00254738 0.00381914 0.00364063 0.00004422 0.03011775 0.02544582 0.00238871 0.00226101 0.00273361 +C 8.80444813 7.62124163 6.04086779 0.00195633 -0.00034157 -0.00072154 0.01607842 -0.01273949 -0.02214396 0.00295588 -0.00406352 -0.00273955 +H 8.67813450 8.69770261 5.99010085 0.01836056 0.01900503 -0.01916831 0.14057324 -0.01914363 -0.13103990 0.01434750 -0.02300102 -0.01655747 +H 9.16452591 7.33302440 6.97501453 -0.00823134 0.00041893 0.00249909 -0.00116034 0.05268238 0.09955872 -0.00142509 0.02103853 -0.01436688 +H 9.54412764 7.22717289 5.37539757 0.01879266 -0.02724008 -0.03444648 -0.06724964 -0.02342759 -0.08087162 -0.03008994 0.01408251 0.01368904 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92948193 5.67356839 5.87789965 -0.00107129 -0.00070259 -0.00326901 0.01446443 0.00279118 -0.02936520 0.00449117 0.00055820 -0.00208260 +C 2.30605674 5.97855091 5.97417244 -0.00301430 0.00239904 0.00687083 -0.04112850 0.01294562 0.02298880 -0.00681971 0.00125356 0.00034701 +H 0.62875560 5.83591507 4.96649222 -0.01259658 -0.00690526 -0.01465870 -0.06852482 -0.06629937 0.03591442 -0.01647614 -0.00408816 -0.01626393 +C 3.01103550 5.63434967 7.10713185 0.00215603 -0.00307137 0.00015950 0.01080307 -0.01173970 0.01629138 0.00123851 0.00000200 0.00532186 +H 2.52765232 6.82380758 4.00530217 0.02416018 0.00289365 -0.01368875 0.07226568 -0.01235325 -0.05159397 -0.00849107 -0.01041438 0.01136867 +C 4.37571688 5.93228845 7.18021060 -0.00200064 0.00550425 0.00285552 0.01693067 0.03882517 0.02431388 0.00480171 0.00424606 0.00380436 +H 2.46004206 5.22818858 7.92387266 0.01966783 -0.00531580 0.01817615 0.14688342 -0.05678925 0.09168885 0.01859256 -0.00750828 -0.00316847 +C 5.18379162 6.49557699 6.11143054 -0.00217019 -0.00061706 -0.00718273 -0.06244361 -0.02620451 -0.01367751 -0.01085400 -0.00511622 0.00236218 +H 4.78791119 5.73776756 8.14629810 0.00439017 -0.00601077 0.01517117 0.08185294 -0.04432143 -0.02800924 0.01767776 -0.00320592 -0.02111587 +C 4.40588886 6.86246488 4.96248142 0.00034114 0.00527195 -0.00483483 0.01466705 0.00886259 -0.02647171 0.00014978 -0.00400585 -0.00256338 +N 6.55213266 6.50428118 6.31120115 -0.00050016 -0.00273570 -0.00737813 -0.01189877 -0.01061070 -0.05955296 -0.00411159 -0.00049968 -0.00970621 +C 3.03753194 6.58066301 4.90576628 -0.00741569 -0.00210720 0.00707384 -0.04953623 -0.00189031 0.03095578 -0.00325683 0.00299556 -0.00054901 +H 4.89503030 7.19252359 4.06840815 0.01233847 -0.03118043 -0.01542291 0.05208571 -0.10370758 -0.06068995 -0.00183759 0.00286789 0.00556052 +C 7.37254633 7.31653842 5.66443492 0.00006219 0.00255771 0.00298437 0.02364362 0.03334574 0.02351035 0.00588684 0.00438596 0.00525873 +H 6.98511381 6.01666359 7.07368404 0.01724211 -0.03043510 -0.01473210 -0.03123741 -0.16423798 -0.18967459 -0.02047772 -0.01747357 -0.03214209 +O 7.10322360 8.18742541 4.81160864 0.00684585 -0.00469943 0.00322569 0.04067544 -0.03717246 0.02205532 0.00443804 -0.00440677 0.00192795 +C 8.79777417 7.23001267 6.16135877 -0.00279142 0.00200243 0.00452395 0.00867806 0.02854161 0.02646522 0.00346964 0.00385874 0.00144465 +H 9.56823216 7.37765400 5.37985372 -0.00725160 0.01925201 -0.01017490 -0.17474402 0.12727706 -0.04833323 -0.02451561 0.01895542 -0.01266341 +H 9.08034695 7.97865008 6.95758856 0.01962954 0.02335176 0.00669784 -0.01287536 -0.02453028 -0.04914966 -0.01124431 -0.00092901 0.00829786 +H 8.94932733 6.18350534 6.47315801 0.01445939 0.01583536 -0.01651085 0.15847329 0.05284579 -0.00030628 0.02633567 -0.00097109 0.01364093 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01704746 5.72361863 5.85778878 0.00413464 0.00107331 -0.00141856 0.03172893 0.01941309 -0.00712535 0.00473090 0.00216741 -0.00176383 +C 2.31334189 6.15793394 5.87103550 0.00628210 -0.00188629 -0.00730442 0.02820996 -0.01610648 -0.03306903 0.00294744 0.00041610 0.00028708 +H 0.88633122 4.85715989 5.48433245 0.02025667 0.02082485 0.00941480 0.10307816 -0.01391609 -0.01645167 0.00781721 0.00250860 -0.00181980 +C 2.68430157 7.19013381 6.69230262 0.00603867 -0.00205936 0.00467109 0.02279869 0.01084306 0.03177080 -0.00322579 0.00363025 0.00327396 +H 2.90081031 4.54858562 4.65115481 -0.00444962 0.00643358 0.00322509 0.11076517 0.07519953 -0.06882617 0.03070442 0.00490506 -0.02629868 +C 4.03748737 7.62999910 6.79304282 -0.00555827 0.00589122 0.00295618 -0.04012926 0.03515214 0.00967783 -0.00007492 0.00438869 -0.00009135 +H 1.91131831 7.71896784 7.14779211 -0.01404153 0.00854731 0.00328392 0.00328131 0.01612344 0.06452832 0.02642242 -0.01321787 0.00770587 +C 5.00892871 6.93335866 6.09065576 0.00539303 -0.00281776 -0.00044856 0.04365860 0.00408191 0.01803954 0.00066703 0.00294308 0.00536596 +H 4.18481047 8.53479684 7.31425850 0.00374412 0.01300709 0.00777013 0.06930123 0.00517546 0.08243604 0.00415189 -0.02319414 0.00502787 +C 4.62952337 5.84768745 5.26061209 0.00109555 -0.00663331 0.00233988 0.00828815 -0.04331836 0.02034773 0.00600841 -0.00443981 0.00350540 +N 6.35388530 7.41560808 6.30833705 -0.00403307 0.00738240 0.00277355 -0.04354272 0.01723298 0.00066189 -0.00507333 -0.00268993 -0.00269205 +C 3.25831835 5.44324794 5.16247857 0.00902377 0.00531493 -0.00081518 0.06490782 0.02385402 -0.00730918 0.00702525 0.00082078 -0.00168343 +H 5.32514814 5.26401797 4.71366082 -0.01876002 -0.00909844 0.00372116 0.00149205 -0.09983105 -0.01588657 0.00492816 -0.00516889 0.00468114 +C 7.44383582 6.82728597 5.81164095 -0.00470562 -0.00043339 0.00055372 -0.00754232 0.00622231 -0.00227387 -0.00017068 0.00010053 -0.00197444 +H 6.52524583 8.25210276 6.84091066 -0.00197815 0.00879612 0.01819036 -0.09368865 -0.00885570 0.03940907 -0.02185326 -0.00701401 -0.00584944 +O 7.59177684 5.72680993 5.26589299 -0.00270979 -0.00778186 -0.00257500 -0.02979432 -0.03876134 -0.00778700 -0.00561275 -0.00188458 0.00096317 +C 8.66474362 7.75951854 5.89169626 -0.01090286 0.00288933 -0.00466211 -0.05948152 -0.01447705 -0.01920000 -0.00648493 -0.00361975 -0.00183254 +H 9.36250661 7.51694552 6.72137552 -0.00758794 -0.01260532 -0.01571716 -0.13717466 -0.13112295 -0.04943297 -0.01723494 -0.02472502 0.01311578 +H 9.31310516 7.53559189 5.05474836 -0.00002480 -0.00329808 0.00565874 -0.05527022 0.13945234 -0.06644560 -0.02127210 0.03945493 -0.01713169 +H 8.42225302 8.78974252 6.08611042 -0.02316579 -0.03187556 0.02158207 -0.15083316 0.01091338 0.04387058 -0.00890675 0.00882033 -0.01094504 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96457438 5.78158046 5.65979629 -0.00434836 -0.00594300 -0.00137874 -0.02847382 -0.03995947 -0.01965325 -0.00344818 -0.00514677 -0.00245565 +C 2.28321523 6.07925200 5.70437031 -0.00346185 0.00616726 0.00127874 -0.03385576 0.03355087 0.04135076 -0.00713749 0.00271480 0.00826201 +H 0.50069964 5.65324015 6.49463116 0.01736305 0.00576592 -0.01217317 0.07956444 0.00024225 0.05324236 0.00580604 -0.00564657 0.00862854 +C 2.85314678 6.81496656 4.67219978 -0.00768353 -0.00349782 0.00431062 -0.03044530 -0.01376656 0.00937130 0.00057225 0.00089091 -0.00287755 +H 2.66734808 5.14612509 7.69452392 -0.03132338 0.02043408 0.01778912 -0.15174710 0.22079877 0.01090827 -0.01183572 0.02224163 0.00081176 +C 4.19203397 7.22983744 4.71000187 0.00442534 -0.00114929 -0.00299505 0.02062389 -0.01846527 -0.00938797 -0.00085196 -0.00425342 0.00088499 +H 2.22396053 6.99721013 3.83031466 0.00357425 0.00230803 0.00603036 -0.00652069 0.07160829 -0.02512458 0.00005186 0.01067068 0.00113401 +C 5.01211323 6.86451614 5.81387572 0.00066723 0.00224897 0.00589083 -0.00107574 0.03728983 0.00207670 -0.00142843 0.00735581 -0.00477434 +H 4.59653933 7.75977622 3.84651358 0.00865248 0.00945901 0.00116950 0.02757653 0.05087382 0.05999025 0.00017520 0.00589734 0.00693729 +C 4.44309756 6.13504192 6.84122314 0.00206424 0.00134905 -0.00956565 -0.02862423 -0.01997595 -0.02197941 -0.00774257 -0.00596443 0.00271353 +N 6.29724318 7.36955062 5.80984282 -0.00367978 0.01178742 0.00076333 -0.00398165 0.07784406 0.00279309 0.00323634 0.00996449 -0.00023092 +C 3.04746727 5.78105816 6.86644400 -0.00769508 -0.00560776 -0.00002346 -0.02205122 -0.03230582 -0.01870845 0.00144140 -0.00166102 -0.00530843 +H 4.95555448 5.79128586 7.73699866 0.00097860 0.01103719 -0.01963061 0.14364874 0.10183656 -0.09321135 0.02648276 0.01287637 -0.00299995 +C 7.49562030 6.92959391 6.20628488 0.00384472 -0.00134400 0.00002416 0.02403058 -0.01148132 -0.00512589 0.00210366 -0.00142700 -0.00111557 +H 6.42455308 8.16431335 5.23256812 -0.01302897 0.00093326 -0.00888211 -0.09563342 0.06767400 -0.07441263 -0.00853176 0.00374048 0.00250395 +O 7.70379298 5.91064935 6.84527086 0.00887280 -0.00117399 0.00324631 0.05026194 -0.00964656 0.02573415 0.00495955 -0.00111438 0.00365809 +C 8.72046586 7.69650433 5.69386658 0.00588323 -0.00643113 0.00303492 0.04229299 -0.05562332 0.02267990 0.00632475 -0.00702928 0.00271415 +H 9.05660677 8.34177073 6.49779188 0.00929288 0.00098485 -0.01226107 0.05352302 0.11120523 -0.11321602 0.00511006 0.01310700 -0.01874133 +H 9.53641835 6.94067426 5.70456354 0.00518773 0.00385759 -0.04076986 0.03538233 0.02719712 -0.29090297 0.01054542 -0.00413296 -0.03074997 +H 8.62882554 8.10501783 4.66910138 0.00192791 -0.00713489 0.00518183 -0.02948672 0.01672322 0.09578329 -0.01671038 0.01385150 0.01065589 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97668534 5.81011999 5.99280972 0.00827498 -0.00356365 0.00303214 0.03691909 -0.02323197 0.00520543 0.00016715 -0.00331876 -0.00125496 +C 2.33977166 5.96092024 5.91729208 -0.00866538 -0.00524952 -0.00393176 -0.04972453 -0.02863969 -0.02269485 -0.00095821 -0.00394480 0.00012602 +H 0.48995621 6.12655860 5.27630193 -0.00041819 0.00112981 -0.01139422 0.07117158 -0.01668989 -0.00135209 0.01419223 -0.00316790 0.00431769 +C 3.03939012 5.44443465 6.94545110 -0.00367564 -0.00096712 -0.00091182 -0.02140991 -0.01499823 0.02898461 -0.00270930 -0.00089424 0.00478850 +H 2.41879999 7.10895718 4.16551824 -0.00668605 0.03144207 0.01354744 0.03472281 0.18485766 0.06461059 0.01629364 0.00912365 0.01586458 +C 4.37937687 5.75967705 7.13537280 -0.00703641 0.00296918 0.00405529 -0.02251553 0.01911482 0.01098026 -0.00057312 0.00257783 -0.00140083 +H 2.56101082 4.86136577 7.77621315 -0.00946072 0.01150962 -0.00137865 -0.09390395 0.05173053 -0.05771741 -0.02538246 -0.01472520 0.01280372 +C 5.09315864 6.51834424 6.14866676 -0.00343886 0.00062253 -0.00516320 -0.01963991 -0.01891066 0.01967558 -0.00179519 -0.00444504 0.00796544 +H 4.85779810 5.29434990 8.02268748 -0.00303389 0.00212004 -0.00041687 -0.00004292 0.10877688 -0.01597274 0.01081599 0.01781719 0.01503434 +C 4.35928213 6.93695561 5.07258313 0.00388545 0.00185497 -0.00018918 0.03026453 0.02544703 -0.04315786 0.00226516 0.00283684 -0.00769617 +N 6.42415923 6.80703474 6.43668931 -0.00079693 0.00252653 0.00049771 -0.01463198 0.00915731 -0.00578337 -0.00229511 0.00107881 -0.00441182 +C 3.00994829 6.73020444 4.95051392 -0.00089649 -0.00028641 0.00795437 -0.03931853 0.00191423 0.04124813 -0.00759308 0.00363325 0.00070263 +H 4.79913029 7.41103326 4.18469124 0.01449496 -0.00371623 0.00357726 0.14164950 0.07775116 0.08710575 0.02286106 0.03169132 0.00500779 +C 7.39516298 7.27543559 5.65253819 0.00315579 -0.00118692 -0.00731038 0.03010518 -0.00337161 -0.03031440 0.00462484 0.00024319 -0.00081867 +H 6.63919315 6.52020129 7.41081387 -0.00577123 0.01257064 0.00628370 0.05047152 0.15959675 -0.02915224 0.01999102 0.02306792 0.01028973 +O 7.36625380 7.52895885 4.47457140 0.00351330 0.00197583 -0.00445106 0.00715625 0.01095042 -0.04842890 -0.00094334 0.00102070 -0.00857590 +C 8.69023454 7.58304374 6.28500677 0.00704662 -0.00197720 0.00255266 0.04625619 -0.01290479 0.05373903 0.00362683 -0.00274162 0.00820305 +H 9.27808191 6.68034787 6.60111168 -0.02139147 -0.00038218 0.00196824 -0.08879586 -0.07895475 -0.06645267 0.00843038 -0.03131884 -0.00910162 +H 9.28157349 8.20595463 5.57180522 -0.00560018 -0.00514633 0.02431090 0.09641416 0.02274776 0.15770411 0.03423115 0.01358633 0.01530533 +H 8.60050317 8.11535566 7.28407227 -0.02347618 -0.00914390 0.01418703 -0.16001871 -0.05667205 -0.06896233 -0.02013886 0.00799395 0.00638107 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02290872 5.89522310 5.72480091 -0.00848690 -0.00243426 -0.00165860 -0.05205881 -0.02418904 -0.01795754 -0.00487623 -0.00257075 -0.00114760 +C 2.33349464 6.14996593 5.94016639 0.00267336 -0.00037364 -0.00174161 -0.01762195 -0.00762524 -0.01063613 -0.00885409 -0.00118204 0.00024850 +H 0.88885861 5.33442541 4.95772137 0.00372059 -0.01716783 -0.01984471 0.00390961 -0.00678806 0.01433137 -0.00909026 -0.01141723 -0.01185227 +C 2.70495012 6.90016321 7.05211369 0.00036248 0.00481424 0.00297324 0.00623392 0.01954315 -0.00006819 -0.00041733 0.00005113 -0.00356969 +H 2.94577882 4.90569610 4.31069984 0.01323522 -0.00293502 -0.01614889 0.04587135 0.01109599 -0.07551476 0.00368887 0.02001182 0.01857390 +C 4.05455630 7.26477914 7.10872990 -0.00047203 -0.00312543 0.00104240 0.02139151 -0.02891505 -0.01887911 0.00678402 -0.00276934 -0.00340999 +H 2.01358291 7.17327350 7.80831310 -0.01419552 -0.00537987 -0.00063037 -0.06891813 0.04519963 -0.03616123 0.00998428 0.01532777 -0.01769618 +C 5.03515531 6.80084370 6.14237875 0.00985741 0.00029605 -0.00407180 0.02553837 -0.00032775 0.02066465 -0.00327270 -0.00112187 0.00863575 +H 4.32786620 7.89419151 7.93706989 -0.00303588 -0.01836677 -0.02665254 0.06970937 0.01531234 -0.00978473 0.01371641 0.00757098 0.00667964 +C 4.62893340 5.78984246 5.21436885 0.00632043 0.00645682 0.00112930 0.04303961 0.04508524 -0.00223602 0.00074606 0.00703432 0.00042974 +N 6.34221550 7.23800451 6.40952543 -0.00671117 -0.00029943 0.00320774 -0.02040473 0.00139256 0.00121255 0.00233186 0.00152313 -0.00253244 +C 3.25981205 5.58155683 5.03381950 -0.00476323 -0.00192996 0.00678568 -0.00328436 -0.02159314 0.04242054 0.00599798 -0.00521047 0.00225244 +H 5.35479369 5.21544166 4.59124911 0.02207993 -0.01436045 -0.00381213 -0.02753222 0.06957868 0.05144579 0.00151229 0.01309314 -0.00808769 +C 7.44867101 6.96907550 5.65353312 0.00001767 0.00496519 -0.00060897 -0.00718636 0.04596840 0.02587568 -0.00285276 0.00533386 0.00567141 +H 6.41923323 7.88620427 7.16935656 -0.00799636 0.02281089 0.00454845 -0.02322929 0.05273340 -0.06993434 0.00031934 -0.00226205 -0.01519074 +O 7.46816587 6.15295041 4.73571334 -0.00203229 0.00269828 0.00182828 -0.00356086 0.02591261 0.01327433 0.00095476 0.00530273 0.00262183 +C 8.72988499 7.79848805 6.08847503 0.00077185 -0.00435894 -0.00495028 -0.00156487 -0.04219342 -0.04061670 0.00206270 -0.00722930 -0.00448565 +H 8.54970639 8.35706292 6.98453163 0.03664769 -0.02831185 0.03777958 0.22189551 -0.18617211 0.07448190 0.01918193 -0.02135322 -0.03068721 +H 9.54339174 7.12255272 6.22379529 0.01015492 0.00238135 0.00326098 0.04325082 -0.03492335 -0.00805752 -0.01485961 -0.00932609 -0.01410194 +H 8.98746198 8.47613574 5.29194762 0.02363713 -0.01906327 -0.03241616 0.10843824 -0.13121135 -0.08022821 0.00307480 -0.01547704 0.01537034 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97116964 5.82071174 5.80881144 0.00297565 0.00124314 -0.00881388 0.01614066 0.00935451 -0.05477550 0.00111219 0.00039961 -0.00852344 +C 2.28172586 6.11022913 5.93002467 0.00042738 0.00449314 0.00399143 0.02088806 0.02752639 0.02171089 0.00715048 0.00237499 -0.00057892 +H 0.81243394 5.43965352 4.98686363 0.00172530 -0.00436770 0.01176673 -0.03391722 -0.08420126 -0.04483496 0.00144198 0.00164302 0.01386857 +C 2.73111755 6.59377325 7.16886525 0.00452861 -0.00213587 0.00697801 0.06544789 -0.00182266 0.04141033 0.00981341 0.00075017 0.00387797 +H 2.86127988 5.51970129 3.93963248 0.00524441 -0.01736440 0.02460171 -0.02916108 -0.18890654 -0.01004954 -0.00013124 -0.01915488 -0.00670597 +C 4.09450043 7.02869755 7.24752954 0.00148906 -0.00238233 0.00135100 0.02794476 -0.02259827 0.01491618 0.00407769 -0.00302143 0.00467190 +H 2.22422116 6.69727537 8.11879335 0.00875351 -0.00300594 -0.00458480 -0.13611745 0.00706956 -0.06500567 -0.02766844 0.00606510 -0.01716338 +C 5.06139179 6.69670517 6.20942729 -0.01171148 0.00289440 0.00256092 -0.05990763 0.03902871 0.02733809 0.00045806 0.00782764 0.00352219 +H 4.55291671 7.49225248 8.10376299 0.01156342 0.02420835 0.01879630 -0.12760802 0.03223295 0.01270276 -0.03214282 -0.01010851 -0.00588928 +C 4.58263663 6.07355829 5.01169806 -0.00145002 -0.00118796 0.00006618 -0.01142997 0.00529018 0.03134003 -0.00060643 0.00226306 0.00670072 +N 6.37233220 7.15136532 6.46303204 0.00575448 0.00424561 0.00702833 0.01961984 0.01128504 0.03237882 -0.00278623 -0.00051368 0.00394920 +C 3.19253079 5.89451018 4.88362765 0.00636815 -0.00232304 -0.01017967 0.02447035 -0.01926271 -0.04629490 -0.00257933 -0.00395513 -0.00162357 +H 5.24623400 5.74299096 4.23347592 -0.01299765 -0.00303826 0.01769170 -0.00696156 -0.00034570 -0.00901952 0.00276071 0.00756467 -0.00400583 +C 7.48157070 7.00231912 5.69926009 0.00057894 -0.00090590 0.00493364 -0.00178859 -0.00949778 0.00703111 -0.00154572 -0.00260875 -0.00428491 +H 6.52958009 7.67928099 7.29105013 -0.01033210 -0.01312076 0.00190088 -0.03469773 -0.01191483 0.10651220 0.00331569 -0.00378747 0.00165763 +O 7.46336053 6.34618513 4.66056409 -0.00605612 -0.00478807 -0.00545958 -0.03459702 -0.02629196 -0.02349167 -0.00369047 -0.00200543 -0.00012959 +C 8.77410227 7.78853619 6.03921635 -0.00211537 0.00180707 0.00019113 -0.02097512 -0.00257628 -0.02269205 -0.00636011 0.00168983 -0.00633507 +H 9.67170043 7.10050932 5.95522212 0.00585288 -0.01803040 -0.02873052 -0.11017843 0.05197949 -0.08518139 -0.00042904 0.00752756 -0.00003802 +H 8.87298701 8.51585242 5.28142766 -0.01473309 0.02224311 -0.01018954 -0.07226200 0.08106897 0.00823828 -0.00634231 -0.01418248 0.02092057 +H 8.68997190 8.28795363 7.00414639 -0.00368923 0.00665273 -0.02024605 0.03917390 0.03333957 -0.01184801 0.01481556 -0.00633705 0.00891709 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95633553 5.71635436 5.77395491 0.00501210 0.00574791 0.00339300 0.04141270 0.05255938 0.01773939 0.00590105 0.00989829 0.00385634 +C 2.27092304 6.17184829 5.90046394 0.00153052 0.00452418 0.00197173 0.00576329 -0.00039452 0.00746613 0.00248041 -0.00550672 -0.00132819 +H 0.82726202 5.27729868 4.93308344 0.00607486 -0.00880181 -0.01480698 0.04160268 0.00733389 0.09198417 0.00029134 -0.01039199 0.00341640 +C 2.69612307 7.29507018 6.70132548 0.00060318 -0.00264983 -0.00501498 -0.02440615 -0.02843024 -0.03014499 -0.00630154 -0.00547400 -0.00338405 +H 2.90284940 4.40925253 4.82823948 0.00424901 -0.00162757 0.01078546 0.04441025 -0.04471070 0.00870436 0.01670058 0.01288746 -0.00031089 +C 4.03948832 7.57782576 6.87949447 -0.00797276 -0.00427962 0.00055799 -0.02924935 -0.03614645 -0.02127889 -0.00042175 -0.00616366 -0.00696615 +H 2.01314499 7.95302693 7.26530835 0.00615846 -0.00832880 0.00171750 -0.04999751 -0.10564316 -0.04872534 -0.02976015 -0.00790304 -0.00620388 +C 4.99926645 6.84554611 6.12867784 0.00338493 -0.00134343 0.00320777 0.01961117 -0.00110976 0.04301553 0.00179343 -0.00111742 0.00689878 +H 4.32637199 8.43227589 7.54940831 -0.00708049 -0.01053721 -0.02044963 -0.04473151 -0.02777711 -0.10838086 -0.00152437 0.01962311 0.00534181 +C 4.62666604 5.67716028 5.41332840 0.00601327 0.00046788 0.00304271 0.00521180 -0.00799523 0.01455697 -0.00170821 -0.00151876 0.00126202 +N 6.31061557 7.30225680 6.32800056 -0.00373886 0.00274844 0.00251082 0.02763517 -0.00739967 -0.00952390 0.00794523 -0.00279578 -0.00129317 +C 3.20962073 5.29429128 5.32926434 0.00073934 -0.00098220 -0.00678749 0.05331540 0.03215406 -0.03082004 0.01041564 0.00759079 -0.00207714 +H 5.37441643 5.05058131 4.97133973 0.00238208 -0.00785659 -0.00384421 -0.00433747 -0.01454990 -0.01822854 -0.00711082 0.00695758 0.00284099 +C 7.52632518 6.94893871 5.67197676 0.00159538 0.00104196 0.00233252 -0.05575538 -0.00444699 0.02395069 -0.01282031 -0.00358547 0.00173310 +H 6.53723567 7.92057234 7.06016112 0.00130935 -0.01774923 0.01336726 -0.10390850 -0.05205037 0.10257879 -0.02324717 -0.01171488 -0.00964670 +O 7.64921045 6.14551895 4.74945623 -0.00439421 -0.00423263 -0.00133367 -0.03751696 -0.02249452 -0.00116224 -0.00673026 -0.00144331 0.00194780 +C 8.72293002 7.62729176 6.19940979 -0.00237502 0.00119728 -0.00183350 -0.00842128 -0.00008843 -0.01551664 -0.00241215 0.00213772 -0.00457372 +H 8.51630223 8.64624138 5.86938502 -0.00577234 -0.01357610 0.01602897 0.06968180 0.07262806 0.14964618 0.02033999 0.02042682 0.02037288 +H 8.76983337 7.39450301 7.32528273 0.00386191 0.01808340 -0.01688615 0.07323797 0.18535183 -0.07934961 0.02287104 0.01732758 0.02839761 +H 9.62541742 7.16179630 5.72166341 -0.01096529 0.01226613 -0.02342178 -0.06750296 0.15862532 -0.12448577 0.01113162 0.01993953 -0.01784942 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99329649 5.62460335 5.95805508 -0.00086062 -0.00324687 -0.00317459 -0.00157155 -0.00864284 -0.03667029 0.00080072 0.00101732 -0.00728622 +C 2.32903511 5.92356593 5.94398320 -0.00229904 0.00817280 -0.00238664 0.00257073 0.05204541 -0.01124568 0.00169043 0.00430534 0.00118401 +H 0.54518889 6.22519161 5.42783145 -0.01029844 0.00908463 -0.00647050 -0.06994432 -0.03255887 -0.00216600 -0.00774186 -0.01805868 0.00571714 +C 3.09935689 5.42078313 6.98002400 -0.00152965 -0.00283475 0.00356725 -0.01257431 -0.01731264 0.01352017 -0.00095457 -0.00094592 -0.00071141 +H 2.39353423 7.02266975 4.05289401 -0.00149726 0.00794620 0.00510885 0.06737544 0.09434702 0.07276625 -0.00350112 0.02542745 -0.01548081 +C 4.44728884 5.75938593 7.05026353 0.00504705 0.00355631 0.00259295 0.02133993 0.02199865 0.03363765 0.00112776 0.00248666 0.00595272 +H 2.63615193 4.77289086 7.69141367 -0.01242680 -0.02292331 -0.00567649 -0.01154963 -0.09166058 -0.03897833 0.01082460 0.00270524 -0.00781805 +C 5.04318282 6.67694025 6.19962544 0.01111836 0.00295426 -0.00752396 0.07348188 -0.00766968 -0.04646804 0.00584740 -0.00676453 -0.00320395 +H 4.98299161 5.33290890 7.87551139 -0.00897680 -0.00571456 -0.00386355 0.03363206 -0.03860371 0.02463437 0.01277027 0.00186738 0.00275996 +C 4.38121288 7.09284185 5.04374835 -0.00507958 -0.00583593 0.00367444 -0.05029125 -0.01565327 0.00899225 -0.00883371 -0.00183054 0.00193802 +N 6.38047395 6.89101764 6.44347052 0.00209590 -0.00048195 0.00899862 0.02160038 0.00683941 0.05206293 0.00554820 0.00258335 0.00624085 +C 3.01031458 6.72121357 4.94628923 0.00275912 0.00101808 -0.00078475 -0.01721772 -0.00087704 -0.00616373 -0.00577669 -0.00116968 0.00150864 +H 4.82188816 7.83069570 4.27758232 -0.03479728 0.00042103 -0.02327439 -0.19749748 -0.17445297 -0.01248465 0.00700507 -0.00571389 -0.02278650 +C 7.36871463 7.30915102 5.64216320 0.00292658 -0.00159877 0.00452251 0.02249532 -0.00018997 0.04552602 0.00127897 0.00307046 0.00464055 +H 6.62733226 6.65660886 7.37853038 -0.01396330 0.00402554 0.00962752 0.00059769 0.00142078 0.08169202 0.00956400 0.00015624 -0.00111262 +O 7.28606117 7.76650340 4.53710269 -0.00384805 -0.00093789 -0.00104743 -0.03394869 -0.00759281 -0.01498973 -0.00544144 -0.00197064 -0.00117804 +C 8.74030333 7.22843648 6.29231304 -0.00093461 0.00375544 -0.00328721 -0.00507081 -0.00477845 -0.04319030 0.00224734 -0.00162594 -0.00503790 +H 9.50215555 7.43354588 5.55724119 0.00568274 -0.00764798 0.00940561 0.07611558 0.07486415 0.03187189 0.00229180 0.01762764 0.00095178 +H 8.76742499 7.81580385 7.16240950 0.01118359 -0.00897499 -0.01657174 0.12555566 -0.00253061 0.05567585 0.01254204 -0.01679604 -0.00350852 +H 8.92201793 6.15443407 6.44381442 -0.03238110 -0.01257333 -0.03078031 -0.17454130 0.00339666 -0.05227613 -0.00700205 0.00149925 0.01418139 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01064623 5.65254191 5.97396220 0.00065647 -0.00568171 0.00498190 0.02637475 -0.01662434 0.03500735 0.00626413 -0.00109317 0.00449308 +C 2.33435542 6.12128748 5.91397395 0.00200287 0.00239456 -0.00197641 -0.00886908 0.02372100 -0.01345407 -0.00445250 0.00201434 -0.00239775 +H 0.87163457 4.71727184 5.87381824 0.00605536 0.01886314 -0.01411194 0.06644743 -0.02086113 -0.12696117 0.01509987 0.00626898 -0.01474482 +C 2.64705108 7.52244149 6.13529904 -0.00501247 -0.00189197 -0.00426243 -0.04461503 -0.02418971 -0.02771057 -0.00632512 -0.00147802 -0.00250395 +H 3.17218438 4.22907968 5.29171182 0.01503034 0.02887788 0.00866292 0.03826161 -0.03585276 0.07297488 -0.00529358 -0.02621803 0.01130205 +C 3.96461061 7.98042170 6.09950669 -0.00227082 0.00751598 0.00403824 -0.02469609 0.01355079 0.04710906 -0.00502801 -0.00456132 0.00768510 +H 1.85845609 8.19412390 6.41154764 -0.00250568 0.00171628 -0.00115714 -0.04158117 -0.00197363 -0.03693294 -0.00739515 -0.00757882 -0.01179230 +C 4.98108305 7.00426764 5.94020905 -0.00801926 -0.00497639 -0.00355014 -0.02417980 -0.00536252 -0.02508953 0.00177927 0.00535679 -0.00220170 +H 4.12147977 8.94891080 6.55433344 -0.00576509 0.00922502 -0.00101614 0.03593924 0.08855348 -0.14067205 0.01047741 0.00641496 -0.03395878 +C 4.73549088 5.67586104 5.57293105 0.00063460 -0.00275191 0.00099010 -0.03049270 -0.02274493 0.01419115 -0.00780233 -0.00307693 0.00245409 +N 6.28112156 7.37572564 6.14461570 -0.00169860 0.00755392 0.00058746 -0.00503959 0.05705237 -0.00144042 0.00144517 0.00757550 -0.00131187 +C 3.39411056 5.24679564 5.61713254 -0.00183869 0.00276390 -0.00337671 -0.00874981 0.02468372 -0.03442528 -0.00188029 0.00273378 -0.00579165 +H 5.50738631 4.95832958 5.39126260 0.00462053 -0.00539223 0.00194736 -0.06047102 -0.06161743 -0.00417374 -0.01844089 -0.00648855 -0.00023297 +C 7.44349552 6.79184261 5.85164438 0.00007723 0.00424939 -0.00797303 0.01225422 0.01504487 -0.03820990 0.00279709 0.00024254 -0.00192318 +H 6.36301321 8.28026510 6.52889048 0.02774207 -0.00347174 0.02997900 0.12593018 -0.02152963 0.16127099 -0.00388292 -0.01429963 0.00577786 +O 7.59736086 5.63060741 5.42262266 0.00355299 -0.00694979 0.00186157 0.02948671 -0.02269669 0.01587471 0.00422774 0.00111260 0.00263419 +C 8.63383080 7.69412157 6.19575358 0.00861695 -0.00569715 0.00574182 0.03785317 -0.00958348 0.01831480 0.00305418 -0.00199767 0.00019738 +H 9.47942167 7.17269477 6.64880930 -0.02638350 0.01635868 -0.02164061 0.08573812 -0.12474175 -0.07683588 0.02904206 -0.03443819 -0.00908139 +H 8.96417935 8.25435615 5.28894503 -0.01037875 0.00607153 -0.00811077 -0.04212041 -0.07220534 0.03232956 0.00815169 -0.00797835 -0.00398427 +H 8.41214327 8.51746276 6.91579246 0.01760033 0.00412941 0.01221254 0.06547401 -0.09861912 0.03770742 -0.00158138 -0.01212503 0.01522182 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98526210 5.83847702 5.74645379 0.00253466 0.00324720 0.00023067 0.03271753 0.02204052 0.02091563 0.00559719 0.00264886 0.00653427 +C 2.34692548 6.08900571 5.99761905 0.00220103 -0.00009071 0.00703900 -0.00220293 -0.00345834 0.00062294 -0.00076713 0.00018643 -0.00945868 +H 0.69892813 5.87913855 4.81122166 -0.02078518 0.00502506 0.01819829 -0.08550604 0.06335059 0.08166192 -0.00313308 0.01465469 -0.00796913 +C 2.92653196 5.86520913 7.27927149 0.00048086 -0.00163147 -0.00297675 0.00285644 -0.01514504 -0.05068128 0.00086824 -0.00292399 -0.00848049 +H 2.63730104 6.56451860 3.91255037 0.00716346 -0.03043755 0.00700446 0.04336247 -0.15819042 -0.05456254 0.00928082 -0.01035273 -0.01401899 +C 4.28836897 6.13717708 7.37276611 -0.00399607 -0.00677550 0.00342051 0.01581964 -0.03758691 0.03113003 0.00528361 -0.00305355 0.00045336 +H 2.35986215 5.35677487 8.06327523 0.00486054 0.00151116 -0.03030503 -0.05163449 0.06900111 -0.02536194 -0.01498123 0.01776421 0.01682761 +C 5.11133397 6.52689131 6.25467846 -0.00090505 0.00462051 0.00213477 -0.01466877 0.03476005 0.01949363 -0.00334339 0.00485440 0.00376417 +H 4.80082816 6.02219787 8.36217859 -0.00370143 -0.00430284 0.03037088 -0.14336472 -0.02880636 0.00008209 -0.01098621 -0.00790568 0.01165503 +C 4.53338080 6.62062740 4.93630984 -0.00077611 0.00004813 0.00097212 -0.01330934 0.01092909 0.02577341 -0.00485731 0.00146766 0.01013986 +N 6.43641776 6.93933062 6.53606116 -0.00254943 0.00648639 -0.00152998 -0.02770190 0.04137772 -0.02796428 -0.00460640 0.00456701 -0.00673031 +C 3.13374220 6.43702212 4.86830949 0.00539994 0.00146613 -0.00587520 0.02226368 -0.00270700 -0.01528914 -0.00124536 -0.00332530 0.00203123 +H 5.07134779 6.99395523 3.99637541 0.00130581 -0.00275852 -0.01762557 -0.10972493 -0.12227723 0.07532781 0.00588200 -0.01088360 -0.01026617 +C 7.37706183 7.22086509 5.60933332 0.00250945 -0.00509224 -0.00538861 0.01054860 -0.03893641 -0.02667315 0.00002173 -0.00478735 -0.00018045 +H 6.64885936 7.15711612 7.51654228 -0.00713720 -0.02074769 -0.00259318 0.01062107 -0.14526719 -0.02338597 0.01232581 -0.01467344 0.00117210 +O 7.22239147 6.98822554 4.39498550 -0.00125916 -0.00275748 -0.00261214 0.00999356 -0.01330732 -0.01222526 0.00386322 -0.00126528 -0.00164482 +C 8.71228430 7.74027445 6.15166802 -0.00579141 0.00168715 0.00287902 -0.01163152 0.00338692 0.03436399 0.00089263 0.00027821 0.00312565 +H 8.54986432 8.23336715 7.15948098 0.01504440 0.00402795 0.00251431 0.04030940 -0.00270254 -0.03727378 -0.01114772 0.00272714 0.01973201 +H 9.37912418 6.88918345 6.41009330 0.02224226 -0.01567701 -0.00088260 -0.01178532 0.06722556 -0.10840358 -0.00289693 0.01142791 -0.02101143 +H 9.28549346 8.42163041 5.53328344 0.00664287 0.03418249 0.02610502 -0.10054491 0.12505579 0.11926282 -0.03299162 -0.00115505 0.00317840 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98077985 5.80314738 5.92300405 -0.00377708 -0.00516906 0.00611941 -0.01639234 -0.02679455 0.02604740 -0.00018795 -0.00334834 0.00262861 +C 2.34199575 5.97647005 5.97354799 -0.00006866 -0.00567556 -0.00381239 -0.01430071 -0.03554935 -0.00517226 -0.00385780 -0.00366874 0.00246538 +H 0.65547119 6.23518224 5.15398031 0.00484346 0.00026756 -0.02227687 0.01054837 -0.12029636 0.00362249 -0.01279638 -0.02198075 -0.00244918 +C 2.95449404 5.98427154 7.27821248 -0.00566542 0.00205059 0.00677807 -0.03900715 0.02457315 -0.01113656 -0.00713025 0.00408668 -0.00798046 +H 2.57152192 6.16397209 3.79574532 0.00942538 0.00672386 -0.00333326 0.04641906 0.06886575 -0.02317334 0.00673004 0.01224360 0.01075729 +C 4.33589052 6.23044018 7.33863969 -0.00768513 0.00070021 0.00076236 -0.05150113 0.00465449 0.01583508 -0.00755765 0.00077708 -0.00147604 +H 2.36185843 5.97221228 8.18284038 -0.00678621 0.01028756 -0.02535119 -0.11662284 -0.04044787 -0.01776059 -0.01107466 -0.01874965 0.00456976 +C 5.06945538 6.48009544 6.17382923 -0.00642984 -0.00171064 0.00051495 -0.02750468 0.01501951 -0.01025791 0.00180370 0.00625390 -0.00094322 +H 4.83735838 6.31520530 8.35368060 0.00349618 -0.00849786 0.00208575 -0.06506413 -0.06719587 -0.08163127 -0.00146900 -0.00658806 0.01955039 +C 4.41519775 6.49626185 4.87207253 0.00519535 0.00383463 -0.00402784 0.05347973 0.01330781 -0.00633245 0.00366699 -0.00086953 0.00570546 +N 6.38004193 6.87337431 6.42221843 0.00656032 0.00268403 0.00313988 0.04187307 0.00454021 -0.01457512 0.00380040 -0.00176026 -0.00646294 +C 3.05084423 6.22200971 4.74789720 0.00115182 0.00544649 -0.00040612 0.01258751 0.02903588 0.02436450 0.00337611 0.00279650 0.00536286 +H 5.09299065 6.62238042 3.93669053 0.00259696 -0.00933193 0.00037491 -0.07024785 0.01145053 0.04964171 0.01576442 0.01960659 -0.03245652 +C 7.39575875 7.29287113 5.60040672 0.00494922 -0.00175570 -0.00354379 0.03504150 -0.00671153 -0.01552135 0.00506452 0.00035033 -0.00147321 +H 6.70591088 6.60146640 7.34451020 0.01170235 0.01365835 -0.01046347 0.07304149 0.12948007 0.01980525 0.00266779 0.02179286 0.00677590 +O 7.37764956 7.61652955 4.40789850 -0.00055344 0.00202425 -0.00643871 -0.01479254 0.00676339 -0.03337211 -0.00325166 -0.00032269 -0.00229870 +C 8.72652946 7.36454020 6.32123827 0.00585506 -0.00149769 0.00528284 0.04543719 -0.00422378 0.02625429 0.00483937 -0.00133613 0.00593550 +H 9.56982441 6.86025491 5.84112127 -0.00398323 -0.01540790 -0.00790704 -0.08648719 -0.08637722 -0.07719350 -0.00999944 -0.00081186 -0.01180215 +H 9.09034963 8.35104647 6.44502117 -0.00108472 0.01861076 0.02468357 -0.06411755 0.04938948 0.15204929 -0.01318935 -0.02315119 0.01179986 +H 8.59852362 6.93254639 7.24174155 -0.01049392 -0.02028325 -0.01482235 0.01604640 -0.16791554 0.07855090 0.02270734 0.00039190 -0.01268869 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03016037 5.58720639 5.88299696 -0.00402350 -0.00040258 -0.00386805 -0.02066060 0.00238927 -0.03821843 -0.00198449 0.00033344 -0.00546736 +C 2.36945773 5.93502151 5.85187370 -0.00640629 -0.00171596 -0.00008992 -0.04708943 -0.00661309 0.02104208 -0.00455674 0.00052063 0.00499235 +H 0.54765317 5.92020393 5.10063086 0.00801780 -0.00971077 -0.01039201 0.03561138 -0.07491044 -0.07347688 -0.00805460 -0.00430965 -0.02896272 +C 3.08753273 5.51375574 6.99674486 0.00500852 0.00708395 -0.00133620 0.01935292 0.04244062 0.00497932 -0.00155100 0.00365850 0.00313829 +H 2.41042852 7.14976013 3.99689526 0.00818546 0.02288484 0.00875559 0.06608991 0.13697469 0.10479734 -0.00635520 0.01523930 -0.00295393 +C 4.41287873 5.88429596 7.24417646 0.00078212 -0.00296911 0.00494567 0.01314165 -0.00370570 0.01158423 0.00067768 0.00262891 -0.00304011 +H 2.61667145 4.97673466 7.79902245 0.01499016 0.01258356 -0.00110063 0.00425071 0.01065863 -0.01039596 -0.00922884 -0.00450490 -0.00456502 +C 5.06722374 6.61108466 6.23950898 -0.00500719 0.00530095 0.00530766 -0.02774124 0.03831120 0.04593175 0.00003771 0.00601944 0.00616240 +H 5.01934331 5.63422909 8.16627911 -0.00718110 0.01168505 -0.00121959 -0.13698139 -0.01832422 0.02334410 -0.00909125 -0.02226759 0.02941897 +C 4.32106877 7.06699466 5.13157682 0.00195930 0.00105694 0.00289203 -0.00021274 0.01109699 -0.00997565 -0.00267197 0.00122058 -0.00446570 +N 6.38527583 6.90258501 6.49034715 0.00069544 -0.00746571 -0.00028926 0.04980785 -0.03616625 -0.01558659 0.01061182 -0.00285203 -0.00407320 +C 2.95900797 6.82561242 4.92477127 -0.00128917 -0.00659381 -0.00524749 -0.00720077 -0.06906120 -0.01816336 0.00126043 -0.01196051 0.00221654 +H 4.73324601 7.58233416 4.27195580 -0.02387959 -0.01007597 -0.00507113 0.03700001 0.04503001 0.02199873 0.03038295 0.02151871 0.01195303 +C 7.40928677 7.30606711 5.65547340 0.00759492 0.01046607 0.00521702 -0.00673895 0.04805737 0.00283308 -0.00730035 0.00227659 -0.00268935 +H 6.76061538 6.68629603 7.41268812 0.02892312 -0.02411232 -0.01571129 0.07309095 -0.18078061 -0.08943340 -0.00272200 -0.02797629 -0.00099208 +O 7.23888134 7.52888576 4.42446088 -0.00486099 -0.00228177 0.00127517 -0.02614035 -0.01244550 0.03233585 -0.00278217 -0.00069504 0.00671059 +C 8.78119843 7.29549816 6.23771803 0.00690268 -0.00081281 -0.00468945 0.04608176 0.01192599 -0.01161154 0.00448703 0.00299917 0.00025637 +H 8.99606527 6.28159363 6.61213535 -0.00053752 0.01648281 -0.02316893 0.06410587 -0.03415099 -0.14233447 0.01680316 -0.02139189 -0.01633251 +H 9.58554879 7.62628912 5.54528095 -0.01237725 -0.00885688 -0.01158581 -0.05820005 -0.02089295 -0.10520044 0.00462275 0.00944147 -0.01928735 +H 8.76511176 7.94539914 7.10392793 0.00147579 -0.00533020 0.02126579 0.08973760 -0.06474754 0.02514897 0.02643451 -0.00811719 -0.00970607 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99611896 5.70164498 5.94494753 0.00564328 0.00272386 0.00298275 0.04153015 0.01454667 0.01766034 0.00501484 0.00239157 0.00085368 +C 2.33740194 5.92808211 5.90455264 -0.00062015 0.00129442 0.00417741 0.01444043 0.00816536 0.02549955 0.00408149 0.00112955 0.00139880 +H 0.58271336 6.26146028 5.28841544 0.04005432 -0.00306288 0.01119897 0.11443961 0.03665156 -0.03473802 -0.00140742 -0.00171720 -0.00311443 +C 3.10115824 5.54675183 7.04990775 -0.00282643 -0.00031377 -0.00695870 -0.02829839 0.01460363 -0.03069213 -0.00271761 0.00521578 -0.00280743 +H 2.51324023 6.79609040 3.91690093 -0.00829588 -0.01288299 0.00820810 -0.11423206 -0.02858974 -0.01938900 0.00061170 -0.00323704 0.02129385 +C 4.40554174 6.03090422 7.30367364 -0.00318520 -0.00215004 -0.00456143 -0.02410299 -0.01542691 -0.05653116 -0.00514004 -0.00352553 -0.00720539 +H 2.53677764 5.02296449 7.89400545 -0.00830491 0.01721863 -0.03286727 -0.05312089 0.05737613 -0.12003802 -0.02187133 -0.01736137 0.02841457 +C 5.07315881 6.62978528 6.17884987 0.00102352 0.00340954 0.00309723 -0.03867514 0.02043126 0.04210482 -0.00755819 0.00414083 0.00510196 +H 4.93714215 5.93545187 8.21709259 -0.01477296 0.00696167 0.01804251 -0.16888162 -0.04860863 0.03009598 -0.02833740 -0.01719411 -0.02369735 +C 4.33232688 6.96460538 5.02610221 -0.00633345 0.00221506 -0.00024027 -0.02178997 -0.00461912 -0.01064458 0.00178142 -0.00227919 -0.00371096 +N 6.33527332 6.94601884 6.45639686 0.00341796 -0.00438402 0.00050912 0.06527856 -0.01611477 -0.00179212 0.01032079 -0.00121576 0.00163331 +C 2.96823202 6.60957582 4.83035380 -0.00027282 -0.00636296 -0.00319030 0.00490932 -0.04995400 0.00715906 -0.00100170 -0.00677674 0.00173019 +H 4.92932811 7.30626736 4.23509468 -0.00772509 -0.00333790 0.00575762 -0.10159579 0.12387707 -0.08320080 -0.03037683 0.02306580 -0.00243536 +C 7.41001139 7.25535808 5.64142162 -0.00033536 -0.00115374 0.00071363 -0.01652211 -0.00631769 0.01060673 -0.00123313 -0.00011660 0.00107512 +H 6.55228107 6.91101743 7.41380923 0.00056957 0.00530991 0.00569266 0.05327002 0.00226036 0.02682628 0.01484325 -0.00468226 -0.01516613 +O 7.32567317 7.42346537 4.43957419 -0.00020685 0.00078939 0.00231136 -0.00618366 0.00506612 0.00789200 -0.00186207 0.00063720 0.00010950 +C 8.78152317 7.37484419 6.25839546 0.00232759 0.00266889 -0.00128288 0.00401358 -0.00798929 0.00851784 -0.00087701 -0.00066452 0.00065685 +H 8.61529677 7.22794687 7.36103635 0.00172541 0.01893749 0.00560930 0.10567927 0.17814689 -0.03311626 0.02232912 0.02167636 0.01254412 +H 9.33081122 6.47993048 5.94228422 -0.00732891 -0.02754107 -0.01224547 -0.02865022 0.03395303 -0.03816523 0.00818248 0.02197888 0.00139908 +H 9.27700364 8.28748898 6.04548072 -0.00789912 0.00823254 -0.00225119 -0.01166906 0.04738177 -0.06151798 -0.00652158 -0.01943310 -0.01240916 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01740055 5.89499299 5.74301720 -0.00401068 0.00289340 -0.00320046 -0.03204553 0.01737596 -0.02302300 -0.00558272 -0.00143238 -0.00255019 +C 2.34250631 6.13010109 5.87211463 -0.00445617 -0.00412045 -0.00202411 -0.02984827 -0.00649330 -0.01107288 -0.00169903 0.00307177 -0.00137995 +H 0.71133609 5.04184909 5.90566299 0.01798895 0.01619699 0.00195136 0.08486652 -0.05070950 0.03043418 0.01295253 0.01591121 -0.00422411 +C 2.70760310 7.45612580 5.88450011 -0.00360589 0.00357788 0.00102794 -0.03549748 0.02470991 -0.00171245 -0.00829160 0.00342147 -0.00159918 +H 3.00897670 4.15086368 5.76735531 0.00878125 0.03831034 0.02165117 0.04140215 -0.11399884 0.17965665 0.01620318 -0.02401833 0.02699967 +C 4.04212767 7.83630172 5.85812700 -0.00963419 -0.00084197 0.00256814 -0.03955831 0.01808654 0.02512265 0.00066168 0.00203583 0.00454747 +H 1.95771829 8.21689613 5.81049377 0.00391380 -0.01182183 -0.00046395 -0.07847020 0.02949334 -0.00598930 -0.01274366 0.00908321 -0.00021433 +C 5.03268394 6.88047500 6.00106190 0.00206126 0.00199918 -0.00172994 0.01004099 0.01289525 -0.00656777 -0.00155597 0.00047876 -0.00009900 +H 4.24852722 8.92872821 5.78567691 0.03707847 0.00228930 -0.00225671 0.14780297 -0.11496791 0.01288081 0.00134547 0.00533881 0.00402478 +C 4.68473896 5.53653756 6.04826705 -0.00167705 0.00440800 0.00316079 -0.00871942 -0.01096088 0.01157889 -0.00105416 -0.00300841 0.00033260 +N 6.31443364 7.37050337 6.08992524 0.00695661 -0.00768813 0.00281291 0.01060810 -0.01859976 0.01528537 -0.00244537 0.00252506 0.00183386 +C 3.30712541 5.15359672 5.94461890 0.00620874 -0.00365366 -0.00122598 0.04847886 -0.00404857 -0.01042355 0.00239294 -0.00105112 -0.00143645 +H 5.45956720 4.74124944 6.00853837 0.00334575 -0.02614228 0.00854295 -0.12005453 0.00620618 0.13165387 -0.00216372 -0.00089923 0.02719353 +C 7.45297816 6.83303369 5.89468241 0.00514277 0.00126239 0.00573982 0.04259608 -0.00455977 0.03677891 0.00437576 -0.00371447 0.00408283 +H 6.30725357 8.37157182 6.08229322 0.00138437 -0.00619767 0.00111743 0.08343205 -0.02182499 0.07911859 0.01761780 0.00012804 0.02034514 +O 7.55624461 5.64691648 5.67672422 0.00547787 0.00060005 -0.00140744 0.05932572 -0.00273248 -0.01231998 0.01130669 -0.00109917 -0.00189425 +C 8.60237805 7.83699355 5.98513029 -0.00930303 0.00363906 -0.00287027 -0.04541507 0.00771574 -0.04054214 -0.00202395 -0.00011852 -0.00680010 +H 9.46549856 7.42762421 5.46218088 -0.01547541 -0.01218756 -0.01644744 -0.10532198 -0.06007912 -0.04931047 -0.00984081 -0.00362753 -0.00498586 +H 8.40134245 8.77731086 5.50932116 0.00229006 0.00368306 -0.00978258 -0.04880404 0.03823542 -0.05223143 -0.01330013 -0.00435586 0.00329534 +H 8.80750405 8.03816572 7.03047531 0.00261276 -0.02746172 -0.02562841 0.10493060 -0.13130662 -0.01532600 0.01878377 -0.00575710 0.00064804 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01269782 5.63183881 5.67779226 -0.00653510 -0.00366818 0.00376469 -0.03332073 -0.02398179 0.03190194 -0.00155398 -0.00212004 0.00368640 +C 2.33037694 5.98753446 5.71845577 0.00257017 0.00207126 -0.00061168 -0.00769547 0.03508330 -0.00368251 -0.00421120 0.00708178 0.00046168 +H 0.68211317 5.34201696 6.55339114 0.00019991 -0.03023431 -0.00362448 0.02136084 -0.23560194 -0.07495909 -0.00021107 -0.04499612 0.00409864 +C 2.70158883 7.13262542 4.99968598 0.00955000 0.00236865 -0.00411781 0.03764279 0.02456940 -0.04011973 0.00018079 0.00238904 -0.00585943 +H 2.93570967 4.63772860 7.26120937 0.02849903 -0.01495713 -0.01650210 0.15450096 -0.07101009 -0.06287168 0.01086654 0.00437044 -0.00302453 +C 4.03037190 7.55625657 4.96500595 0.00451934 -0.00082465 -0.00342399 0.03041055 0.01858176 -0.02318815 0.00228068 0.00774854 -0.00417370 +H 2.02219084 7.78152555 4.48402412 -0.02632881 0.01967414 -0.00625064 -0.04886721 -0.08911927 0.02087135 0.00864610 -0.02888904 0.00162510 +C 5.03959795 6.90874519 5.69969427 -0.00793878 0.00117899 -0.00176087 -0.04722237 0.00554340 0.00036977 -0.00144238 0.00067215 0.00199592 +H 4.27567528 8.46163092 4.47695753 -0.01696679 0.02496235 0.01734041 -0.06446896 0.08506249 0.02126382 0.00464385 -0.01253761 -0.00704098 +C 4.58277567 5.89708890 6.61029163 0.00294268 0.00126932 -0.00163287 0.01507913 0.00375954 -0.01730786 0.00037865 -0.00091832 -0.00163674 +N 6.34650118 7.34845165 5.50232050 -0.00307230 -0.00185966 0.00309139 -0.01148891 -0.03542273 0.02378780 -0.00093291 -0.00835778 0.00391781 +C 3.23205384 5.45263777 6.62945596 0.00289133 0.00551471 0.00132295 0.03676333 0.02407383 -0.00022174 0.00614885 0.00065034 -0.00235653 +H 5.31137611 5.36985668 7.20838878 -0.03012472 -0.00468790 0.01383911 -0.11598629 -0.02204746 0.12241520 0.00323309 0.00634971 0.00771196 +C 7.46789823 6.94298462 6.12732340 0.00009887 -0.00850318 -0.00009760 -0.01078647 -0.04442605 0.01726496 -0.00216312 -0.00236565 0.00240879 +H 6.53472140 7.87503505 4.63070013 0.00888254 -0.02249653 0.01733426 0.02297615 -0.03000891 0.04352016 -0.00290010 0.01586757 -0.00916488 +O 7.46841762 6.29257196 7.18125011 0.00324523 0.00527998 -0.00198953 0.01777946 0.02641872 -0.00930495 0.00153327 0.00100704 0.00118523 +C 8.79583551 7.44214452 5.66982200 0.00027192 -0.00224788 0.00189373 0.00674725 -0.02113242 0.00142048 -0.00196828 -0.00094644 -0.00273985 +H 8.90784407 8.50022434 5.87302609 -0.01837247 -0.01458849 0.02725255 -0.10946751 -0.02090945 0.12347302 -0.01115845 -0.00263272 0.00620432 +H 9.60204964 6.91138653 6.27184579 -0.00776766 0.00669338 0.00212272 -0.02652153 0.04403335 -0.01911872 0.02595051 -0.01136039 0.00061893 +H 9.02775847 7.13803971 4.66177933 -0.02072183 0.02603684 -0.02221801 -0.15333632 0.24440121 -0.08374953 -0.01629370 0.03710162 0.00900216 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.07765630 5.66877503 5.81278156 0.00310347 -0.00258927 -0.00589177 0.01576756 -0.01559076 -0.03851703 -0.00061812 0.00013265 -0.00389017 +C 2.34326306 6.12893078 5.90759792 0.00265502 0.00922505 -0.00398186 -0.00577073 0.03066163 -0.04749998 -0.00283585 -0.00005084 -0.00906010 +H 0.39221551 6.24897677 6.00364050 0.01858655 -0.01755480 0.03110970 0.07105528 -0.04423347 0.23693469 0.02941046 -0.02473434 0.01925028 +C 2.63443043 7.42982084 6.27797573 -0.00536743 0.00335582 0.00384390 -0.01739345 0.03856645 0.01917401 -0.00370502 0.00800199 0.00182346 +H 2.93563086 4.26974284 4.95857245 0.00026975 -0.02591465 0.03890656 0.11549039 -0.01677333 0.31781231 0.02112951 -0.00364846 0.03420172 +C 3.96667159 7.87486012 6.29198271 -0.00183954 -0.00204627 0.00301640 -0.00073159 -0.01747938 0.02856726 -0.00134787 -0.00319671 0.00426648 +H 1.93490155 8.17988579 6.40174661 -0.00881782 -0.01691411 -0.00557778 -0.20986528 -0.04352661 0.09767928 -0.00534806 -0.01934250 0.02369975 +C 5.00470220 6.92431824 5.95594767 -0.00495871 0.00555787 0.00023716 -0.04413771 0.03966305 -0.00776523 -0.00393788 0.00190854 -0.00362456 +H 4.23404808 8.90142700 6.63348096 0.00353078 0.01584141 -0.00076013 -0.04657210 -0.05572332 -0.09269215 -0.00491899 0.00295284 -0.01022834 +C 4.63167614 5.63811912 5.49896078 0.00271344 -0.00700162 -0.00203640 0.02171809 -0.02850335 -0.01124561 0.00620067 0.00161931 -0.00053869 +N 6.28715059 7.43828981 5.90801025 -0.00249121 -0.00254828 0.00102875 0.00742275 0.00112211 0.01093442 0.00141790 -0.00191388 0.00232861 +C 3.27615263 5.23168223 5.40017588 0.00467085 0.00393083 0.00433289 0.04303526 0.02292913 0.04270652 0.00684178 0.00326240 0.00869878 +H 5.33695885 4.92503648 5.14768245 0.01119408 0.01623584 0.00384046 0.15430001 0.03322334 0.00679869 0.00750115 0.00146691 0.00592024 +C 7.49278025 6.84010031 5.98203260 -0.00228461 -0.00562240 0.00343783 -0.02938246 -0.02428910 0.01081570 -0.00420252 0.00030268 -0.00029253 +H 6.45466165 8.48750454 5.86808909 0.02419679 0.01031066 -0.01792701 -0.02920930 -0.10837790 -0.10237168 -0.01816814 0.02586680 -0.01532095 +O 7.60031561 5.63159393 6.09068517 -0.00076936 0.00090060 -0.00339280 0.00154515 -0.00826076 -0.01949389 0.00098781 -0.00382937 -0.00201982 +C 8.72171247 7.73389206 5.82697476 -0.00060981 -0.00079257 -0.00034766 -0.00933240 -0.00615976 -0.00238236 0.00133039 -0.00277420 0.00003548 +H 9.27449836 7.72183491 6.69313569 0.01358903 0.00769203 0.00437562 0.09750325 0.02939243 0.04314624 -0.01043424 -0.00344285 -0.02911474 +H 9.34343480 7.43183765 5.05489569 -0.01450100 -0.00924684 -0.02023470 -0.08148917 -0.09605207 -0.12915061 -0.02616427 -0.00266838 0.01611522 +H 8.42493907 8.76393124 5.60124862 0.00934793 0.00304024 -0.00197355 0.05124982 0.00505692 0.00493540 0.00115747 0.00070645 0.00133256 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00475623 5.87529001 6.06976806 -0.00087086 -0.00131754 0.00256079 0.00681949 -0.01566689 0.00988980 0.00129332 -0.00489803 0.00026857 +C 2.37610135 6.13937062 5.90677893 -0.00030748 -0.00287301 -0.00518658 -0.05589759 -0.02128445 -0.02569482 -0.01137786 -0.00034735 -0.00173503 +H 0.65601655 5.03263941 6.10656236 0.01133850 -0.01608585 -0.00652983 0.17166210 -0.08087393 -0.05843264 0.03616973 0.01059588 -0.00923760 +C 2.69133796 7.46875046 6.01479134 -0.00003754 0.00428513 0.00280100 0.00648019 0.01089234 0.01310597 -0.00034123 -0.00133053 0.00046098 +H 3.13247709 4.10515568 5.28874400 0.01392914 0.01833009 -0.01562829 -0.03040520 0.05880900 0.05574677 -0.02246021 -0.02823872 0.02217079 +C 4.03105337 7.85030798 5.92954230 -0.00033419 -0.00531110 -0.00023191 -0.01995210 0.01139782 0.01313609 -0.00342358 0.00593549 0.00332984 +H 1.83399533 8.13212343 6.18288674 0.02499720 -0.00530126 -0.01393509 0.10530972 0.15818456 -0.06590513 0.00495259 0.03620326 -0.00279677 +C 5.02716467 6.89668471 5.89084858 -0.00594013 0.00098974 -0.00276493 -0.01531697 0.00605866 -0.01713889 -0.00015705 0.00149372 -0.00193991 +H 4.19763315 8.90698310 6.05282674 0.01025055 0.02843527 -0.00299015 0.08418968 -0.04968631 -0.06016213 0.01045161 -0.01858806 -0.00997986 +C 4.71166157 5.52119349 5.74621993 -0.00225196 0.00412577 0.00140915 -0.05192164 0.02580089 0.00119072 -0.00811456 0.00159543 -0.00127395 +N 6.29983935 7.41661807 6.04561816 -0.00398593 0.00587758 -0.00044264 -0.03732898 0.02323847 -0.01047884 -0.00435729 0.00042047 -0.00227748 +C 3.33142854 5.15009704 5.65823520 -0.00444817 0.00009119 0.00358432 0.00357191 0.00673215 0.01437065 0.00233484 0.00367380 0.00113335 +H 5.40704070 4.71944812 5.62091093 -0.02554235 0.01050467 0.00002125 0.02151493 0.03097754 -0.00152611 0.01229931 0.01368065 0.00221278 +C 7.44410228 6.82940932 5.85455599 0.00476175 0.00107255 0.00576337 0.02806356 -0.00443898 0.03731038 0.00134764 -0.00441937 0.00337856 +H 6.39328928 8.38422344 6.30099313 -0.01226869 -0.00119462 0.00100282 -0.11569349 0.03196865 0.03862600 -0.01718469 -0.00037083 0.00592599 +O 7.62225366 5.71096997 5.41183319 0.00900811 -0.00702207 -0.00437095 0.06605721 -0.03932827 -0.02519376 0.00926347 -0.00222779 -0.00182025 +C 8.53532126 7.74108833 6.33085568 0.00021935 -0.00208097 0.00189855 0.02400699 -0.01805543 0.00419237 0.00586897 0.00076534 -0.00198001 +H 9.45378277 7.52345869 5.78117021 0.00443573 0.01687904 -0.00388627 0.02883784 0.08182977 0.00604186 0.00631497 0.00375024 -0.00039723 +H 8.26768800 8.73712806 6.08737552 -0.01490106 -0.01550147 0.00182451 -0.05742573 0.03283167 0.04169146 0.00748306 -0.00324584 0.01379040 +H 8.66779776 7.59786467 7.44150334 0.01335105 0.01106046 -0.01165981 0.11878404 0.08213250 -0.04982124 0.02014867 0.00569472 0.01821693 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03335711 5.74163156 5.68000942 -0.00392860 -0.00129328 0.00092216 -0.02532619 -0.02314060 0.00682020 -0.00281771 -0.00171246 0.00102587 +C 2.31068125 6.12017459 5.83793689 -0.00205901 0.00352521 -0.00274031 0.00303725 0.02649208 -0.00805732 0.00074985 0.00373369 0.00047790 +H 1.10566633 4.78330695 5.68786730 -0.01501091 -0.02429535 0.00870480 -0.22222455 0.02247883 0.03331207 -0.04069115 -0.01323939 0.00271103 +C 2.64624528 7.46557401 6.13155191 -0.00088823 0.00239353 -0.00158775 -0.00384028 0.02631346 -0.02007144 -0.00041557 0.00283236 -0.00422909 +H 3.14415670 4.15119747 5.52289539 0.00533488 0.02346714 -0.00249388 -0.01121100 -0.03295006 -0.00425724 -0.00420341 0.00797201 0.01124399 +C 3.99174105 7.92551177 6.29391074 -0.00938897 0.00431105 0.00028898 -0.02552543 -0.05656084 -0.00896482 0.00368646 -0.01596065 -0.00196580 +H 1.84745400 8.24534792 6.13419944 0.02848694 -0.00471853 -0.00345577 0.03610096 0.02758504 0.02534296 -0.02808224 0.02199687 0.00910861 +C 5.01791699 6.89969692 6.15566308 0.00734266 -0.01119421 -0.00027261 0.01684387 -0.00267521 0.01449461 -0.00226393 0.00957494 0.00426086 +H 4.29648211 8.94730679 6.49277506 -0.00942831 -0.03278492 -0.00569966 -0.10200166 0.01565723 -0.00052808 -0.02057881 0.00929492 0.00142038 +C 4.62447735 5.57900675 5.90667129 0.00320259 0.00215531 -0.00580767 0.08202211 -0.01924785 -0.03609784 0.01515573 -0.00570337 -0.00427576 +N 6.35253020 7.30445516 6.35868644 0.00416341 0.00455155 0.00520086 -0.00021759 0.03139782 0.03550005 -0.00263079 0.00453336 0.00504544 +C 3.34019158 5.14772980 5.76734084 0.00236201 0.00328267 0.00403748 -0.00885078 0.04644597 0.01704087 -0.00186252 0.00537405 -0.00035000 +H 5.41775015 4.86865739 5.86869663 0.04198653 -0.01715617 -0.01282633 0.02860067 -0.01277628 -0.10624861 -0.01753046 0.00004065 -0.01676862 +C 7.46597661 6.88370856 5.79259635 -0.00035349 0.00107745 0.00585617 -0.00931982 -0.01957454 0.00767845 -0.00247128 -0.00567967 -0.00297160 +H 6.36413341 8.16109552 6.86890298 0.01360984 -0.00694874 0.01091800 0.16526654 0.00116893 0.10744785 0.02092072 -0.00671014 0.00921270 +O 7.50487009 5.90613176 5.03469993 -0.00059788 -0.00227939 -0.00104955 -0.00158352 -0.00605806 0.00020284 0.00005204 0.00033295 0.00098855 +C 8.70659203 7.65582777 6.07714142 -0.00544774 -0.00201552 -0.00745844 -0.01712156 0.00652725 -0.01369658 0.00177768 0.00252294 0.00289367 +H 9.24159115 6.97878455 6.72104251 0.00427145 -0.00010852 0.00236929 0.09888623 0.06200200 -0.05130117 0.01351127 0.01785618 -0.01500876 +H 9.27089302 8.06194051 5.22617608 0.00856724 -0.00118931 0.02324831 0.07024006 -0.12471464 -0.01568173 0.00331084 -0.02825179 -0.02534354 +H 8.55555308 8.56315788 6.65602361 -0.00150664 0.01506462 0.00054861 -0.07732887 -0.02330022 -0.02479168 -0.01726992 -0.01066847 -0.00526096 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01401404 5.60428708 5.90050293 0.00072957 0.00272883 -0.00691588 -0.00852452 0.01530080 -0.04194423 -0.00257663 0.00198036 -0.00663702 +C 2.33023194 5.96636942 5.76335231 -0.00560551 -0.00343002 0.00339009 -0.02996513 -0.01495265 -0.00054974 -0.00107227 0.00047484 -0.00260329 +H 0.63467798 5.28806308 6.72051832 0.00815673 0.00829456 0.02476356 0.19394918 0.15027017 0.02127571 0.02565636 0.02170634 0.01467879 +C 2.93118631 6.05634767 4.47322239 -0.00484384 0.00448555 -0.00037744 -0.01848101 0.03543043 0.02771496 -0.00056707 0.00329326 0.00543342 +H 2.62897209 6.49593617 7.86390147 -0.02208020 0.00332395 -0.01354989 -0.15882328 -0.01400043 -0.05222090 -0.01805838 -0.00618902 0.01057885 +C 4.33115167 6.31307077 4.41521740 0.00126000 -0.00134184 0.00505704 -0.00428145 0.00325300 0.01190856 -0.00366801 0.00249342 -0.00200789 +H 2.29363371 6.22148420 3.61635868 0.00944029 -0.03549063 -0.00109128 0.06300849 -0.39125217 -0.06152441 0.01780809 -0.05861861 0.00680243 +C 5.13205361 6.61976111 5.52168039 0.00239398 -0.00232494 -0.00058583 -0.01049992 -0.01101349 0.02108399 -0.00427694 -0.00029603 0.00552338 +H 4.83007558 6.49490746 3.47794635 -0.01680196 0.00500328 0.01200679 -0.10628844 -0.04340523 -0.06541398 -0.00991177 -0.01987321 -0.01797611 +C 4.41472128 6.68894747 6.74043368 -0.00071358 0.00089095 0.00434308 0.00192114 0.00307144 0.02635583 -0.00016960 -0.00053287 0.00364835 +N 6.45274185 7.01539879 5.37136102 0.00289974 -0.00131413 -0.00545727 0.00295511 -0.01712364 -0.02881455 -0.00177090 -0.00363015 -0.00119424 +C 3.05966726 6.39574585 6.85860229 -0.00238461 -0.00342227 0.00502708 -0.01871567 -0.03203996 0.03971712 -0.00335289 -0.00566036 0.00379595 +H 4.90685647 7.01277875 7.67637252 -0.02177599 -0.00899565 -0.01549343 -0.02106650 0.00207697 0.03276368 0.01902266 0.01126935 0.02588399 +C 7.38032487 7.17863594 6.32110962 -0.00126150 0.00182476 -0.00007548 0.01567242 0.01736004 -0.01606527 0.00612058 0.00289038 -0.00531002 +H 6.70976103 7.17618203 4.39297332 -0.00915844 -0.00593645 -0.00459298 0.04246475 -0.07677718 -0.01322121 0.02001323 -0.01455674 -0.00820677 +O 7.24478695 7.26348408 7.53192448 0.00109216 0.00029999 -0.00449491 -0.00398948 -0.00236091 -0.02242777 -0.00226352 -0.00088228 -0.00172192 +C 8.76062299 7.32372306 5.78598156 0.00757632 0.00068834 0.00348936 0.07202012 0.02987826 0.01766731 0.01076732 0.00417515 0.00094092 +H 8.70547566 7.61697641 4.72134322 -0.01045953 0.02532421 0.02798439 -0.02025001 0.16920130 0.08517107 0.00917949 0.02282296 -0.00850542 +H 9.34111795 8.15590548 6.26219645 0.02577602 0.00320592 0.00241044 0.05038125 -0.06531715 0.04635528 0.00701797 -0.00094716 0.02570892 +H 9.39996597 6.47379058 5.84432246 0.01033691 0.00679019 -0.01699787 0.02278105 -0.06746272 -0.09428413 -0.01435152 -0.00407562 -0.01195207 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01208869 5.76476526 5.92941969 -0.00918884 -0.00055866 0.00759273 -0.05769102 0.00434580 0.04477913 -0.00522895 0.00045955 0.00588750 +C 2.31469178 6.07994125 5.78383052 0.00113936 -0.00011198 -0.00198730 0.01456887 -0.01528803 -0.00167230 -0.00075125 -0.00307228 0.00120503 +H 0.78711389 5.08111053 6.55777936 0.00494715 -0.00428524 -0.02437320 0.04379322 -0.15391676 -0.09434306 0.00767108 -0.01607412 -0.01770494 +C 2.67176732 7.35930141 5.37995142 0.00503244 0.00423207 -0.00563741 -0.00530328 0.00906643 -0.03579469 -0.00668640 -0.00076495 -0.00461015 +H 3.12715954 4.21859893 6.57374942 0.01178509 -0.00554797 -0.00828102 0.03526987 -0.09634017 -0.10380981 -0.00318626 -0.00658299 -0.02079312 +C 3.95205885 7.78415798 5.29684528 0.00035878 0.00163649 -0.00084290 0.03839918 0.02570950 0.00333636 0.00776071 0.00605474 0.00123537 +H 1.87581865 8.02924129 5.19279604 0.00835775 -0.02597701 0.00024978 -0.06747335 0.02188154 -0.08410964 -0.00250927 0.01306430 -0.01608392 +C 4.99271273 6.92463925 5.71660812 0.00219171 0.00144201 -0.00874731 0.01788609 0.00157179 -0.05864052 0.00201476 -0.00268682 -0.00654970 +H 4.16616182 8.79355309 5.03734037 -0.00609461 0.01656675 0.01682120 -0.03454952 0.06389941 0.06016635 0.00075323 -0.00535185 -0.00000103 +C 4.68942155 5.59503170 6.10293458 0.00217164 -0.00165232 0.00566546 0.01326208 0.00170937 0.02210131 0.00052306 0.00239988 0.00011793 +N 6.30632950 7.43648230 5.59182814 -0.00623683 -0.00383838 0.00221119 -0.01818355 -0.02409382 -0.00831619 0.00321625 -0.00284222 -0.00357520 +C 3.35572374 5.17272803 6.14720799 -0.00187741 -0.00395377 -0.00013284 -0.01522309 -0.01613571 0.00458823 -0.00019101 -0.00184227 0.00147800 +H 5.48655432 4.89640490 6.29087193 0.00983263 0.00595460 -0.00051972 0.00621793 -0.00380876 0.07484143 -0.01042358 -0.00416734 0.01882385 +C 7.46228205 6.90167696 6.10135265 0.00407943 0.00863909 -0.00303236 0.00412484 0.08207889 -0.01383326 -0.00351856 0.00797397 0.00356403 +H 6.31779157 8.17690098 4.87018693 0.01662429 -0.00143917 -0.01323208 0.16762424 -0.05540840 0.07287553 0.02028155 0.01233135 0.00594448 +O 7.41348745 6.06110546 6.90263452 0.00005232 -0.00201049 -0.00104009 0.00964929 -0.03281225 0.00775759 0.00283725 -0.00440278 0.00087563 +C 8.84393130 7.53149587 5.80061988 0.00462905 -0.00167669 0.00443828 0.02264706 -0.00711176 0.02142599 0.00181155 0.00239242 0.00244316 +H 9.66160954 7.10024784 6.36001090 -0.00817265 -0.02231583 -0.01305394 -0.05705754 -0.18494916 0.04830043 -0.01426530 -0.01637288 0.01353583 +H 9.16020192 7.17094652 4.80582977 -0.01077125 0.00402462 0.00659271 -0.09299524 0.17459952 -0.04840039 -0.01083337 0.03920946 -0.02045303 +H 8.94078770 8.54613214 5.99453990 -0.00603328 0.02519712 0.02351598 -0.06235883 0.04834216 0.05310850 -0.00569298 -0.03854833 -0.00763065 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98913592 5.81800065 6.00021061 -0.00229583 0.00322153 0.00012741 -0.01487882 0.01471393 -0.00108800 -0.00081387 0.00347158 0.00007455 +C 2.31895512 6.13037834 5.90343509 0.00306825 -0.00059444 0.00299321 -0.00284694 -0.01671090 0.01443640 -0.00309372 -0.00452021 0.00046503 +H 0.70813245 4.89703451 5.86683516 -0.00821932 -0.01071002 -0.00775316 0.04446503 0.05455515 -0.05912727 0.00585453 -0.01696881 -0.01632758 +C 2.71098624 7.37965707 6.39254260 0.00058828 -0.00031111 -0.00339716 -0.00334617 0.00968068 -0.01988824 -0.00572346 0.00499903 0.00012568 +H 2.93471062 4.24563999 4.93722057 0.01590772 0.00027182 0.01738572 0.09190492 -0.06493038 0.12754837 0.00354931 -0.03377498 0.00763515 +C 4.03647219 7.80897252 6.37242548 -0.00057915 0.00425581 0.00267597 -0.00280700 0.00899687 0.01629320 -0.00038099 -0.00314708 0.00123763 +H 2.03497088 8.04154886 6.73794109 -0.01182183 -0.01502553 0.01209395 -0.14528482 -0.04953209 0.10114865 0.01497480 -0.02664500 -0.00734368 +C 5.00981887 6.87987206 5.94699799 -0.00062655 -0.00029683 -0.00544118 -0.01860256 0.02388898 -0.02984864 -0.00214632 0.00837537 -0.00207179 +H 4.24728912 8.81656991 6.78209577 0.00282106 -0.00267548 0.01699932 0.05397217 -0.07009802 0.06555486 0.01285071 0.00142519 0.00849712 +C 4.61542082 5.61115656 5.42796684 0.00545727 0.01367853 0.00233663 0.02783635 0.04786460 0.01715887 -0.00200966 -0.00038846 0.00075207 +N 6.26808332 7.32445138 6.11291699 0.00267254 -0.00305995 -0.00374616 0.03155220 -0.01816157 -0.02838119 0.00311037 0.00012506 -0.00315496 +C 3.24803725 5.24138450 5.36221020 -0.00209576 -0.01046043 0.00118308 0.02065645 -0.04420518 0.01919232 0.00912705 0.00098708 0.00618160 +H 5.40740743 4.82987057 5.33756660 0.01494080 0.00475900 -0.01710072 -0.02160133 0.17763160 -0.23857666 0.00627878 0.02082921 -0.04738948 +C 7.49178400 6.88142299 5.82899786 -0.00149190 -0.00291389 0.00213120 -0.01630340 -0.05574788 0.00947432 -0.00103800 -0.00891218 0.00109652 +H 6.37074194 8.24327241 6.50260641 0.00023115 -0.03290828 -0.01335585 -0.04278960 0.01829134 0.02488858 -0.00633048 0.00773455 0.00553775 +O 7.73762557 5.76456141 5.34216921 0.00178183 0.00367862 0.00072301 0.00984957 0.02358370 0.00292389 0.00125085 0.00084618 -0.00072092 +C 8.59594142 7.77130767 6.19581650 -0.00518213 -0.00163417 -0.00095962 -0.02667869 0.01387603 -0.00653273 -0.00391843 0.00459870 -0.00023745 +H 8.43914025 8.63964365 5.60110134 0.00109631 0.00349258 -0.01956291 0.11556644 -0.00526730 -0.10475719 0.02851716 -0.01151916 0.00496760 +H 8.59925387 8.18257716 7.20003430 -0.00834913 -0.03331544 0.00234328 -0.11952630 -0.22548373 0.08450269 -0.02330366 -0.01939110 0.00659630 +H 9.59964513 7.30011275 6.01276654 -0.02531849 -0.00142383 0.02937122 -0.07208901 -0.04341724 0.12234227 0.01687944 -0.01569813 0.00197152 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00968200 5.70041083 5.82713830 -0.00219477 0.00209432 -0.00017781 -0.01487431 0.02297061 -0.00056253 -0.00285939 0.00322464 -0.00005582 +C 2.29950658 6.15553316 5.90595865 -0.00242069 -0.00732167 -0.00985525 -0.01849328 -0.04648223 -0.06184221 -0.00122506 -0.00144027 -0.00593403 +H 0.45153628 6.48195487 5.66861245 -0.00384771 -0.01072848 0.01983030 -0.12174959 -0.05158159 0.15628035 -0.02735954 0.00319012 0.02344629 +C 2.66951370 7.45282596 6.21772733 0.00405173 0.00076313 0.00922666 0.04375663 -0.00846358 0.04799427 0.00242281 -0.00303316 0.00338898 +H 2.93169538 4.24992075 5.20985459 -0.00677436 -0.01845084 0.00351857 0.03463199 -0.08309356 0.16776321 0.01148720 -0.01514124 0.03596534 +C 4.03154345 7.83824730 6.16712763 0.00635829 -0.00120246 -0.00598727 0.00096219 0.01798200 -0.01745672 -0.00483232 0.00418157 0.00063362 +H 2.01491946 8.20409779 6.54369737 0.02409766 -0.01558481 -0.02055164 -0.08859299 0.04528489 -0.04905494 -0.01049343 -0.00621883 0.00000191 +C 4.98455453 6.91516198 5.81333875 -0.00337092 0.00998458 -0.00399068 0.00158410 0.01518803 -0.02043507 0.00356761 -0.00485854 -0.00160999 +H 4.28289014 8.83898540 6.52845159 0.00527791 0.00988367 0.02323275 0.02508663 -0.05128425 0.00135555 0.00516167 0.00046070 -0.01573518 +C 4.61993622 5.52686806 5.58349509 -0.00179775 -0.00115664 0.00263225 -0.00590868 0.03473914 0.02406062 0.00020184 0.00703321 0.00347962 +N 6.25932151 7.43179315 5.95171965 -0.00142940 -0.00435365 -0.00084903 0.00336919 -0.00854137 -0.00478141 0.00245282 -0.00192718 -0.00162838 +C 3.27254389 5.20361694 5.59898265 -0.00316042 -0.00296033 0.00377240 -0.02417957 -0.04010229 0.00448975 -0.00148625 -0.00733723 -0.00188278 +H 5.32718964 4.75675320 5.40678927 -0.01968244 -0.00325502 0.02020271 0.00390014 -0.04031217 0.07317508 0.00478385 0.01542415 0.00514852 +C 7.46104053 6.87040409 5.94553737 0.00025542 0.00573755 -0.00282509 0.02550621 -0.00182080 -0.02627780 0.00559753 -0.00442941 -0.00414391 +H 6.36344846 8.44675858 6.19193820 0.00127531 0.01100230 0.00910151 -0.08374683 -0.08281848 -0.03391275 -0.01594822 0.01928504 -0.00563514 +O 7.72886730 5.65789965 5.90357507 0.00012438 0.00184235 -0.00050534 -0.01405405 0.01989135 -0.00627110 -0.00366664 0.00280060 -0.00145460 +C 8.67652928 7.77041544 5.98371093 0.00138607 -0.00385142 0.00285916 0.02455495 0.00200389 0.02970341 0.00473383 0.00641930 0.00627731 +H 9.42263735 7.32977725 6.65230686 0.01254245 -0.01099436 -0.00550349 0.02712173 -0.06055848 -0.03585396 -0.00210500 -0.00643503 0.00035138 +H 9.18586161 7.91751646 5.03318639 0.02552772 0.01339346 0.00517153 0.03615234 0.03476909 0.05281540 -0.01421551 -0.00241326 0.00547484 +H 8.44617651 8.69306822 6.37768983 -0.00120388 0.02283541 0.01730083 0.01016583 0.04917507 0.07783451 0.01118316 -0.03572249 -0.00490517 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95677564 5.69866981 5.79742355 -0.00235587 0.00260840 0.00212874 -0.01458546 0.02292614 0.00941104 -0.00183905 0.00101505 0.00121451 +C 2.26380134 6.10063488 5.74263805 -0.00551366 -0.00315875 -0.00352022 -0.01736238 -0.00876469 -0.00086004 0.00267385 0.00121590 0.00367747 +H 0.83833655 4.84818916 6.12400621 0.02538681 0.00265353 -0.02247104 0.12034778 -0.06350923 -0.12919443 0.00505138 0.01883068 -0.02523383 +C 2.60209210 7.46767733 5.58203403 0.00386397 -0.00223161 0.00316616 0.02900915 -0.01112940 -0.00244286 0.00246862 -0.00069654 -0.00367040 +H 3.10306933 4.21200853 6.45294237 -0.00507562 0.00070450 -0.02333627 -0.07988080 -0.08351011 -0.16863815 -0.00648409 -0.00363025 -0.02009369 +C 3.96046792 7.89406508 5.56719690 0.00794787 -0.00614969 0.00111552 0.02984750 -0.03758217 0.01624537 0.00043187 -0.00197619 0.00214004 +H 1.89589878 8.18880255 5.32715889 -0.00136462 0.01746415 -0.00987604 -0.00606597 0.01527888 0.02286714 0.01432147 -0.02477715 0.01904599 +C 4.98934634 6.99842315 5.87876556 0.00105862 0.00210024 -0.00680418 0.04639937 -0.02611931 -0.05187661 0.01192937 -0.00864756 -0.00690758 +H 4.23652518 8.90485699 5.42737474 -0.00750930 -0.00715971 -0.00082808 -0.06750267 0.01398491 -0.06539345 -0.00971662 -0.01142984 -0.01037028 +C 4.66124151 5.61624296 6.13028165 0.00249379 0.00056666 0.00469271 0.00088034 0.00737503 0.04156987 -0.00072813 0.00035527 0.00716568 +N 6.32995376 7.43168764 5.74929395 0.00782198 0.01054098 -0.00393994 0.03851813 0.04611376 -0.01024908 0.00088859 0.00305230 -0.00002082 +C 3.28594036 5.20636081 6.10087935 -0.00135380 -0.00334582 0.00594691 0.00978284 -0.01079887 0.03435640 0.00165984 -0.00089828 0.00283536 +H 5.36048664 4.89039682 6.41424703 0.01094694 -0.02790339 0.02439469 0.00824344 -0.00222679 0.05599825 -0.01506415 0.03249356 -0.01145804 +C 7.52449190 6.82462815 6.05887025 -0.00069679 -0.00398466 0.00017319 -0.02273726 0.00091760 -0.01269869 -0.00366197 0.00500037 -0.00459476 +H 6.46990529 8.37317447 5.43835837 -0.01333222 0.00031456 -0.01163954 -0.06127658 0.05592947 -0.09355037 0.00209410 -0.00216510 -0.00591323 +O 7.71102638 5.66439344 6.47110621 -0.00611609 0.00049376 -0.00241363 -0.04760653 0.00865297 -0.01758043 -0.00748831 0.00150819 -0.00246447 +C 8.68117326 7.75871459 5.79191028 -0.00319249 0.00212833 0.00005431 -0.00291677 -0.00572237 -0.00942713 -0.00135353 -0.00087473 0.00486108 +H 9.04118864 7.53780996 4.70729978 0.01417378 0.00883729 -0.00396888 0.01831222 0.17562414 0.11290815 0.01082115 0.03436928 -0.02052655 +H 8.59213537 8.80268210 5.91877896 -0.02510000 -0.01081116 0.04677182 -0.23058736 -0.03464788 0.26534220 -0.02051549 -0.03084079 0.01272555 +H 9.55506125 7.49785535 6.39466707 -0.02725362 -0.01209614 0.00273764 -0.11840789 -0.12478955 0.09460151 -0.00471924 -0.01760233 0.01633420 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98694098 5.68430094 5.81240686 -0.00201760 -0.00042584 -0.00648310 -0.00893174 -0.00360668 -0.03053566 -0.00066324 -0.00001023 -0.00384851 +C 2.30947183 6.01674258 5.97508766 0.00324774 0.00085179 -0.00384484 0.01115571 0.00635756 -0.03045170 -0.00238317 0.00024771 -0.00296060 +H 0.53203029 5.88553499 5.04802852 -0.01243674 -0.00651626 -0.00368013 0.00858368 -0.00621825 -0.07163155 0.02720664 -0.00154219 0.00669332 +C 3.00241033 5.85985664 7.21052639 -0.00343969 0.00116966 -0.00068511 -0.01567895 -0.01520141 -0.00544683 0.00304264 -0.00418235 -0.00260773 +H 2.50477153 6.52265195 3.92501878 0.01744457 0.01525196 -0.00976599 0.14487568 0.06608819 -0.10665909 0.02047363 0.00064331 0.00223317 +C 4.37149478 6.00927513 7.24843452 0.01050148 0.00175026 0.00421485 0.06209359 0.01259546 0.04958562 0.00056565 0.00202058 0.00660577 +H 2.56982823 5.40523245 8.11600491 0.01035533 -0.02155669 0.00472120 -0.04554740 -0.03291188 -0.08268609 -0.03114608 0.00232377 -0.00971544 +C 5.08484708 6.49940654 6.15537038 0.00067402 0.00543180 0.00922028 0.01370531 0.03774209 0.05269315 0.00328071 0.00495950 0.00432348 +H 4.97231086 5.73787771 8.17497461 0.01149570 -0.01748332 0.00140589 -0.03356641 -0.06082443 -0.02931303 0.00701580 -0.00936152 0.02855173 +C 4.41076705 6.69575431 4.95862385 -0.00353781 -0.00617681 0.00593979 -0.01849294 -0.05233693 0.01527746 0.00053810 -0.00721680 -0.00124168 +N 6.45295476 6.57328849 6.30437642 0.00178138 0.00356921 0.00020618 0.02253516 0.01846944 0.01354500 0.00571000 0.00003536 0.00550776 +C 3.05134406 6.41497219 4.82719225 -0.00091269 0.00479082 -0.00061720 -0.02441707 0.03808563 0.01305714 -0.00453191 0.00622631 0.00091541 +H 4.89132156 6.74171668 4.02157541 -0.01457695 -0.01602589 -0.00231446 0.03726511 0.07932610 0.01427270 0.01225345 0.03050215 0.02247557 +C 7.37692006 7.35490681 5.71198825 0.00442347 -0.00185266 0.00036094 0.02589759 -0.02465199 0.00491363 0.00032193 -0.00343043 -0.00177334 +H 6.72761806 5.96982324 7.01224750 0.00445267 -0.00659049 -0.00387132 0.13581097 -0.00556244 -0.00355860 0.01838873 0.02041167 -0.01488548 +O 7.14871881 8.08392913 4.80454797 -0.00401609 -0.00342502 0.00057526 -0.03864148 -0.00777269 -0.01197231 -0.00637757 0.00039157 -0.00296549 +C 8.85784714 7.25385921 6.10480950 -0.00833724 -0.00109303 -0.00156700 -0.03347733 -0.01291753 -0.03134671 -0.00130135 -0.00213417 -0.00557759 +H 9.23470296 6.40130608 5.48391680 0.02471365 -0.00481834 -0.01733854 0.11369197 0.11059822 0.06564324 0.01434004 0.00745726 0.01320321 +H 9.38094812 8.17567619 5.78214601 -0.00262345 0.01041739 -0.01613074 -0.09533595 -0.05214935 -0.05790709 -0.01335540 -0.00360738 -0.00229240 +H 9.11159327 7.16287330 7.18622754 0.00097739 0.00079428 -0.01728432 -0.07152030 -0.05132580 -0.05531641 -0.01720104 -0.01155095 0.01295354 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97984710 5.79235748 5.82747589 0.00586264 -0.00073331 0.00293383 0.04291228 -0.01875065 0.02103252 0.00385524 -0.00221089 0.00317712 +C 2.34638398 6.12738156 5.93125982 -0.00620171 0.00065966 -0.00392804 -0.05765924 -0.01883481 -0.04869613 -0.00497293 -0.00273105 -0.00753080 +H 0.80813316 4.86109634 5.70530424 -0.02492670 -0.02001837 0.00924226 -0.06855593 0.05022578 0.06426149 -0.00070437 -0.01027932 0.00401859 +C 2.60742599 7.35010940 6.49251229 -0.00161144 -0.00343707 0.00535329 0.03242379 -0.01448169 0.04284347 0.00795294 -0.00220245 0.00597770 +H 3.16345009 4.37690070 4.84857471 -0.00153829 0.02996865 -0.00047822 -0.10236760 -0.00346746 -0.08875356 -0.01726563 -0.00772497 -0.00864478 +C 3.98799571 7.73662348 6.57716900 0.00035610 0.00608699 -0.00306795 -0.01236667 0.04229487 -0.02879444 -0.00354918 0.00291916 -0.00716464 +H 1.78698734 7.95937796 6.88481321 0.01880622 -0.01503857 0.01093140 0.06395204 -0.02091702 0.12675996 0.00104940 0.00721837 0.02125623 +C 5.00553616 6.95950812 5.98643193 -0.00960111 0.00037247 -0.00752219 -0.04222629 -0.00364507 -0.04007819 0.00090606 0.00224101 -0.00213604 +H 4.31415997 8.67147566 7.10403660 0.01187827 0.01307842 -0.02776025 -0.03753329 0.05944826 -0.18938380 -0.01323690 0.02735679 -0.00877301 +C 4.67575535 5.71563600 5.36009334 -0.00435479 0.00503729 0.00113952 -0.00762947 0.03093368 0.00545249 -0.00158207 0.00123452 -0.00008852 +N 6.30488870 7.38872562 6.08300657 0.00738747 0.00069332 0.00233740 0.01688428 0.01017861 0.00518755 -0.00437328 0.00152575 -0.00108352 +C 3.36044092 5.31369680 5.32748599 -0.00288522 -0.00263137 -0.00311400 -0.04244806 0.00375591 -0.00590413 -0.00848986 0.00181140 -0.00065586 +H 5.47137071 5.13061114 4.94512331 0.02022638 -0.01870081 0.00209104 -0.08033530 -0.03573616 0.04691648 -0.02692961 0.00558288 0.00606923 +C 7.46450376 6.84347932 5.79864899 0.00508319 -0.00392845 0.00418683 0.02538637 -0.03011408 0.04893396 0.00261391 -0.00378346 0.00922897 +H 6.38967390 8.37006312 6.32411707 -0.00844831 -0.01251452 -0.00972565 -0.01225176 0.03211239 -0.00478783 0.00697717 0.01129361 0.00614686 +O 7.68609039 5.68251961 5.62595178 0.00274369 -0.00384257 -0.00119586 0.01743691 -0.04766673 -0.01682386 0.00220477 -0.00883530 -0.00329274 +C 8.58682838 7.72158454 5.94801215 -0.00141803 0.00318638 0.00376046 0.02188011 0.06364448 0.02944974 0.00802998 0.00900015 0.00461945 +H 9.09884593 7.62624401 6.88245715 0.02189318 -0.01682206 -0.00224264 0.08874067 -0.10403662 -0.01131646 -0.00138356 0.00102671 -0.00984372 +H 9.30822376 7.43969227 5.16934245 -0.02207419 0.01557967 0.01192049 -0.03280864 0.11181088 -0.04497865 0.00986047 0.01527035 -0.02007815 +H 8.34515489 8.81830934 5.86318462 -0.00921582 0.02376178 -0.01600804 -0.02662337 -0.05313916 -0.07581503 -0.00461118 0.00322389 -0.00007308 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.05126233 5.65122737 5.97000707 0.00235231 0.00027546 -0.00895846 0.01163397 0.00745117 -0.07349822 0.00007432 0.00167567 -0.00954025 +C 2.32745379 6.06243534 5.69811625 0.00164587 0.00327931 0.01132424 0.00533330 0.01269593 0.07746743 0.00019401 0.00107359 0.00570419 +H 0.86296297 5.69029248 6.85895053 -0.00740443 0.00594178 -0.00952996 -0.07387445 0.00817394 -0.07000825 -0.00841816 -0.00515340 -0.03691483 +C 2.84624392 6.43948244 4.46009381 -0.00095850 -0.00544967 -0.00097370 0.02358608 -0.01904696 0.01386372 0.00466944 -0.00074412 0.00645740 +H 2.73444905 5.96521730 7.86210817 -0.01370066 0.00254865 0.01762382 -0.04902445 -0.09142542 -0.03073089 -0.00349292 -0.03033191 -0.00365830 +C 4.21418748 6.93589562 4.35122983 0.00149085 0.00082671 0.00385190 -0.01646396 -0.00431246 0.03294581 -0.00524704 -0.00221180 0.00456974 +H 2.15521896 6.46954457 3.63081571 0.00796726 -0.00905460 0.02728197 -0.00393630 -0.07631311 -0.02250185 0.00641613 -0.01233214 -0.01688814 +C 5.02853679 6.89276795 5.52987191 -0.00044804 0.00652262 0.00036581 0.01312660 0.02983817 -0.00109044 0.00323847 0.00223474 -0.00094721 +H 4.60903863 7.37543904 3.44354134 -0.00447126 -0.01070524 -0.01879929 -0.07043985 -0.15864166 -0.02933707 -0.00958157 -0.02642303 0.00745268 +C 4.49702118 6.39537894 6.75377004 0.00010390 0.00017182 -0.00534048 -0.02774721 0.01302398 -0.03046579 -0.00566525 0.00271941 0.00066430 +N 6.39201915 7.24639994 5.45583263 0.00057261 0.00120113 -0.00069957 0.01051546 0.03840840 -0.00983742 0.00159998 0.00630088 0.00203333 +C 3.13163051 6.08202045 6.84652474 -0.00644151 -0.00423287 0.00375460 -0.01920453 -0.01615175 0.04136077 0.00202460 0.00007939 0.00683458 +H 4.98375593 6.46502093 7.67095507 -0.01179195 -0.02056424 0.00297624 0.04373981 -0.15216924 0.00037573 0.00589570 -0.01721474 -0.03153180 +C 7.40137538 7.05252807 6.33483239 0.00092862 0.00270580 0.00108157 0.00404404 -0.02069534 0.00316515 -0.00006478 -0.00739453 -0.00051916 +H 6.66270658 7.87874661 4.67657450 0.03069480 0.02191161 -0.01517546 0.06580728 -0.08171096 0.03856691 0.00195484 -0.00883865 -0.02001601 +O 7.32489634 6.33780827 7.34676030 0.00168354 -0.00121717 0.00324956 0.00935313 0.00487288 0.01634163 0.00090841 0.00240622 0.00144163 +C 8.80189948 7.44361695 5.88363975 -0.00356777 -0.00210744 -0.00284603 -0.01629448 0.00012440 -0.02025666 0.00043879 0.00279820 -0.00564750 +H 8.95934664 7.70363940 4.88191094 -0.01473451 0.00267078 0.00370887 -0.19300740 -0.03466414 -0.12862095 -0.03660349 -0.01616508 -0.00057824 +H 9.02878101 8.38791373 6.34458892 0.02638481 -0.00876588 -0.01615022 0.20335553 -0.05970004 0.02061080 0.01952847 -0.01775184 0.01240875 +H 9.51701094 6.66470485 6.12053769 0.00138948 -0.00617740 -0.02527214 -0.00124511 -0.02896607 -0.12848063 -0.00862400 -0.00091328 -0.01394015 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97330530 5.68519939 5.99195712 0.00035442 -0.00203878 0.00165383 0.01257787 0.00441357 0.00884030 0.00316013 0.00049816 0.00043517 +C 2.27116075 6.11710306 5.84559658 0.00244979 0.00156308 -0.00180628 0.02824297 -0.00344651 -0.01140720 0.00526717 -0.00133936 -0.00108281 +H 0.89382407 4.76045286 5.89754194 -0.00435671 0.02120168 0.00522248 -0.04939405 -0.03165166 0.00716644 -0.00293345 0.01472356 0.00124768 +C 2.67778318 7.42131799 6.20930529 0.00081817 0.00305855 -0.00094865 -0.00979873 0.02751414 0.00885716 -0.00289114 0.00236710 0.00283490 +H 3.21326768 4.18525993 5.27223518 -0.02075009 0.02712837 -0.00128048 -0.23138744 -0.06795799 -0.07403753 -0.02081344 0.00536993 -0.00950483 +C 3.99914561 7.87410339 6.36585358 0.00542368 0.00057792 0.00881620 0.01653318 -0.02382999 0.03836794 -0.00286307 -0.00437421 0.00266543 +H 1.91917591 8.13396106 6.54024803 0.00283994 -0.01812761 -0.01026453 -0.09121960 -0.03806971 -0.04268290 -0.02324285 0.01087372 0.00042077 +C 4.98591457 6.96787227 5.96641396 0.00213019 0.00634747 -0.00247652 0.02099941 0.04016279 -0.01489454 0.00344274 0.00099596 -0.00228296 +H 4.30549607 8.84529302 6.76728661 -0.02169051 -0.02023876 -0.00276251 -0.14765035 0.03711034 0.04151059 -0.01176724 0.01648651 0.01030013 +C 4.61196131 5.71398504 5.48274807 -0.00774249 -0.00830488 0.00172476 -0.01259692 -0.05329828 0.03058910 0.00834765 -0.00473307 0.00639106 +N 6.30500218 7.40832018 6.15542941 0.00428523 0.00560042 -0.00302985 0.02223047 0.03625409 -0.02417926 0.00227709 0.00638739 -0.00330635 +C 3.28689481 5.20530756 5.49333771 0.00426934 -0.00768304 -0.00684666 0.01865499 -0.01067847 -0.04000936 -0.00326432 -0.00018546 -0.00485454 +H 5.42208573 5.05304043 5.40046788 0.00435334 0.01092587 0.00771998 -0.00500434 -0.08837957 -0.10342799 -0.02279241 -0.02052095 -0.02893859 +C 7.48490773 6.88161810 5.86856929 0.00046842 0.00070508 -0.00102625 0.00651873 -0.04780781 -0.03129667 0.00035714 -0.00756244 -0.00430303 +H 6.44358886 8.27843397 6.56882820 0.00479054 0.00036184 -0.01249463 -0.02458108 0.11399309 -0.03659328 -0.01040065 -0.00455496 -0.01382173 +O 7.67749251 5.74636645 5.33514039 -0.00399939 0.00190443 0.00325386 -0.03574237 0.02380664 0.02792124 -0.00558052 0.00166639 0.00322397 +C 8.69527050 7.64720987 6.15300763 -0.00112684 -0.00247614 0.00020850 -0.00303934 0.01354164 0.02208072 0.00218289 0.00088862 0.00424631 +H 8.73692582 7.78707046 7.23607329 -0.00512176 0.00509811 0.01068307 -0.02460178 0.08727688 -0.00956925 -0.00080494 0.01965614 -0.00352726 +H 9.63347107 7.27117625 5.88242608 -0.01408946 -0.00824656 0.00611927 -0.00926241 -0.18117589 -0.03527577 -0.02054489 -0.01451793 -0.00220443 +H 8.63298751 8.63141532 5.60581474 -0.02738847 -0.01977322 -0.01067539 -0.13879276 -0.09360543 -0.02183374 -0.00598279 0.01550889 -0.00917287 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.93480335 5.69671268 5.94060456 0.00047360 -0.00537455 -0.00414433 0.01841729 -0.01375596 -0.01836074 0.00506379 -0.00065093 -0.00314591 +C 2.24271246 6.14051669 5.92601643 0.00764119 0.00033213 -0.00543941 0.04834438 -0.01965803 -0.04235066 0.00176171 -0.00318256 -0.00477878 +H 0.68197763 4.97208084 5.40607565 -0.00004623 0.02372982 -0.00282786 0.03365711 0.01497862 -0.12824868 0.01849836 0.01409874 -0.00460269 +C 2.66504445 7.39725706 6.40940816 0.00601943 0.00088247 -0.00270405 0.00634054 0.00789113 -0.00567721 -0.00132986 -0.00046798 -0.00025306 +H 3.21733206 4.24476416 5.08068411 0.02109038 -0.01971414 -0.00775696 -0.08749295 0.01695402 0.06307245 -0.04375049 0.00638888 0.01847801 +C 4.00314572 7.80281323 6.39589636 0.00399201 0.00247149 0.00061256 0.00945242 0.03023486 0.01886747 -0.00013222 0.00437325 0.00415614 +H 1.90509010 8.03516903 6.87718946 -0.00706520 0.01117953 0.02794604 0.09615155 -0.03469354 0.03449182 0.00731636 -0.00342468 -0.00477078 +C 5.00651578 6.97699468 5.87374241 -0.00052614 0.00391278 0.00376557 0.00106244 0.01747182 0.03509147 -0.00202383 0.00015979 0.00554172 +H 4.08627918 8.76561983 6.90810123 0.01698435 -0.00005468 0.02962098 0.24289236 -0.08038625 0.05790454 0.03948969 -0.00568466 -0.00531647 +C 4.67556045 5.68199933 5.41449330 -0.00428358 0.00354670 0.00625081 -0.06711060 0.02523068 0.05504972 -0.00920033 0.00029636 0.00814618 +N 6.31422227 7.43400877 6.07601211 -0.00685831 -0.00252459 -0.00252787 -0.03063819 -0.01299355 -0.02131422 -0.00021118 -0.00156547 -0.00360392 +C 3.30026048 5.26028670 5.46558854 -0.01190360 -0.00177131 0.00531135 -0.03477626 -0.01309818 0.01670456 0.00356847 -0.00156066 -0.00064086 +H 5.36053681 4.98201050 5.11155541 -0.00438347 0.00561653 0.02835965 0.06921555 -0.00630334 0.11247513 -0.01895113 0.02430022 0.01432163 +C 7.50709378 6.83566915 5.83561429 0.00231018 0.00747226 -0.00148656 -0.00582470 0.03221322 -0.01282797 -0.00368619 -0.00287019 -0.00382745 +H 6.36823077 8.36606621 6.48155464 -0.00543062 0.00642981 0.00258055 -0.02875022 -0.04041285 -0.04182048 -0.00216293 0.00178553 -0.00629957 +O 7.70587135 5.71812176 5.45386510 0.00350386 -0.00814317 -0.00355957 0.01778384 -0.05247507 -0.02566144 0.00115059 -0.00375970 -0.00277266 +C 8.67820000 7.70097947 6.12415892 -0.00194396 -0.00283876 -0.00108699 -0.00132005 0.02895678 -0.00227655 0.00075216 0.01025934 0.00268957 +H 8.43222301 8.26312592 6.99855272 -0.00502481 0.01142985 0.00997027 0.03339444 0.00669580 0.03313084 0.01349445 -0.01397369 -0.00459729 +H 9.62892375 7.16778728 6.31647752 -0.00364440 0.00289462 0.00602751 -0.04636600 -0.00775817 -0.00968448 -0.00085637 -0.00866912 -0.00755237 +H 8.77305664 8.43930581 5.30929885 0.00413493 0.04121177 0.00124411 0.06073889 0.06100709 0.12788453 0.01383471 -0.00655940 0.01288744 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97385376 5.67777289 5.82899101 -0.00713755 -0.00291536 -0.00462845 -0.03443971 -0.02371608 -0.02986671 -0.00053020 -0.00048783 -0.00300959 +C 2.25390647 6.11203792 5.94354613 0.00757722 -0.00125035 -0.00139803 0.02969022 0.01031089 -0.00866180 -0.00256711 0.00375000 -0.00084805 +H 0.93090699 4.74525162 5.56895632 0.00139874 -0.02188750 -0.00043696 -0.02251443 0.00136519 0.04160046 -0.00918363 -0.02132536 0.00139277 +C 2.59287878 7.45237394 6.16565072 -0.00235759 0.00616059 0.00249357 -0.02921962 0.04569014 0.02052483 -0.00402893 0.00485309 0.00297070 +H 3.01267236 4.20938759 5.62610774 0.00373697 -0.00310684 0.00906494 0.11499226 -0.03256221 0.03007248 0.02400220 -0.00342811 -0.00156335 +C 3.92393353 7.90392178 6.15256211 -0.00713590 0.00236108 0.00057838 -0.01172846 0.01486227 0.01413466 0.00133511 0.00290345 0.00310073 +H 1.80323829 8.16230024 6.40250775 0.00450104 0.01272083 0.01682256 0.01042139 0.06030739 0.03970488 -0.01002059 0.00818112 -0.00632946 +C 5.01270366 6.99234306 5.95814106 -0.00424976 0.00081690 0.00229217 -0.05041057 -0.01855764 0.01732222 -0.00727648 -0.00429277 0.00287915 +H 4.23695047 8.88358836 6.44434395 -0.01411353 0.01571867 -0.01608293 -0.18900307 0.10426605 -0.14051924 -0.02774575 0.00190660 -0.02018526 +C 4.65192224 5.63804030 5.76110609 0.00244147 -0.00250759 0.00000928 0.02280393 0.00171083 -0.00728746 0.00327656 0.00236276 -0.00246575 +N 6.33861477 7.33355550 6.16348853 -0.00196152 -0.00715272 -0.00015275 -0.02674914 -0.01261596 0.00567311 -0.00477469 0.00265406 0.00169938 +C 3.30316657 5.22736473 5.77951751 0.00421626 0.00349581 0.00419423 0.03505714 -0.00867018 0.01828236 0.00602642 -0.00587435 0.00096810 +H 5.46532528 4.94636720 5.56675669 0.01420553 0.03621920 -0.02998104 0.03544638 0.06137578 -0.13722042 -0.00665910 -0.01947673 -0.00442402 +C 7.50623030 6.83754056 5.82936165 0.00265659 0.00459545 0.00224043 0.02282132 0.01062516 0.00316596 0.00209872 -0.00106404 -0.00139427 +H 6.42754851 8.28412305 6.53842359 -0.00042610 -0.02346152 0.01335192 0.00504257 -0.11048283 0.16469955 -0.00080219 0.00172501 0.03427761 +O 7.69686049 5.86806807 5.11999414 0.00112879 0.00255962 0.00373638 0.00381680 0.00802872 0.02289645 0.00010778 -0.00058669 0.00249733 +C 8.70760984 7.60418795 6.28897873 0.00278030 -0.00686340 -0.00825587 0.05481291 -0.01310572 -0.05295085 0.01038744 0.00087169 -0.00174158 +H 8.80090335 7.93015501 7.28028264 0.02035829 0.02457857 -0.01503293 -0.00706310 0.04532802 -0.00698342 -0.01821199 -0.02274079 -0.01293887 +H 9.69683575 7.14222036 6.05573193 0.00372284 -0.00531693 -0.00393351 -0.05414365 -0.12379953 -0.04822965 0.00173405 -0.03364718 -0.01066320 +H 8.74677439 8.59360587 5.68196723 0.01860092 -0.01155271 0.01684109 0.08487080 -0.09227265 0.03469647 0.00969893 0.02715804 -0.03638612 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.15964160 5.70177087 5.60774724 -0.00204375 0.00566669 0.00068346 -0.02008206 0.03454235 0.00354400 -0.00461915 0.00532396 0.00059611 +C 2.42982737 6.14192514 5.80837385 -0.00090441 -0.00585566 0.00134823 -0.05566183 -0.00944037 0.01169493 -0.01214192 0.00202931 0.00263821 +H 1.11146622 4.75358193 5.35753658 0.00813553 0.00784122 -0.00137565 0.03527880 0.06076691 0.01065383 -0.00146616 -0.01858782 -0.00313674 +C 2.65048309 7.54626399 5.74740561 -0.00497956 -0.00515830 0.00261958 -0.01050885 -0.06077753 0.02126999 0.00082991 -0.00766468 0.00251874 +H 3.10647780 4.24176305 6.43337381 0.03885795 0.01017498 -0.00620370 0.15959395 -0.11806123 -0.09124987 0.00308715 -0.00390882 -0.02605606 +C 3.96272068 7.95924623 5.94875238 0.00100784 -0.00303904 -0.00339097 -0.00466915 -0.01483222 -0.03421269 -0.00313582 -0.00039321 -0.00669331 +H 1.84748019 8.22463797 5.54084240 0.02297794 -0.00722627 -0.00234916 0.02608032 0.03070844 -0.03521791 -0.00174799 -0.00431995 -0.00106915 +C 5.00053097 6.99570252 6.06640844 -0.00562633 0.00183870 0.00134601 -0.03257792 0.01768009 -0.01106757 -0.00070643 0.00037946 -0.00388110 +H 4.12758794 9.00788205 5.85193291 0.00706107 -0.00253282 -0.02451152 0.08864949 -0.02592063 -0.12230109 0.00945350 -0.01268377 -0.00758842 +C 4.69433275 5.62798363 6.11699887 0.00559326 -0.00360906 0.00059283 0.02246597 -0.02170142 0.02990547 -0.00307427 0.00163099 0.00697806 +N 6.25008646 7.50201879 5.87953962 -0.00010255 0.00004517 0.00274098 0.00116473 0.00883424 0.02878395 0.00071653 0.00068636 0.00517397 +C 3.37573964 5.22220951 6.17472749 -0.00525938 0.00188959 -0.00271630 0.00022357 0.00391875 -0.02324788 0.00535247 -0.00470629 -0.00333671 +H 5.47529991 4.83619804 6.30133921 0.00110272 -0.00187354 0.00745862 -0.06696632 -0.01123730 0.02181144 0.01300248 -0.02337030 0.00410598 +C 7.36302386 6.80646939 5.93040788 0.00411710 0.00425978 -0.00625444 0.04939522 0.02251696 -0.05275667 0.00625682 0.00227190 -0.00737028 +H 6.35146837 8.51243405 5.72895873 -0.00581440 0.00800297 -0.00218610 -0.04582338 -0.02764492 0.02942946 -0.00237045 0.00997238 0.00739846 +O 7.46576950 5.59529035 5.90714680 -0.00168872 0.00399389 0.00136891 -0.00232126 0.02073127 0.01145156 0.00128489 0.00185165 0.00163416 +C 8.65905909 7.59113455 5.85932295 0.00085955 -0.00437922 0.00211007 0.01565974 -0.00573496 0.02196802 0.00689297 0.00175483 0.00079775 +H 9.34845863 7.30248940 5.11489276 -0.00142882 -0.00268538 -0.00163399 -0.04048208 -0.06747598 -0.08035948 -0.02408811 -0.00738403 0.00154164 +H 8.30293161 8.62826295 5.66956142 0.03263437 0.00764523 0.01681934 0.31193807 0.03331599 0.11583416 0.03887340 0.01172676 0.01228216 +H 9.20271514 7.53174610 6.82369005 0.01900525 -0.00585354 -0.00490809 0.05788632 -0.05983128 -0.05230537 0.00495856 -0.01889730 0.00470589 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04892251 5.76585785 5.81531707 -0.00066755 0.00055977 -0.00657264 -0.02250897 -0.00059294 -0.03912644 -0.00271827 -0.00120462 -0.00223172 +C 2.32530259 6.01312233 5.99873961 0.00925326 0.00294691 -0.00129111 0.05108151 0.02129501 -0.01740493 0.00067129 0.00133040 -0.00303257 +H 0.63609496 6.16101283 5.02069225 -0.02380415 -0.00559490 -0.00285337 -0.07659932 -0.04727339 0.00853615 -0.01077377 0.00674545 -0.02320813 +C 2.96399154 5.72779609 7.18107747 0.00540921 -0.00386696 -0.00098665 0.04834947 -0.03941735 -0.00873036 0.00587782 -0.00852701 0.00004694 +H 2.53568543 6.59842883 3.95413835 0.00135921 0.02152460 0.02181678 -0.04216893 0.22355615 0.06089075 -0.01680045 0.03659526 -0.01412231 +C 4.35481747 5.87564403 7.27501391 -0.00167038 -0.00307375 0.00213707 0.00312206 0.00419125 -0.01317961 0.00390094 0.00414096 -0.00146318 +H 2.42144436 5.23021091 7.93727283 0.03795752 -0.00266944 -0.01223955 0.09497849 -0.04951677 0.11148693 0.00160746 0.00534604 0.01246512 +C 5.09646728 6.42794088 6.15172077 -0.00457178 0.00661630 0.00637110 -0.01324791 0.03528101 0.05630712 -0.00000339 0.00342063 0.00681491 +H 4.85455770 5.54665242 8.16622394 -0.02685810 0.03620682 0.00046873 -0.07496537 0.18942473 0.12429223 -0.00030607 0.01705928 0.00874205 +C 4.47145396 6.75553467 4.93880630 -0.00061706 -0.00471481 0.00045440 -0.04888813 -0.03907255 0.02564577 -0.00948794 -0.00581966 0.00758086 +N 6.47599354 6.58520444 6.33431307 -0.00183503 0.00308558 0.00123873 -0.01851476 0.02240825 0.01657414 -0.00290499 0.00270974 0.00430695 +C 3.06111329 6.50883352 4.92593947 -0.00761145 0.00049039 0.00183588 -0.01502394 0.01563697 -0.01892040 0.00335373 0.00475241 -0.00666591 +H 4.91366232 7.17994440 4.03201455 0.00862958 -0.00281026 0.01883858 0.10050978 -0.05434798 0.10926256 0.00856482 -0.01181618 0.00726228 +C 7.38209330 7.30837288 5.62707603 -0.00173382 -0.01280736 0.00325905 -0.00902445 -0.05112808 0.00946370 -0.00063477 -0.00003382 -0.00208380 +H 6.77885122 6.25945705 7.24926703 0.00178421 0.00903518 -0.00822417 0.07665268 0.00168704 -0.03103131 0.01458436 -0.00959085 0.00208982 +O 7.08757704 7.99575943 4.64125126 0.00182906 -0.00006382 0.00321131 0.01764572 -0.01269065 0.02993082 0.00288642 -0.00382858 0.00530792 +C 8.81567725 7.39571013 6.21537325 0.00057260 0.00303593 -0.00905963 -0.01018971 0.00120709 -0.06500983 -0.00091643 -0.00038492 -0.00502027 +H 8.95472462 6.43641746 6.66511850 0.00244199 0.00676771 0.00731875 0.12893284 0.02923372 0.00652487 0.02803372 0.01352199 -0.01443270 +H 9.53923431 7.55107572 5.43049369 0.00361613 0.01794081 -0.01597697 -0.00695710 0.09525880 -0.06252342 -0.01313514 0.00368463 -0.00007848 +H 8.88760451 8.07301578 6.97405516 0.01348822 0.00437212 -0.00542318 0.06045574 0.13112856 -0.03253997 -0.00697924 -0.00595492 -0.04183831 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98507682 5.70872393 5.85188479 -0.00182204 0.00647018 0.00470813 -0.00881543 0.05422394 0.03261172 -0.00036708 0.00769113 0.00428781 +C 2.28686381 6.15835453 5.82691769 -0.00100061 0.00014402 0.00654348 -0.01269725 -0.03554924 0.03519102 -0.00312509 -0.00887602 0.00353419 +H 0.33262825 6.39772606 6.09774000 0.02151591 0.01465662 0.02304605 0.13588539 0.08292882 0.16932204 0.00065870 0.02304822 0.03083475 +C 2.68529003 7.38429333 6.38893046 -0.00289744 -0.00704200 -0.00714016 -0.01809091 -0.01808245 -0.02301728 -0.00064981 0.00093588 -0.00030969 +H 3.06613318 4.27259235 5.05307179 0.01204745 -0.00820492 -0.01588033 -0.02142756 -0.02829612 -0.10664411 -0.01559987 0.02425161 -0.00266209 +C 4.03939288 7.76542535 6.52447764 -0.00270855 -0.00480982 -0.00776088 -0.03540330 -0.03953764 -0.06065798 -0.00748101 -0.00895668 -0.00993832 +H 1.93604945 8.03305389 6.87346320 0.02850024 0.02010802 0.00750292 0.12920087 0.06790326 -0.03893725 -0.01309546 0.00786242 -0.00926260 +C 5.00467715 6.92410047 5.96760045 -0.00068219 -0.00566805 0.00061120 -0.01586512 -0.04672185 0.01277059 -0.00243403 -0.00605034 0.00291615 +H 4.32618526 8.72952580 7.03951346 -0.00592152 -0.01621994 0.01317666 -0.08295001 -0.16007180 0.01148062 -0.00613816 0.00478939 0.00429260 +C 4.60123832 5.63294951 5.44888761 -0.00487632 0.00531747 -0.00348460 0.01315607 0.02489559 -0.03209373 0.00324759 0.00219186 -0.00482278 +N 6.28067720 7.38604040 6.17401085 -0.00380705 -0.00149373 -0.00055275 0.00486329 -0.03723276 -0.01063295 0.00591351 -0.00858509 -0.00255494 +C 3.27906579 5.24266019 5.38069845 -0.00616769 -0.00261496 -0.00220517 -0.04232501 -0.00370642 -0.01143350 -0.00291665 -0.00089339 -0.00250333 +H 5.34127208 4.88255737 5.12343028 0.03478110 -0.00714657 -0.00882561 0.02661000 0.16491434 -0.00159822 0.00058960 0.02051169 -0.00755952 +C 7.47079813 6.82619121 5.86431653 0.01387072 -0.00271782 -0.00042049 0.07647610 0.03246475 0.01148135 0.00379442 0.01007056 0.00323348 +H 6.33127459 8.21629279 6.77798735 -0.01403764 -0.00611286 -0.01278820 -0.05191854 0.03622059 -0.13715452 0.00076012 0.01814480 -0.02193688 +O 7.73144924 5.74448463 5.39506462 0.00165859 0.00571140 0.00367718 0.00623109 0.01520925 0.01600808 0.00093826 -0.00112500 0.00099454 +C 8.67348814 7.76589990 6.07043134 0.00140329 0.00219687 0.00208749 0.01355125 0.01330747 0.00575210 0.00341266 0.00306874 0.00293353 +H 9.52483375 7.18070532 6.39418072 0.01842832 -0.00189247 0.00029209 0.03962621 0.08026421 0.03751540 -0.00787392 0.02045813 0.00820428 +H 8.91711371 8.17218595 5.06439300 0.01161286 0.00998763 -0.00847702 0.04557704 0.05923467 0.09438760 0.00475025 0.01558456 0.01286598 +H 8.39967029 8.55912792 6.72387293 -0.01498325 0.00328516 0.01677962 0.00542312 -0.01875488 0.08654639 0.01801363 -0.01817642 -0.00405217 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.10725536 5.56838418 6.01446894 0.00432958 0.00170498 0.00461784 0.01742395 -0.00635383 0.02638242 0.00235423 0.00016597 0.00379179 +C 2.32668951 6.05187330 5.94122347 0.00901443 -0.00052755 -0.00418234 0.06367358 0.03226183 -0.00580496 0.00450385 0.00690317 0.00212321 +H 1.07611684 4.64720856 5.71499601 0.01119552 -0.01468684 -0.00270306 0.03755750 0.04234697 0.01763000 -0.00199353 -0.01823418 -0.00715405 +C 2.65716328 7.18394998 6.74277086 0.00602683 0.00037557 -0.00951151 0.03954676 0.01807476 -0.05422532 0.00569746 0.00501778 -0.00551079 +H 2.95345368 4.73607259 4.37836672 -0.01844410 0.01617596 -0.02111576 -0.01558737 0.15164932 -0.08428888 0.00186677 -0.00121769 -0.02088271 +C 3.97535005 7.73181696 6.73946654 0.00851740 -0.00007388 -0.00237731 0.03310168 -0.02872087 -0.02127038 -0.00006266 -0.00796070 -0.00332013 +H 1.92770634 7.65130746 7.35098725 -0.02421975 0.01783658 0.01565082 0.02258060 -0.02130276 -0.08468392 0.02494125 -0.01721022 -0.03223611 +C 5.01860531 7.00209142 6.06443545 0.00260930 -0.00373121 -0.00357134 -0.00865590 -0.01218342 -0.02085557 -0.00263907 0.00092025 -0.00130279 +H 4.08965019 8.66515328 7.32265276 -0.03048520 -0.01088458 0.00672503 -0.00701487 -0.11396224 0.06061556 0.03320109 -0.00897783 0.01457311 +C 4.64121910 5.97150301 5.13051848 -0.00620839 -0.00108214 0.00208922 -0.05533238 -0.00057428 0.01915953 -0.00822710 0.00000215 0.00146641 +N 6.29688266 7.40236459 6.29762710 0.00352086 0.00046301 0.00534487 0.02142439 0.00441092 0.03134067 0.00079770 -0.00107789 0.00199438 +C 3.28579608 5.55468195 5.06281075 -0.00462575 -0.00187075 0.00248308 -0.01816476 -0.03092357 0.00060720 0.00095345 -0.00387272 -0.00086019 +H 5.35324256 5.48228018 4.46402084 -0.02903600 0.01541294 -0.01081640 -0.12281182 0.05835695 -0.08183742 -0.00050703 0.00165031 -0.00855635 +C 7.41704049 6.87585881 5.79457573 -0.00523442 -0.00062841 0.00416596 0.00058254 -0.04004923 0.00356482 0.00430350 -0.00734110 -0.00080787 +H 6.41687580 8.17270404 6.94121514 -0.01851467 0.01168891 0.00709063 -0.06669069 0.02858291 -0.00767712 0.00695399 0.00248176 -0.00322059 +O 7.52156263 5.84836293 5.03135792 -0.00242369 -0.00034641 -0.00172810 -0.02742837 0.02455104 0.00924341 -0.00526962 0.00559005 0.00313840 +C 8.74348117 7.53557796 6.15175083 -0.00518284 0.00222999 0.00166583 -0.04774887 0.00189903 0.01578338 -0.00539941 -0.00027089 -0.00084585 +H 9.50001089 6.79920330 6.04835634 -0.00236652 0.00955658 -0.03050902 0.03798386 0.04315677 -0.09948926 -0.00443987 0.01818127 0.00905856 +H 8.92802101 8.21810474 5.36968512 -0.01370803 -0.01367233 0.01856485 -0.05328515 0.15820894 0.03590210 -0.01178298 0.02630394 0.01867573 +H 8.76517825 7.95617975 7.16421849 -0.01218139 0.00382850 0.00705723 -0.05509581 0.02035500 -0.00595173 -0.00268521 -0.00069105 -0.00003531 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92572068 5.85109235 5.83568378 0.00736404 -0.00311866 0.00066911 0.04994926 -0.02007412 -0.00655714 0.00639608 -0.00307709 0.00064171 +C 2.26538964 6.07726807 5.73818642 0.00206386 -0.00032345 0.00978888 0.03628956 0.00586478 0.05301010 0.00744323 0.00358140 -0.00000746 +H 0.55425856 5.73357941 6.69989339 0.03289273 0.00230870 -0.01507275 0.17572643 -0.03014152 0.06882643 0.02119552 -0.00739146 -0.00055015 +C 2.81405383 6.72257506 4.58873415 -0.00264479 0.00339361 -0.00853898 -0.03841501 0.01303672 -0.02298679 -0.00780236 -0.00035396 0.00442860 +H 2.68468760 5.40647654 7.84724625 0.01862808 0.03077035 0.00052048 0.10517107 0.11057487 -0.01017702 0.00907197 -0.00326485 -0.00119889 +C 4.16118264 7.09857787 4.51254691 -0.00990093 0.00274661 -0.00448262 -0.02511201 0.02019025 0.01436306 0.00200291 0.00338089 0.00646938 +H 2.16258717 7.08370038 3.79669028 -0.00625818 0.00983280 0.01168961 -0.09303005 -0.00071353 0.00432915 -0.01576293 -0.01106152 -0.00906826 +C 5.02608669 6.83369634 5.65447283 0.00133389 -0.00358381 0.00346881 -0.00853042 -0.01391352 -0.02431814 -0.00405617 -0.00005502 -0.01037965 +H 4.52946272 7.70731826 3.72255148 0.00182562 0.01805529 -0.00164859 -0.04700404 0.01186960 -0.02377546 -0.01607360 -0.01844790 0.00346943 +C 4.45946191 6.20210955 6.80108157 0.00418986 0.00411963 -0.00737221 0.02301871 0.01588790 -0.01950132 0.00379982 0.00053528 0.00181702 +N 6.37283332 7.29791336 5.58251386 -0.00639144 -0.00053795 -0.00364669 -0.04019761 -0.01580172 -0.03264457 -0.00289933 -0.00345147 -0.00560760 +C 3.08699933 5.77557740 6.89378054 0.00785544 0.00074765 -0.00088974 0.06779042 0.03775514 -0.03815960 0.01070596 0.00906007 -0.00713419 +H 5.02560257 6.11632163 7.69291884 -0.00089569 0.00385723 0.01531908 0.03110219 0.00182687 -0.01792873 0.00764289 -0.00215952 -0.02332653 +C 7.53502701 6.86840456 6.12900734 -0.00417022 -0.00285743 -0.00521903 -0.02740036 -0.00417271 0.00656435 -0.00441778 0.00107551 0.00764894 +H 6.49485427 7.96078065 4.82890965 0.00139673 -0.01407901 0.00130896 0.02458582 0.00960870 -0.01244531 -0.00053639 0.01086820 -0.00069069 +O 7.61444197 5.93754961 6.92654589 -0.00418243 -0.00204738 0.00653427 -0.03451525 -0.01277507 0.03236248 -0.00575482 -0.00098940 0.00215363 +C 8.77466765 7.81050996 6.03681471 0.00084756 0.00094396 0.00617160 -0.01282191 -0.01624674 0.03019604 -0.00590389 -0.00656442 0.00118021 +H 8.82711235 8.25591638 5.02543555 -0.00364655 -0.00533103 0.00607367 -0.04574724 0.04725526 0.09009954 -0.00727368 0.02091914 0.00764002 +H 8.67590027 8.55962686 6.87230287 -0.00064576 0.00170714 0.01622382 0.07401951 -0.04648435 -0.02383920 0.01844634 0.00142767 0.00157607 +H 9.71809326 7.23357606 6.12890545 0.00008652 -0.01945448 -0.01379004 -0.08779442 -0.05873128 -0.02113303 -0.00771131 -0.00540356 0.00776838 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97354708 5.62880074 5.98973867 -0.00702938 0.00182493 0.00331983 -0.02706379 0.01185991 0.01725640 -0.00088243 0.00386003 0.00228946 +C 2.27559298 6.12911799 5.89900265 0.00077904 -0.00450194 0.00059354 -0.02289249 -0.04319502 -0.00141600 -0.00648096 -0.00491991 -0.00088417 +H 0.94549291 4.69540778 5.76985614 -0.00679785 -0.01617176 -0.01242215 -0.08400611 0.07151661 -0.03260492 -0.01940300 -0.00539435 -0.00815754 +C 2.60199452 7.45534876 6.14588181 0.00302610 -0.00712814 -0.00471655 0.01885030 -0.02387399 -0.02368725 0.00255755 -0.00145273 -0.00188649 +H 3.17591862 4.17428147 5.39782206 -0.03664724 0.00266766 0.01264073 -0.21581985 0.07068894 0.06280097 -0.01547008 -0.00158705 -0.00258762 +C 3.93521997 7.89346557 6.14846287 0.00085688 -0.00646019 0.00260305 0.02345007 -0.03851227 0.02919517 0.00481759 -0.00193417 0.00581938 +H 1.87305093 8.22571372 6.40304314 0.02639286 0.01113420 0.00236484 0.05732358 -0.02294606 -0.00865790 -0.01804252 -0.01010496 -0.00328863 +C 5.02144085 7.01048952 5.96448524 0.00731843 0.00135627 0.00184861 0.02013203 -0.00112641 -0.00336175 -0.00085643 -0.00192607 -0.00240415 +H 4.17339920 8.87437875 6.44797702 -0.00732201 -0.00667584 0.00922328 -0.07710226 0.02606079 0.02348216 -0.01195345 -0.00779345 -0.00744540 +C 4.66720061 5.70038988 5.61578313 -0.00497141 -0.00120806 0.00090924 -0.03340238 -0.01975566 0.02175858 -0.00198377 -0.00470993 0.00439265 +N 6.32355856 7.45165653 6.10874454 0.00048933 0.01263869 -0.00142805 0.02820296 0.08366075 -0.01788584 0.00746704 0.00996855 -0.00405515 +C 3.32128024 5.24919702 5.58243650 -0.00479967 0.00246155 -0.00589248 -0.02688702 0.00427000 -0.03608585 -0.00421280 -0.00094820 -0.00338657 +H 5.40368325 4.91757087 5.64344645 -0.02294303 0.00534868 0.00699852 -0.01815000 -0.03910608 -0.09040969 0.00735541 -0.00636421 -0.02802561 +C 7.50731252 6.86982759 5.79261558 0.01355834 -0.00352984 0.00301062 0.04336995 -0.01612417 0.03795146 -0.00322375 0.00029666 0.00710003 +H 6.39065546 8.34805697 6.50500172 -0.02081148 0.03473752 -0.02417838 -0.05691511 0.16718838 -0.17749300 0.00969682 -0.00306961 -0.02871465 +O 7.62289557 5.73315491 5.36025145 -0.00087632 -0.00295537 -0.00232670 -0.00189806 -0.02080780 -0.02068412 0.00055410 -0.00235566 -0.00294690 +C 8.73928975 7.59624956 6.24766785 0.00024531 0.00341656 -0.00055596 0.01607374 0.02408979 0.02390035 0.00337882 0.00202936 0.00854528 +H 8.71599290 7.66390560 7.29237344 -0.01534578 -0.00569209 0.04221868 -0.05765410 -0.00616392 0.04092531 0.00568714 0.00585741 -0.03928188 +H 9.65867621 7.00448462 6.02255466 0.00240821 0.01536956 -0.00679299 0.00060291 0.12706125 -0.06858164 0.01215263 0.00669871 -0.01047156 +H 8.77883912 8.64685525 5.82877708 0.00893956 -0.01259013 0.00024192 0.05842992 -0.05371368 -0.02150661 0.00296580 0.02099493 -0.01133550 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01499453 5.67046977 5.78871500 0.00280089 0.00196486 0.00533647 0.01396917 0.01842862 0.03869868 -0.00032279 0.00364812 0.00649506 +C 2.31364160 6.13219904 5.84436456 -0.00651673 -0.00322201 -0.00294739 -0.02868895 -0.03206809 -0.02276828 0.00130040 -0.00248614 -0.00236506 +H 0.92518152 4.89758243 5.19105499 -0.01073701 0.01988766 -0.00482352 -0.09024584 0.12833599 -0.03227313 -0.01598617 0.00100148 -0.01728430 +C 2.67421874 7.27296309 6.53726752 0.00355459 0.00500944 -0.00224713 0.01180339 0.02276337 -0.00981106 -0.00745408 0.00067764 0.00070178 +H 3.11585906 4.39996301 4.74838543 -0.00543898 -0.00327331 0.02313999 -0.08125436 -0.09881294 0.10365459 -0.01590808 -0.02156646 0.00147759 +C 4.01696297 7.74308509 6.67186861 -0.00191215 0.00244619 0.00272521 -0.04026797 0.02458552 0.01908936 -0.00524728 0.00212788 0.00090188 +H 1.90632715 7.72502142 7.03142969 0.00242241 -0.03997801 -0.01394049 -0.12283616 -0.00115760 0.05448330 0.01531431 0.01674395 -0.00085183 +C 4.96793136 7.06138340 6.00096696 -0.00097713 -0.00166441 0.00075180 0.04029803 -0.04716998 -0.00498985 0.00929688 -0.00789630 0.00002090 +H 4.25807047 8.63002880 7.24225775 -0.01916852 -0.00158262 0.02663062 -0.12594929 -0.03329470 0.11652648 -0.01117705 -0.00309508 0.00481511 +C 4.62270846 5.77880906 5.41663306 0.00187257 -0.00659608 -0.00331850 0.01348695 -0.01738896 -0.03322965 0.00011897 0.00094092 -0.00604257 +N 6.30469007 7.54787086 5.99127889 0.00515719 0.00243822 0.00098520 0.04079673 -0.00313044 0.00182472 0.00520337 -0.00422186 -0.00045085 +C 3.31643303 5.33055477 5.29680232 -0.00997786 -0.00620797 -0.00859315 -0.05199897 -0.02733475 -0.04848202 -0.00226471 -0.00156390 -0.00457936 +H 5.34875517 5.16704564 4.86015008 0.00370584 0.01482738 0.00848731 0.10708306 0.03301725 0.06793988 0.02124509 -0.01292087 0.00467365 +C 7.48968328 6.84354700 5.87758421 0.00575616 -0.00838949 0.00385392 0.00523704 -0.01951989 0.02859790 -0.00261533 0.00706858 0.00398901 +H 6.42550954 8.54210552 6.03841653 0.00929612 0.01323866 -0.01926119 0.02641010 -0.00524933 -0.09301796 -0.00099854 -0.01187618 -0.00552219 +O 7.53920392 5.58575880 5.87193006 -0.00194674 0.00555695 0.00020201 -0.00439112 0.03982231 0.00187159 0.00089635 0.00357580 0.00046479 +C 8.74132186 7.71494306 5.73539405 0.00303480 0.00471952 -0.00138682 0.02086435 0.02677326 0.00375586 0.00134615 -0.00158956 0.00177707 +H 8.92547618 8.34474731 6.64512706 0.01094778 0.02838433 0.00851381 -0.00090473 0.05867459 -0.11553037 -0.00229096 0.00590920 -0.01046183 +H 9.64919440 7.13133803 5.62525310 -0.00754843 -0.02141192 0.00393654 -0.07679382 -0.10852601 -0.00353192 -0.01046349 -0.00037342 -0.00355060 +H 8.63741066 8.36848040 4.82320614 -0.00714659 0.00232540 -0.00127691 -0.00571407 -0.02758130 0.04079188 0.00461845 0.00260669 -0.01081330 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.06281074 5.81476551 5.96229821 0.00591478 0.00165633 0.00093971 0.00853439 0.01932949 0.00113667 -0.00306002 0.00079395 -0.00008245 +C 2.33125491 6.11258474 5.82639635 -0.00383308 0.00490645 -0.00703181 0.03758352 -0.00091888 -0.01303006 0.01065933 -0.00512967 0.00322615 +H 0.84135560 4.94019612 6.18832540 0.00976894 0.01994772 -0.02195852 0.07123465 -0.05915145 -0.08660009 0.01687462 0.01041732 -0.01157834 +C 2.72685764 7.29512643 5.22090834 0.00653040 -0.00643243 0.00756171 0.00642407 -0.00342506 0.01931829 -0.00249562 0.00604985 -0.00257916 +H 3.01850323 4.35916143 6.92131342 0.03208971 0.00111587 0.00402517 0.23345453 0.03461086 0.04225897 0.01401916 -0.00660197 0.01232422 +C 4.00279398 7.73295852 5.06581894 0.00518474 -0.00305318 -0.00030536 0.06304089 -0.03919133 0.02477189 0.00885900 -0.00592795 0.00621454 +H 1.99879344 7.97612380 4.82973246 0.00790346 -0.00704184 0.00283094 -0.03954537 -0.05285433 0.02005978 -0.01572138 -0.00486756 0.00258768 +C 5.02796457 6.94134236 5.63854107 -0.00143220 -0.00397220 0.00583092 -0.02005293 -0.02468931 0.04146654 -0.00060336 -0.00170251 0.00510369 +H 4.24714231 8.70424908 4.66118143 0.01676627 -0.01580202 0.02165001 0.06595391 -0.01644675 0.01301046 0.00157085 -0.00148657 -0.01303002 +C 4.66876597 5.72937117 6.34419956 -0.00270240 0.00390391 0.00049809 -0.01339762 0.01382082 -0.00000843 -0.00230105 -0.00000179 -0.00055247 +N 6.27191625 7.48384163 5.60387073 -0.00042658 0.00231575 -0.00560261 0.01147130 -0.01655061 -0.02715310 0.00266569 -0.00546186 -0.00232605 +C 3.34879152 5.30775851 6.43573587 0.00255126 -0.00017429 0.00009201 -0.01779274 0.01252323 -0.02038148 -0.00346315 0.00379855 -0.00521053 +H 5.31865006 4.98509815 6.82834759 -0.00377415 -0.00085514 -0.01165413 0.06270700 0.10043755 -0.06829779 0.02140001 0.01276743 0.00265158 +C 7.39730153 6.84343898 6.03828075 -0.00268406 0.00040886 0.00093246 0.00459372 0.01960239 0.01311754 0.00232349 0.00346625 0.00229722 +H 6.28871061 8.40293113 5.21557236 -0.02051414 -0.01146415 -0.00136126 0.01229601 0.02736757 -0.02280284 0.02251090 -0.00519318 0.00335285 +O 7.48970610 5.69255357 6.48877125 -0.00634764 0.00082929 -0.00038418 -0.04656092 0.01096667 -0.00966971 -0.00613483 0.00245442 -0.00218022 +C 8.71427616 7.67117471 6.13370438 -0.00317802 -0.00083251 0.00156966 -0.04934871 -0.00655660 -0.01282292 -0.00969662 0.00045118 -0.00320920 +H 9.42848803 7.39349527 5.32199459 -0.00866684 0.02841050 -0.00503990 -0.04115321 0.10438398 0.01821393 0.00294624 -0.00159118 -0.00842685 +H 8.53339083 8.73419819 5.96664291 -0.02530342 -0.01788277 -0.00211437 -0.18907543 -0.02127947 0.05178403 -0.02188359 0.00882688 0.01803913 +H 9.07119705 7.52347238 7.16607263 -0.00067521 -0.00555689 -0.02634334 0.13660879 -0.02435898 -0.07963123 0.02807391 0.00010573 -0.00072151 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96003712 5.72021826 5.62426948 0.00016281 -0.00077162 0.00973643 0.01366486 -0.00565292 0.06522648 0.00114062 -0.00124066 0.01046956 +C 2.33223253 5.97883160 5.69637363 -0.00467118 0.00330126 -0.00177996 -0.02640121 0.02411689 -0.01869801 0.00062660 0.00369691 -0.00192862 +H 0.53127517 5.68676477 6.43080320 -0.00079280 -0.02150937 -0.00478800 -0.00539665 -0.15795772 0.08275082 0.02316282 -0.01764228 -0.00897657 +C 2.92121023 6.43844214 4.51360511 0.01257352 -0.00272786 -0.00920105 0.05185312 -0.01560729 -0.04186464 0.00001033 -0.00082068 -0.00435101 +H 2.73797372 5.75875724 7.88645838 -0.00309048 0.01158864 0.01091820 -0.09503047 -0.01371119 -0.04574412 -0.02524106 -0.01833247 -0.00326422 +C 4.18132540 6.97790228 4.56949806 -0.00059800 0.00175142 -0.00478974 0.05430111 0.03450344 -0.01744330 0.01395776 0.00736894 -0.00133695 +H 2.34912113 6.59695248 3.66045514 0.01974510 0.01525777 0.00048750 0.05360992 0.02489142 -0.12763849 0.01523906 -0.01682972 -0.00379477 +C 4.99401855 6.93287661 5.74477153 0.00211288 0.00263515 0.00332126 0.00944410 0.01246937 0.00368422 -0.00004911 0.00093516 -0.00265101 +H 4.62044127 7.53993575 3.78302140 -0.00845699 0.01593526 -0.01164780 -0.09940717 -0.00262303 -0.13408876 -0.01151666 -0.01842684 -0.01170614 +C 4.46155680 6.39030809 6.91444743 -0.00448259 -0.00164265 -0.00729297 -0.04317827 -0.01332120 -0.03342548 -0.00630102 -0.00202290 -0.00072841 +N 6.31567870 7.39544466 5.67920620 -0.00322239 -0.00069585 0.00576346 -0.00743224 0.00425917 0.02167121 0.00294573 0.00194257 -0.00026771 +C 3.11142397 5.97147614 6.87349963 -0.00146414 -0.00071468 0.00264014 -0.02365547 -0.00259711 0.02813606 -0.00673020 0.00041716 0.00079645 +H 4.97027935 6.39628544 7.85271902 -0.01380007 -0.00533431 0.01098920 -0.04692671 -0.04714518 -0.02951306 0.00013205 -0.00713235 -0.02141389 +C 7.44317699 7.01794863 6.30089876 0.00235528 -0.00470404 -0.00012578 0.03143230 -0.03728588 -0.01120004 0.00309270 -0.00526480 -0.00284853 +H 6.50450540 7.99504315 4.94005938 0.00742372 -0.00293651 -0.01872880 -0.00421787 -0.08576440 -0.06299503 -0.01053343 -0.02582744 0.01200427 +O 7.52230990 6.34841367 7.33258343 -0.00172511 0.00001932 0.00324379 -0.01613270 0.00181792 0.01949315 -0.00234074 0.00041108 0.00211412 +C 8.79328854 7.34136326 5.53050698 -0.00095735 0.00130956 -0.00337114 -0.03057575 0.01559437 -0.00542569 -0.00404647 0.00228294 0.00047083 +H 9.62834822 7.21752777 6.16997682 -0.00043286 -0.01501324 0.00202748 0.00041298 -0.12417084 -0.00066551 -0.01729186 -0.00936231 -0.01579928 +H 8.87053619 6.71236906 4.66344294 0.01752036 0.02642761 -0.02419349 0.09595349 0.18227492 -0.12484566 -0.00027608 0.02525073 0.00578261 +H 8.79685885 8.40063384 5.30952642 -0.00655221 0.00662944 -0.00572107 -0.03323530 0.01292702 -0.05634555 -0.00224007 -0.00408030 0.00102582 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02209467 5.72189325 5.96427623 -0.00079404 0.00103000 -0.00038050 -0.01227515 0.01416211 -0.01224047 -0.00367840 0.00151805 -0.00128614 +C 2.35425571 6.08378496 6.01528447 -0.00984343 -0.00488681 0.00354914 -0.07620927 -0.04363356 -0.01260560 -0.00505226 -0.00690177 -0.00485767 +H 0.58829132 6.07806563 5.16534745 0.00577589 0.02092950 -0.00647012 0.04687637 0.08633204 0.04437320 -0.01210729 0.01998091 -0.01492153 +C 3.02423917 5.69036130 7.13142681 -0.00712596 0.00100161 0.00276914 -0.02669537 -0.00989711 0.04945004 0.00042888 -0.00234617 0.00774383 +H 2.45982486 6.62715203 3.88668026 -0.02227204 -0.00469212 -0.01196413 -0.01542122 0.04454192 0.11470293 0.01705002 0.01516533 0.02504751 +C 4.38328545 5.89634161 7.24164120 0.00418900 0.00147341 -0.00901167 0.04047086 0.02065896 -0.07444041 0.00323263 0.00331615 -0.01049333 +H 2.57442274 5.11918832 7.91537668 -0.00129774 -0.02539202 0.02331250 -0.03642919 0.03154353 0.05348464 -0.00874968 0.02892000 -0.00006419 +C 5.09155782 6.42700961 6.07660339 -0.00071845 0.00592625 -0.00260565 -0.00331439 0.04303512 -0.00029490 0.00109111 0.00650740 0.00125359 +H 4.86526442 5.66821539 8.19016606 0.03217188 0.00763332 0.00708986 0.12658146 0.02820008 -0.17369180 0.01002238 -0.00453656 -0.03594666 +C 4.38851879 6.82684797 4.87340484 0.00434674 0.00338048 0.00430906 0.01627683 0.01088688 0.03607059 0.00031953 -0.00031434 0.00400398 +N 6.46385745 6.56937750 6.28642255 -0.00088612 0.00037629 -0.00220136 -0.01191141 0.00795525 -0.01851559 -0.00142493 0.00160967 -0.00145581 +C 2.97612260 6.56116028 4.83361735 0.00848231 -0.00788648 0.00211597 0.05472977 -0.05226022 0.01891702 0.00401299 -0.00702879 0.00517515 +H 4.88174653 7.29242644 4.04977237 0.00198515 0.00021580 -0.01986789 -0.00861012 -0.08897216 -0.03185872 -0.00351758 -0.02133255 0.01675054 +C 7.40253880 7.26818339 5.63947137 -0.00098783 -0.00070876 -0.00158712 0.00107522 0.00896476 -0.00138230 0.00085473 0.00263807 0.00258355 +H 6.76042127 6.19540159 7.15952709 -0.01173284 0.01210860 -0.00796464 -0.00582742 0.02443270 0.02428570 0.00317759 0.00205581 -0.00552912 +O 7.21674371 7.89264695 4.59718496 0.00324397 0.00011996 0.00357428 0.02042668 0.00008118 0.01722848 0.00246558 0.00035874 0.00059171 +C 8.74987291 7.43925358 6.36009843 -0.00255777 0.00084503 0.00503512 -0.01731035 -0.00311328 0.02085407 -0.00109519 -0.00159189 -0.00094140 +H 9.44195619 6.65809721 6.12318825 -0.00689558 -0.02177784 -0.03468408 -0.11882901 -0.01843809 -0.17204923 -0.02765964 0.02015784 -0.00809683 +H 9.17627887 8.39688202 6.20307574 0.01115840 0.01520328 -0.02886903 0.02118807 -0.03185188 -0.15954436 -0.01112702 -0.03494956 -0.00415525 +H 8.51599522 7.41042183 7.43124158 0.01476357 -0.01751856 0.00481301 0.15740030 -0.11023968 0.04267730 0.02677203 -0.00944396 0.00493141 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96814589 5.71398934 5.90363307 -0.00098426 -0.00000152 -0.00321700 -0.02524463 -0.00917004 -0.02262521 -0.00349050 -0.00231416 -0.00014879 +C 2.28387444 5.94138050 5.95877911 -0.00041980 0.00530589 0.00506702 0.02192072 0.03499309 0.03236768 0.00380623 0.00383640 0.00297916 +H 0.54410157 5.75612130 5.04630292 -0.03725550 -0.02299349 -0.01174368 -0.07491611 -0.12114865 0.05409940 -0.00134213 -0.01117357 -0.01457305 +C 3.07162721 5.62487842 7.09689222 0.00350315 -0.00527998 0.00473456 -0.00971804 -0.02272607 0.01966001 -0.00787368 -0.00339499 0.00603398 +H 2.44043316 6.61061048 3.94295130 -0.02310902 -0.01243759 -0.01264415 -0.04820625 0.04207392 0.05667004 0.01179780 0.02204872 0.02767649 +C 4.39274794 5.99131436 7.20866000 -0.00277157 0.00614308 0.00065165 -0.00553456 0.02912683 0.05187873 0.00018752 0.00230010 0.00973649 +H 2.65904672 5.23713701 7.93392697 0.00402923 -0.00838511 -0.02046192 -0.11785650 -0.17590335 0.05189791 -0.00375425 -0.00930394 -0.01854841 +C 5.10172346 6.58050744 6.22976901 -0.00443697 -0.00594539 -0.00141242 -0.02325869 -0.01460246 -0.07099893 0.00052282 0.00120374 -0.01356194 +H 4.87251299 5.89061894 8.18187827 0.00285845 -0.00149022 0.00680207 0.00750236 -0.08195259 -0.00879484 0.00773992 -0.01995003 0.00600248 +C 4.32317886 6.84229232 5.01848130 0.00514125 0.00541055 -0.00468786 0.05009558 0.04097830 -0.03119731 0.00425044 0.00437547 -0.00463778 +N 6.47135045 6.82776237 6.40088728 0.00420063 -0.00566843 -0.00214306 0.00112828 -0.03908992 -0.01277599 -0.00487664 -0.00601580 -0.00036970 +C 2.94150500 6.53354054 4.87451412 0.00032246 0.00000171 0.00403304 0.01804443 -0.00317043 0.01472805 0.00629785 0.00042540 0.00017830 +H 4.86613248 7.33477780 4.20489568 0.00980570 0.01096418 -0.01819978 -0.02692640 -0.02275869 -0.06248827 -0.00304471 -0.00633244 -0.01178280 +C 7.41658515 7.35428678 5.60762915 -0.00274043 -0.00200942 -0.00000455 -0.00436989 -0.02578378 0.01311247 0.00212694 -0.00418035 0.00275004 +H 6.85517219 6.55070428 7.25364244 -0.00496129 0.00448758 0.01559400 -0.06596895 0.01713142 0.06372621 -0.01829692 0.00476761 -0.01724863 +O 7.31211837 7.78927644 4.47892986 0.00134260 -0.00097762 0.00228779 0.00164395 -0.00324086 0.00816415 -0.00093326 -0.00021477 0.00044645 +C 8.75982335 7.21165358 6.28323599 -0.00167806 0.01080380 -0.00037599 0.00043116 0.05705794 0.00667291 0.00227355 0.00707776 -0.00047447 +H 9.57784783 7.69570763 5.76261531 0.01805303 -0.02518200 -0.00271054 0.06518690 -0.17010197 -0.07537530 -0.00858717 -0.01836093 -0.01380760 +H 8.66906552 7.76151183 7.25724556 0.01363557 -0.00264824 -0.00052066 0.12402650 -0.01396152 -0.00035633 0.01912209 0.00953966 0.01633288 +H 8.96783208 6.13133586 6.52372606 -0.01041542 -0.01995254 -0.00697766 -0.07124612 0.12439849 -0.10394952 -0.00377868 0.01375810 -0.00943080 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02275938 5.77360683 5.84850841 0.00385524 -0.00221089 0.00317712 -0.01154727 -0.02363819 0.02203053 -0.00612071 -0.00532118 0.00307972 +C 2.28872474 6.10854675 5.88256369 -0.00497293 -0.00273105 -0.00753080 0.01508460 0.02149985 -0.02408661 0.00614576 0.00824969 0.00125772 +H 0.73957723 4.91132212 5.76956573 -0.00070437 -0.01027932 0.00401859 0.10686613 -0.06889530 -0.00032089 0.03169491 0.00740740 -0.00246621 +C 2.63984978 7.33562771 6.53535576 0.00795294 -0.00220245 0.00597770 0.02514028 -0.02836553 0.03110578 0.00103955 -0.00652761 0.00127046 +H 3.06108249 4.37343324 4.75982115 -0.01726563 -0.00772497 -0.00864478 -0.05864041 0.06420587 0.07163755 -0.01071923 -0.01540404 0.00292753 +C 3.97562904 7.77891835 6.54837456 -0.00354918 0.00291916 -0.00716464 -0.00739625 0.02280964 -0.06085572 0.00150243 0.00429545 -0.00890639 +H 1.85093938 7.93846094 7.01157317 0.00104940 0.00721837 0.02125623 0.11355355 -0.03126222 0.04785088 0.00838648 -0.00330810 0.00483087 +C 4.96330987 6.95586305 5.94635374 0.00090606 0.00224101 -0.00213604 0.03510881 0.03662980 0.00835302 0.00422973 0.00513791 0.00268549 +H 4.27662668 8.73092392 6.91465280 -0.01323690 0.02735679 -0.00877301 -0.15108437 0.04478656 -0.01887082 -0.02250067 -0.01718740 -0.00059490 +C 4.66812588 5.74656968 5.36554583 -0.00158207 0.00123452 -0.00008852 -0.05228633 -0.00795782 0.00107139 -0.00857599 -0.00416870 -0.00071153 +N 6.32177298 7.39890423 6.08819412 -0.00437328 0.00152575 -0.00108352 -0.04374884 0.01590272 -0.01505111 -0.00334943 0.00064186 -0.00315718 +C 3.31799286 5.31745271 5.32158186 -0.00848986 0.00181140 -0.00065586 -0.05199132 0.00105250 -0.02386882 -0.00422541 0.00199094 -0.00410638 +H 5.39103541 5.09487498 4.99203979 -0.02692961 0.00558288 0.00606923 0.00567728 -0.05164892 -0.06671925 -0.00513752 0.00731103 -0.00559085 +C 7.48989013 6.81336524 5.84758295 0.00261391 -0.00378346 0.00922897 0.01120517 -0.02056979 0.06586799 0.00029722 -0.00246746 0.00801854 +H 6.37742214 8.40217551 6.31932924 0.00697717 0.01129361 0.00614686 0.04095496 -0.05757874 0.03604164 0.00095634 0.00488201 0.01064935 +O 7.70352730 5.63485288 5.60912792 0.00220477 -0.00883530 -0.00329274 0.01071776 -0.05406249 -0.02154869 0.00056505 -0.00485516 -0.00211020 +C 8.60870849 7.78522902 5.97746189 0.00802998 0.00900015 0.00461945 0.06793616 0.03546214 -0.00257279 0.00741019 0.00468020 -0.00251932 +H 9.18758660 7.52220739 6.87114069 -0.00138356 0.00102671 -0.00984372 0.04880459 0.13385180 0.04973112 0.01471603 0.03107332 0.01506995 +H 9.27541512 7.55150315 5.12436380 0.00986047 0.01527035 -0.02007815 0.01675519 0.12778844 0.00757300 0.01115087 0.01522276 0.00265705 +H 8.31853152 8.76517018 5.78736959 -0.00461118 0.00322389 -0.00007308 -0.01180148 0.12941586 0.13398405 0.01295283 -0.01073850 0.03688338 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97614760 5.88660718 5.93455765 0.00157623 -0.00050932 -0.00226373 0.00868321 -0.00716945 -0.02180089 0.00120150 -0.00105757 -0.00302219 +C 2.34745040 6.05404305 5.95831294 0.00115395 -0.00085820 -0.01237441 -0.00365618 -0.01299947 -0.06807618 -0.00104243 -0.00322032 -0.00241846 +H 0.54090665 5.60177938 5.15935947 -0.02851036 -0.02030994 -0.00328558 -0.01768310 -0.05770622 0.04275256 0.01283449 -0.00424346 -0.00320436 +C 2.99277395 5.80925438 7.19333789 0.00030822 0.00434598 0.00154420 0.04348929 0.03327328 -0.01688038 0.00976280 0.00500309 -0.00872631 +H 2.61056716 6.50918006 3.83846137 -0.00306248 -0.00283604 -0.03279515 0.01212774 0.01452772 -0.05620352 0.01688418 0.00534552 0.04168779 +C 4.41478629 5.93625100 7.26385333 0.00974680 -0.00177007 0.00670287 0.04207609 -0.02056800 0.03090971 0.00114501 -0.00410985 0.00325961 +H 2.52934197 5.42369509 8.13026651 0.01404464 0.00769872 -0.01765527 -0.08102768 0.06387072 -0.09062399 -0.03233789 0.00817507 0.00076279 +C 5.14417250 6.37854977 6.11885877 0.00343470 -0.00174231 0.00527142 -0.00745501 -0.01447024 0.04684902 -0.00332707 -0.00196133 0.00808257 +H 4.95412067 5.61138466 8.12449093 0.01476585 -0.01566354 0.01821183 0.00186477 0.01117797 0.07639008 -0.01403342 0.01899660 -0.00212214 +C 4.44273335 6.62466818 4.87312941 0.00590997 0.00468448 0.01084520 0.04964885 0.02647659 0.08025569 0.00377219 0.00265820 0.00868437 +N 6.48870272 6.51710948 6.35473027 -0.00474371 0.00100710 0.00186059 -0.02266398 0.01166344 -0.00526397 -0.00079273 0.00276526 -0.00322657 +C 3.07318341 6.40266375 4.74777490 -0.00243044 0.00361265 0.00059119 -0.01289686 0.02388801 0.01513278 0.00175162 0.00409490 -0.00009838 +H 5.04089704 6.93796195 4.05124094 0.00602917 0.00122485 0.00451939 -0.01355442 0.00630816 0.00234422 -0.00944433 -0.00109124 0.01050659 +C 7.32859837 7.32945836 5.69555376 -0.00285754 -0.00428438 -0.00201037 -0.00300240 -0.01077665 -0.03077560 0.00115206 0.00049864 -0.00520233 +H 6.85315140 5.89731024 7.08412498 -0.01075794 0.00764836 -0.00004702 -0.00718453 0.11664177 0.05298047 0.00953265 0.02000948 0.01844617 +O 7.11532940 8.02095259 4.67328666 -0.00323812 -0.00060732 -0.00224154 -0.03165445 -0.01580040 -0.00154018 -0.00566529 -0.00346399 0.00105439 +C 8.73491736 7.41911329 6.23196421 -0.00171503 -0.00052174 -0.00114043 -0.01115656 -0.00957469 -0.00435975 -0.00071950 -0.00320099 -0.00330675 +H 9.44863614 7.77726670 5.54822904 -0.02714101 0.00297461 -0.01006682 -0.12756393 0.07036559 -0.18460359 -0.02281224 0.00300507 -0.00598966 +H 8.84452936 8.13557861 7.05646445 -0.01306495 -0.00611177 -0.00007569 -0.11985436 -0.08044388 0.05794644 -0.01444114 -0.01479428 0.01650290 +H 9.14384593 6.47461224 6.50300885 -0.02147269 -0.01220102 -0.02551330 -0.12397619 -0.12393674 -0.08955645 -0.01320013 0.00076989 -0.00379006 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.90310461 5.82936430 5.80487667 0.00055456 0.00172671 0.00103629 0.03236476 -0.00673585 0.00909909 0.00816069 -0.00143576 0.00132865 +C 2.27056887 6.09799188 5.81049709 0.00412849 0.00832790 -0.00017437 0.00766025 0.04442760 -0.00400702 0.00003607 0.00160830 -0.00082916 +H 0.84060076 4.90432589 5.94530467 0.01623127 -0.02392131 -0.01084461 0.00724965 0.01075543 -0.09796738 -0.01342171 -0.00076876 -0.01431768 +C 2.60927539 7.45260561 5.62741290 0.00601937 -0.00277361 -0.00340284 0.05105309 0.01121586 -0.02149517 0.00472961 0.00494917 -0.00194968 +H 3.04593478 4.09445814 6.13188510 0.01144597 -0.00986575 0.00052475 0.04231345 -0.02384115 -0.00131284 0.00139714 0.01571742 -0.00473012 +C 3.97829335 7.87234175 5.64862684 0.00033791 -0.00237327 0.00163592 -0.01316907 -0.01906974 0.00788168 -0.00218066 -0.00051540 -0.00010089 +H 1.92030474 8.25903158 5.45449134 -0.00948086 0.00825330 0.02075611 -0.05722683 -0.09160693 0.11784046 -0.00158176 -0.02327905 0.00609489 +C 4.98385650 6.91981960 5.91357069 -0.01313363 0.00351638 0.00211558 -0.04262424 -0.00319857 0.02967410 0.00320601 -0.00432880 0.00673338 +H 4.25826421 8.88437176 5.50033638 0.01003615 0.00413260 -0.01010492 -0.01772400 -0.00968505 -0.04179950 -0.01654819 -0.01536599 0.00265322 +C 4.66313170 5.52015415 6.13252364 0.00035782 -0.00169813 0.00325560 -0.01757068 0.01061285 0.01209991 -0.00555227 0.00528130 -0.00042633 +N 6.28067815 7.46274322 5.98653810 -0.00251653 -0.00092756 0.00706694 -0.01785534 -0.00676126 0.04509811 -0.00371777 -0.00088810 0.00458207 +C 3.28621046 5.12012851 6.00892315 0.00168641 -0.00108403 -0.00539181 0.01766198 0.00443323 -0.02822648 0.00145664 0.00206293 -0.00233303 +H 5.40942074 4.76552616 6.42157677 0.00540778 -0.01109248 0.00030068 -0.01246133 0.03927432 -0.07002668 0.00202231 0.01015568 -0.01285796 +C 7.52031768 6.92417426 5.99548723 -0.00312063 -0.00514074 -0.00892055 -0.02683871 -0.07535123 -0.05430602 -0.00380141 -0.00932038 -0.00556313 +H 6.35520380 8.44208615 6.14760590 -0.01594770 -0.00124863 -0.02153173 -0.11955307 0.03743790 -0.19953255 -0.00890672 -0.00958800 -0.03024722 +O 7.70961249 5.66606269 6.10365890 0.00428065 0.00204058 0.00503817 0.01992573 0.03037005 0.02958591 0.00147044 0.00330605 0.00349571 +C 8.77465749 7.74972037 5.84427491 -0.00356148 -0.00010970 -0.00582533 -0.01501591 0.00788278 -0.01755551 -0.00283273 0.00351234 -0.00508649 +H 9.11278739 7.87890651 4.86752414 0.00899005 0.01163194 0.02010513 0.08398176 -0.04502866 -0.09891258 -0.00524491 -0.01934468 -0.00263228 +H 8.75983702 8.80095456 6.12104570 0.02056450 -0.00837864 0.01067445 -0.01867939 -0.05742419 0.19435511 -0.02566002 -0.01020649 0.03402030 +H 9.54638541 7.19369869 6.49827415 -0.00220839 -0.00050642 -0.00541038 -0.02690056 0.08590992 -0.13851990 0.02558787 -0.00338407 -0.00436928 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00422383 5.64283340 5.94088802 -0.00027023 0.00214533 0.00212651 -0.00622102 0.01820061 0.02170246 -0.00246380 0.00251869 0.00082537 +C 2.29855228 6.05507841 5.94607541 0.00177247 -0.00631542 0.00017536 0.00704600 -0.03936473 -0.02095368 0.00341169 -0.00353084 -0.00509467 +H 0.55039364 5.49364009 5.14869744 0.02082041 -0.00172129 0.01269700 0.11509828 0.00720879 -0.08129396 0.02513634 0.00944271 0.00875358 +C 3.03752174 5.68045422 7.01957587 0.00446329 0.00541094 -0.00050883 0.03525449 0.00630186 0.04727490 0.00267894 -0.00349535 0.01092220 +H 2.42747246 7.09941599 4.01168434 -0.03072250 0.00343497 0.00619217 -0.15333961 -0.07202156 0.04456705 0.00109481 -0.01487767 0.00123419 +C 4.43544819 5.91120112 7.20967964 0.00092068 -0.00019259 -0.00310576 -0.00480622 0.00047575 -0.01425008 -0.00264561 0.00052080 -0.00185188 +H 2.49252292 5.14086813 7.74994453 -0.00237552 -0.01563512 0.00272381 0.07278835 -0.02915536 0.05404951 0.02270355 0.01085103 0.01198148 +C 5.09389062 6.54404859 6.17586108 0.00041980 -0.00548440 -0.00420164 0.02988804 -0.05431348 -0.03126821 0.00559649 -0.00964548 -0.00404524 +H 5.06670970 5.64314270 8.07698358 -0.00653159 -0.00065302 0.02156944 -0.22550172 -0.03603166 0.03626245 -0.03128318 -0.01208818 0.00592161 +C 4.36294417 6.87547241 5.00833783 0.00640313 -0.00182499 0.00405954 0.01206926 0.00338747 -0.00683072 -0.00182337 0.00325601 -0.00684206 +N 6.51235282 6.58345906 6.29941265 -0.00275843 0.00029474 0.00500749 -0.03797905 0.01001553 0.03551521 -0.00717307 0.00389874 0.00248382 +C 2.91383379 6.67413029 4.88644318 -0.00124722 0.00641650 -0.00661333 0.03935803 0.05463940 -0.03205414 0.00823257 0.00607440 0.00024227 +H 4.92509261 7.30440713 4.20729811 0.00560752 0.00392508 -0.01120732 -0.05603670 0.01488705 -0.03746753 -0.01463521 0.00129183 0.00184395 +C 7.39561703 7.32393461 5.64696269 -0.00733851 0.00155160 -0.00133972 -0.02286840 -0.01387798 0.00874522 0.00066001 -0.00540060 0.00352227 +H 6.93335999 6.05084624 7.10032455 0.00002794 -0.00910713 -0.00300812 -0.06364441 0.00163504 -0.03054960 -0.00380514 -0.00844250 0.02324265 +O 7.21413425 7.78567713 4.53218962 0.00148285 -0.00115744 0.00204486 0.01028848 0.00271384 0.00818094 0.00110439 0.00171351 0.00034121 +C 8.75949783 7.39479355 6.38975008 -0.00214396 -0.00090670 -0.00454864 -0.02840305 0.00957836 -0.02675802 -0.00219217 0.00238707 -0.00328855 +H 9.30129816 6.49191292 6.44001869 0.01438824 0.03362946 0.01089073 0.08073152 -0.02087939 0.02647559 -0.01572975 -0.00730016 -0.00708365 +H 9.41581053 8.05539161 5.88218139 -0.00552137 -0.01437784 0.00710106 0.01397903 0.06715756 -0.04319985 -0.01165193 0.01513725 -0.00408211 +H 8.67417820 7.75154453 7.40553509 -0.01533189 -0.00324325 0.00888959 -0.12564880 -0.00864585 -0.02994890 -0.01642636 0.00181470 -0.01815734 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99376228 5.78356360 5.92749393 0.00633981 -0.00415509 0.00454193 0.03645644 -0.02153939 0.02663947 0.00422515 -0.00280576 0.00391419 +C 2.32841405 6.05378375 6.01567855 0.00418020 -0.00143168 -0.00218628 0.01261265 -0.01523398 -0.03422626 -0.00088357 -0.00350509 -0.00591784 +H 0.57312459 6.22008730 5.21416312 -0.01004705 0.01795802 -0.00215640 0.00782114 0.02557759 0.11406905 -0.00096796 0.00294371 0.01483366 +C 3.10685764 5.53172236 7.05118031 -0.00814539 0.00464759 -0.00299913 -0.05029172 0.01643050 0.00995785 -0.00519492 0.00078630 0.00456462 +H 2.40243296 7.05154740 4.12451400 0.00140558 0.00662643 0.00388840 -0.04358365 0.09679641 -0.03359423 0.00412483 0.00402806 0.01873982 +C 4.48673902 5.72996977 7.13210806 -0.00631373 -0.00397784 0.00745682 -0.04122601 -0.01324903 0.03799133 -0.00720620 0.00133336 -0.00078041 +H 2.66930939 4.95102807 7.87589805 -0.01680380 0.00774172 -0.00944057 -0.17670353 0.06878307 -0.07334917 -0.03405804 0.00278435 0.00311578 +C 5.11305623 6.43654937 6.10476818 -0.00210081 -0.00568548 -0.00078650 -0.02249893 -0.04779223 -0.00572017 -0.00292883 -0.00680852 -0.00102073 +H 5.07170625 5.41186809 8.05548733 0.01295041 0.00689250 -0.00753043 -0.01722516 -0.02131300 -0.08436443 0.00005802 -0.02476385 0.01998101 +C 4.33362403 6.86708858 5.01373083 0.01142006 0.00714725 -0.00510663 0.05675961 0.06756128 -0.04284544 0.00080423 0.00865489 -0.00297115 +N 6.43472113 6.67416648 6.29252979 -0.00101208 -0.00670954 0.00180850 0.00255817 -0.03642358 0.01952617 0.00152265 -0.00392819 0.00499451 +C 2.95368297 6.72655684 4.94389459 -0.00700530 0.00059284 -0.00070983 -0.01557811 -0.00050580 0.00451912 0.00479627 0.00261770 -0.00289948 +H 4.73625364 7.49758827 4.18519216 0.00829567 0.02453583 0.01118417 0.15300420 0.07832719 0.08351784 0.03747618 0.01173636 -0.00814890 +C 7.36702578 7.31133240 5.60044557 -0.00408953 0.00693936 0.00128774 -0.00993220 0.02326605 0.06468276 0.00081732 0.00087911 0.01070587 +H 6.75403879 6.42988670 7.19825675 0.01278551 0.00403569 0.00142732 0.05208377 -0.02117424 0.02302236 -0.00558278 -0.00981059 -0.00406060 +O 7.33235243 7.67262846 4.51151528 0.00158058 -0.00234397 -0.00053129 0.00005499 -0.00236363 -0.04608768 -0.00150919 0.00074807 -0.00904283 +C 8.61292620 7.55233873 6.43911121 0.00298370 -0.00009283 -0.00200600 0.01970089 0.00146664 -0.02862453 0.00463300 0.00342966 -0.00409646 +H 8.71129621 6.97132374 7.33203433 -0.00925600 0.01189847 -0.00197649 -0.10438609 0.09995675 0.09373949 -0.01114631 0.02208303 0.00317535 +H 9.46792055 7.19078343 5.90828017 -0.01039580 0.02217355 -0.00723478 0.04099801 0.09767296 -0.15537481 0.00308682 0.00376827 -0.01642351 +H 8.70737613 8.58367793 6.54710704 0.00750062 -0.00245858 -0.01677697 0.07412099 0.08027146 0.00135021 0.00425963 -0.01355003 0.00956939 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99641830 5.74534551 5.98484649 -0.00288622 0.00599304 -0.00102373 -0.01545992 0.03040979 -0.01666097 -0.00213319 0.00526854 -0.00269561 +C 2.30420000 6.15871584 5.88957951 -0.00375046 -0.00545179 0.00373020 -0.02795212 -0.02196785 0.03130316 -0.00136685 -0.00205004 0.00414688 +H 0.92633076 4.83203932 5.66542554 0.00448811 -0.01169491 -0.00194846 -0.02676514 0.05467647 0.05691507 -0.01542535 -0.01706421 0.00362561 +C 2.61279460 7.51364814 6.14653908 -0.00609303 0.00017014 0.00009574 0.01814258 -0.02160851 -0.00154943 0.01244685 -0.00662900 -0.00090814 +H 3.03246978 4.25151521 5.23649198 -0.00278730 0.00659224 0.00022976 -0.02970917 -0.10023318 0.07474153 -0.00307145 -0.03456911 0.01602351 +C 4.01150767 7.80837016 6.23064478 0.01462628 0.00128799 0.00254937 0.02717473 0.02161448 0.03694978 -0.00963506 0.00491138 0.00728357 +H 1.81078484 8.26730597 6.40602700 0.01080424 -0.00998054 -0.03295178 0.02936368 -0.01455730 -0.18649572 -0.01312329 0.01633161 -0.01211725 +C 5.02601426 6.85018024 6.03097492 -0.00965583 0.00352196 0.00099882 -0.03562192 0.01240610 -0.00244664 0.00342560 0.00042910 -0.00067966 +H 4.31064507 8.74437888 6.67018595 -0.01009392 0.00951029 0.00900079 -0.05038689 0.08394112 -0.04911163 0.00124287 0.00930325 -0.02194047 +C 4.68347444 5.53067411 5.54947290 -0.00188698 0.00152249 -0.00309381 -0.00857299 0.03341663 0.01124565 -0.00366302 0.00613115 0.00528236 +N 6.28927908 7.33894634 6.31081171 0.00286936 -0.00154084 0.00549841 0.01990699 -0.03273984 0.01516964 0.00112909 -0.00602717 -0.00115073 +C 3.31855367 5.23518424 5.61759695 -0.00098142 -0.00958493 -0.00099752 -0.01466011 -0.06743160 -0.03068086 -0.00371506 -0.00659920 -0.00591338 +H 5.46488557 4.78891170 5.38045817 0.00576983 -0.01438783 0.00007363 -0.08852942 0.01058061 -0.03690377 -0.01321489 0.01208858 -0.00979454 +C 7.45353104 6.85367796 5.86629059 0.00097099 -0.00047503 -0.00829826 0.02271372 0.01425535 -0.04827392 0.00429857 0.00518532 -0.00382205 +H 6.42238979 8.24806331 6.69833236 0.00079400 -0.00871436 -0.00823785 -0.06047060 0.00203615 0.04576902 -0.01332921 -0.01379849 0.01185344 +O 7.63210903 5.89176572 5.11638492 0.00554542 0.00344679 0.00382287 0.03103707 0.01177430 0.02276538 0.00353869 -0.00107088 0.00166010 +C 8.68384427 7.69677902 6.18969654 -0.00187038 -0.00037883 -0.00200728 -0.02189221 -0.00361948 0.00031992 -0.00164247 -0.00055857 -0.00131305 +H 8.56717869 8.23995158 7.18020425 -0.01062965 -0.00519035 -0.00705251 -0.09894336 -0.00405887 -0.09675405 -0.01818258 0.01877249 0.01010826 +H 9.52885923 7.02351412 6.38194148 0.00895454 0.02818818 -0.00385224 0.10406039 0.15915690 -0.10529121 0.01160335 0.00946808 -0.01550469 +H 8.74901787 8.41174213 5.35908730 0.01358228 -0.01087616 0.00758597 0.18210279 -0.01369975 0.02676905 0.02373220 0.00682247 0.00159740 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04233789 5.63684262 5.72781810 -0.00024242 -0.00170530 0.00517355 -0.02644218 -0.01549593 0.04164264 -0.00534821 -0.00200142 0.00648715 +C 2.28519578 5.99064486 6.01274378 0.00244576 0.00251719 -0.01008920 0.03879612 0.01995610 -0.06518742 0.00523040 0.00039600 -0.00464000 +H 0.56242541 6.09967931 5.09197788 -0.01458226 0.00863892 -0.00077079 0.01185894 0.02305722 0.04991092 0.01142567 -0.00188023 0.01237469 +C 3.03462971 5.52843831 7.09694967 0.00620337 0.00421824 -0.00159907 0.01344224 0.01006307 -0.01588321 -0.00113489 -0.00167588 -0.00284338 +H 2.43778086 7.25819736 4.21276303 -0.02910132 -0.00726502 -0.01401698 -0.10422731 -0.18263751 -0.00016535 -0.00607763 -0.02483694 -0.00425321 +C 4.38644881 5.73086234 7.12749800 0.00381088 -0.00494378 0.00505789 0.05169265 -0.01378110 0.03994156 0.00913729 0.00117591 0.00538132 +H 2.61784870 4.93371737 7.86510099 0.01261057 -0.00685776 0.00303185 0.00367711 -0.04568655 -0.02987008 -0.00844117 0.00314119 -0.02057897 +C 5.08050199 6.57053973 6.23241443 -0.00447943 0.00205675 -0.00126920 0.00047248 -0.01026886 -0.00966102 0.00454082 -0.00548172 -0.00032627 +H 4.90172941 5.22955986 7.94044575 -0.00922962 -0.00480061 -0.00833164 0.05596755 -0.03522768 0.04304243 0.02236409 -0.00144120 0.01622639 +C 4.29591294 7.01377129 5.11646153 0.00048618 -0.00793706 0.00298739 0.03128915 -0.02626928 0.01270104 0.00523345 0.00156672 -0.00122838 +N 6.51957923 6.73128341 6.40695765 -0.00217049 0.00325217 -0.00547876 -0.04750293 0.03040816 -0.04672983 -0.00956454 0.00480405 -0.00682249 +C 2.95472330 6.74670844 5.02867264 -0.00199403 0.00459475 0.00379508 -0.03454305 0.04710624 0.00293680 -0.00374901 0.00797168 -0.00289651 +H 4.70416801 7.59476114 4.33315898 0.00401435 0.00768470 -0.00735227 0.05680300 -0.00705423 0.03197837 0.01022433 -0.01379583 0.01764029 +C 7.43484446 7.31585297 5.61859376 0.00465015 -0.00175505 -0.01015697 0.00847694 -0.01877517 -0.04532943 -0.00265799 -0.00388883 -0.00029846 +H 6.92178262 6.48898870 7.28885403 -0.01639835 0.00593278 -0.00105196 -0.13438516 -0.01299134 -0.00645927 -0.01973784 -0.00362002 -0.01307968 +O 7.20252278 7.76785412 4.49973997 -0.00019875 0.00220867 -0.00150875 0.00554893 0.01883591 -0.01725035 0.00213590 0.00329236 -0.00392561 +C 8.79864176 7.37242429 6.25624866 -0.00231169 -0.00539953 0.01338896 -0.00654947 -0.02359868 0.08117324 -0.00039831 -0.00490810 0.00650375 +H 9.61963316 7.73549676 5.64463360 0.00098492 0.00133795 -0.00417314 -0.11277039 0.04344164 0.01548630 -0.02349514 0.00752663 0.00944980 +H 8.76000107 7.92692139 7.23192518 -0.00469492 0.02506835 0.02214997 -0.00321442 0.00530196 -0.02522715 0.00022446 -0.00499963 0.00055963 +H 9.05758285 6.34981087 6.35205930 -0.01143210 -0.00369912 0.00327877 -0.01023410 -0.07826272 0.17525719 0.00435087 0.01038212 0.03995385 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04651791 5.70789944 5.77535053 0.00066112 0.00824432 0.00463753 -0.01005185 0.03517774 0.03340427 -0.00322148 0.00392751 0.00465394 +C 2.30701748 6.12467380 5.86978687 -0.00419062 -0.00097260 0.00114054 0.01080904 -0.00513442 0.00897067 0.00599209 -0.00114244 0.00064820 +H 1.03998744 4.77409774 5.89238531 0.00956426 -0.01559954 0.01052603 -0.01820773 0.06620475 0.01702384 -0.01572574 -0.00013498 -0.00170314 +C 2.56864683 7.41354651 6.35569818 0.00256896 0.00019576 -0.00458579 0.02402954 -0.02488188 -0.04064215 -0.00144907 -0.00304561 -0.00508519 +H 3.10031519 4.24405256 5.08348484 0.00103516 -0.01787702 -0.00717497 0.12468737 0.06473626 0.11297604 0.01213480 -0.02181634 0.01114131 +C 3.91206282 7.78057523 6.43734506 -0.00772064 -0.00838871 0.00318261 -0.01303547 -0.03727086 0.02559009 0.00684828 -0.00119016 0.00365184 +H 1.85776207 8.08437656 6.67010416 0.01953361 -0.02280716 -0.01938988 -0.12154152 0.03134677 -0.09167595 -0.00299418 -0.00803035 -0.02198224 +C 4.99184776 6.94155095 6.14836886 -0.00028984 -0.00082321 0.00144694 0.01760908 -0.03508866 0.00787420 0.00156659 -0.00795234 0.00084651 +H 4.17133110 8.76785384 6.76335053 0.01026485 -0.02421018 -0.02309152 0.00293892 0.00955114 -0.04880493 -0.01499932 0.01321598 0.00831626 +C 4.72713245 5.60372697 5.71125859 0.00118412 0.00132881 -0.00315848 0.01609854 0.01687258 -0.01761865 0.00169788 0.00270041 -0.00175527 +N 6.35498449 7.35244348 6.39100386 -0.00690142 -0.00399545 0.00255099 -0.06221785 -0.03231347 -0.00588076 -0.00568111 -0.00415666 -0.00415449 +C 3.39437288 5.23887129 5.56175433 0.00264276 0.00540348 -0.00229020 -0.02096066 0.01380976 -0.03401326 -0.00413271 0.00288819 -0.00469501 +H 5.47170395 4.86991366 5.46357035 0.03208373 -0.00948325 0.01329140 0.07576822 0.08097184 0.10439816 -0.00879063 0.02102657 0.00975659 +C 7.42285429 6.94724140 5.70731748 0.00895796 0.00439689 -0.00151709 0.05510146 0.02411347 0.00725106 0.00091138 0.00131828 0.00340766 +H 6.50878313 8.07903778 7.09156392 -0.02257300 -0.00880909 -0.01238391 -0.13140617 0.00083022 -0.01974825 -0.01429500 0.00466657 0.00394911 +O 7.51227605 6.13235742 4.81224911 0.00165837 0.00008684 0.00215550 0.00164981 -0.00216936 0.00492708 -0.00040676 -0.00014776 -0.00034012 +C 8.75022407 7.42910510 6.22988504 -0.00156416 0.00361825 0.00128941 -0.00633775 0.01567582 -0.00304984 0.00128220 0.00311888 -0.00193843 +H 8.53995963 8.34853076 6.79028854 0.00122364 -0.01672568 -0.03761599 0.06594458 0.09747106 -0.05838931 0.01686763 0.03006970 0.01411613 +H 9.09902821 6.59235066 6.86803041 -0.01512495 -0.00476355 -0.01242449 -0.01929648 0.04732761 0.00077662 0.01162204 0.01046286 0.02180815 +H 9.44727688 7.63711283 5.42573334 0.00414951 -0.01313950 -0.00147815 0.02629606 -0.09316660 0.00057055 0.00118368 -0.01231322 0.00248014 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03431045 5.62640460 5.86356441 -0.00036105 -0.00247901 0.00957481 -0.01561458 -0.00524916 0.05603599 -0.00217721 -0.00009514 0.00777390 +C 2.31289180 6.01064830 5.98879006 0.00190832 0.00059638 -0.00266986 0.01533652 -0.00278935 -0.01912768 0.00110805 -0.00266895 -0.00034720 +H 0.58470708 6.15129414 5.21246941 -0.01594005 0.01051625 -0.00251793 -0.04983589 -0.05294647 0.09778030 -0.01718256 -0.00401386 0.00391260 +C 3.06678966 5.49319704 7.04770074 -0.00398705 0.00227118 0.00255819 -0.01830718 -0.00120723 0.01950871 -0.00148995 -0.00125563 -0.00002626 +H 2.50308329 7.19800660 4.15070788 0.00500471 -0.01122071 -0.00484073 -0.12024643 -0.05293071 -0.06823521 -0.00819704 -0.02111513 0.03008582 +C 4.47696711 5.68617477 7.11751670 -0.00817541 -0.00653524 -0.00188810 -0.06759308 -0.03450916 -0.01687495 -0.00821469 -0.00205059 -0.00353054 +H 2.57090188 4.84037474 7.80349187 0.01638134 -0.02046088 -0.00108744 0.08959221 -0.05869850 -0.05568724 -0.00843567 -0.01148971 0.00511786 +C 5.06509324 6.51716580 6.13621005 -0.00102951 0.00354532 0.00217266 -0.00634607 0.00963837 0.02344267 -0.00305373 -0.00044989 0.00243879 +H 4.99804310 5.21764150 7.94869993 -0.01328660 -0.02826904 0.00194012 -0.06833833 -0.09939135 -0.08613394 -0.00203035 -0.00364555 -0.01713914 +C 4.26936928 7.04014654 5.10254063 0.00491205 0.00089959 -0.00767945 0.05620897 0.02252242 -0.04547539 0.00923683 0.00490697 -0.00458785 +N 6.42353867 6.77744636 6.37768819 -0.00749449 0.00254817 -0.00751169 -0.04743062 0.03038437 -0.03693640 -0.00431779 0.00589391 -0.00316788 +C 2.93167644 6.78995360 4.97402807 0.00331628 -0.00015702 -0.00011401 0.01439513 -0.01176973 0.00774638 -0.00018974 -0.00059263 -0.00299737 +H 4.67932026 7.76211780 4.42753333 -0.01186425 0.00434728 -0.00262359 0.04222329 0.00860664 -0.11244600 0.02069217 -0.01047970 -0.01851998 +C 7.41962154 7.33431121 5.66915302 0.00147475 0.00045351 -0.00012749 -0.01365851 -0.00141576 -0.03942270 -0.00388033 -0.00181247 -0.00772360 +H 6.63671847 6.68889809 7.36190043 -0.01533219 0.01051859 0.00185145 -0.03483327 -0.01457922 -0.06447711 0.00852299 -0.01468913 -0.00860027 +O 7.32472503 7.77049982 4.50404340 0.00590187 0.00220661 0.00138874 0.03417129 0.01229361 0.01566294 0.00362027 0.00186808 0.00132618 +C 8.74028710 7.33592012 6.28822936 0.00264012 0.00007221 -0.00005114 0.03279943 -0.02115969 0.01518724 0.00655334 -0.00251758 0.00429358 +H 9.50370900 7.35655311 5.52480943 0.03477871 0.02009311 0.01736369 0.15621315 0.10920996 0.15772677 0.00049340 0.00567041 0.02556473 +H 8.72268721 8.24067593 6.86912863 -0.00498563 -0.00105139 -0.01487854 0.05288261 0.00214812 0.04666762 0.01478086 -0.01228154 0.01720284 +H 8.76522383 6.37931535 6.81688847 0.00881667 -0.02921310 0.02809299 0.14395463 0.10940648 0.11560775 0.02761933 0.03874957 0.01067212 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99650459 5.77070706 5.72084054 0.00133666 -0.00622047 0.00098576 0.00694686 -0.02980015 0.01152883 -0.00068899 -0.00447491 0.00144662 +C 2.29732975 6.14672596 5.91303561 -0.00573069 0.00868416 0.00381515 -0.03441267 0.01725419 0.00370492 -0.00124749 -0.00407085 -0.00274716 +H 0.92746614 4.84839979 5.53817919 -0.00161533 0.02177700 -0.01411986 -0.02597972 -0.02197737 -0.14339941 0.00058980 0.00918693 -0.01495834 +C 2.58461744 7.41918698 6.28927413 -0.00151891 -0.00024796 -0.00282403 -0.00506450 0.03321137 -0.00597759 0.00196823 0.00643384 -0.00005262 +H 3.09343410 4.25585604 5.16008645 -0.00401426 0.02395111 -0.00706594 -0.02759374 0.08784712 -0.01477334 -0.01010115 -0.03106313 -0.01130036 +C 3.91239192 7.76321106 6.44173364 0.00056455 0.00158059 0.00174035 0.02445206 0.01512234 0.00703926 0.00462807 0.00255316 -0.00015638 +H 1.84018877 8.24329147 6.51551130 0.00088942 -0.00129352 -0.03334728 -0.05590985 -0.08827544 -0.21166472 -0.03580388 0.00923231 -0.01593472 +C 5.00461040 6.89621601 6.11623051 -0.00685390 -0.00586052 0.00537194 -0.02353082 -0.02570179 0.04334812 0.00298366 0.00051320 0.00749734 +H 4.09586974 8.78264965 6.79686069 0.00854691 -0.00607464 -0.02478023 0.09874448 0.03400258 -0.13706700 0.01729438 0.01773181 -0.01036458 +C 4.69896294 5.58798598 5.65474595 0.00877978 0.00433656 0.00350806 0.04020118 0.01084199 0.02802585 -0.00086644 -0.00180453 0.00419395 +N 6.30405244 7.38664508 6.23569481 0.00201553 -0.00441504 0.00288442 0.00869113 -0.01163913 0.01863447 -0.00121345 -0.00024308 0.00200865 +C 3.34918220 5.27352713 5.59237515 -0.00037332 0.00337230 -0.00299068 -0.01181863 0.01295362 -0.02858023 -0.00100653 0.00399301 -0.00329097 +H 5.37607572 4.79510887 5.39740519 0.03166116 -0.01809957 0.00146778 0.11769506 0.11811428 0.04676893 0.00418028 0.03655209 0.00793447 +C 7.50844526 6.90584645 5.84812683 -0.00536248 -0.00380142 -0.00279111 -0.03917913 -0.06512691 -0.03812843 -0.00365033 -0.00743794 -0.00479954 +H 6.34652208 8.33604512 6.50063210 0.00250085 0.01286390 -0.00328640 0.03077095 -0.00782310 0.02007103 0.00734273 -0.01755957 0.00826854 +O 7.57651429 5.73600782 5.29242676 0.00533140 0.00324743 -0.00118271 0.04099800 0.04723260 0.00468978 0.00597050 0.00632254 0.00071344 +C 8.77283155 7.75534285 5.97331714 -0.00212349 -0.00036141 0.00038703 -0.03105444 -0.00796030 -0.01169933 -0.00593676 -0.00264577 -0.00225192 +H 9.06495445 7.95273014 6.95553952 0.01290439 -0.01638961 -0.00045403 0.06208664 -0.05871371 0.05871073 -0.00788601 -0.00546601 -0.01954596 +H 9.56945220 7.16944189 5.52124763 -0.03602638 0.00003240 -0.00840045 -0.07986297 -0.07655577 -0.07592638 0.00707549 -0.00954949 -0.00663937 +H 8.76094242 8.62984009 5.36086651 0.00166724 -0.00000646 -0.02104559 -0.04360367 0.01050163 -0.03206705 -0.01239107 -0.00562996 0.01949589 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.06621815 5.79552929 5.86713555 -0.00185685 -0.00192861 0.00602089 -0.01809135 -0.00939009 0.04080718 -0.00291822 -0.00284295 0.00484120 +C 2.35287662 6.14118753 5.82957389 0.00975726 -0.00375909 -0.00175904 0.01061874 -0.02638978 0.00037045 -0.00765509 -0.00035701 0.00268303 +H 0.85436101 4.90093050 5.64293593 -0.00155781 0.02356034 0.00057833 -0.01495080 -0.01699137 -0.04778319 0.00259222 0.00270276 -0.00408708 +C 2.60109544 7.41118862 6.26766535 -0.00285426 0.00536461 -0.00655553 0.01450260 0.04288627 -0.02771420 0.00391848 0.00361870 -0.00230704 +H 3.12796582 4.19600800 5.08953659 0.01000159 -0.00251032 -0.01017706 -0.01083480 0.03471409 0.03513434 -0.01233868 0.00001090 0.01372890 +C 3.95995838 7.85483149 6.38035197 -0.00610070 0.00091095 0.00968549 -0.04700453 -0.00859229 0.03842589 -0.00283471 -0.00052175 0.00126860 +H 1.77892350 8.02015344 6.66552959 0.00517145 -0.00183620 -0.01294226 -0.00560092 0.06349239 -0.13387735 -0.00781238 0.02164074 -0.02072018 +C 4.98557147 6.99188321 5.91624964 -0.00525268 0.00355637 -0.00414599 -0.04107290 -0.00541813 -0.02394637 -0.00500857 -0.00396324 -0.00178351 +H 4.10577371 8.84658941 6.72977038 -0.00072362 -0.01203664 -0.00895000 0.06486348 0.03184787 0.02867527 0.00741544 -0.00522357 0.00953763 +C 4.62989821 5.67172611 5.47250710 -0.00334505 0.00106251 -0.00141124 -0.00179816 0.01635256 -0.00429234 0.00171182 0.00350884 0.00009549 +N 6.29866988 7.41168973 5.89426641 0.00015633 -0.00854690 -0.00551959 0.00160403 -0.03181207 -0.03241438 -0.00277136 0.00053867 -0.00337324 +C 3.31244160 5.19158329 5.49365643 -0.00227024 0.00372097 -0.00108751 0.01659414 0.02370295 -0.02933313 0.00657694 0.00270743 -0.00662352 +H 5.43166359 5.01479781 5.11047212 0.00737046 0.00577116 0.00816181 -0.01664989 0.02301355 0.05305629 0.00036168 -0.00838310 0.00054667 +C 7.51005365 6.81947643 5.97079722 0.00347968 -0.00045523 0.00032625 -0.01939072 -0.01716215 -0.00582279 -0.00497955 -0.00365833 -0.00210486 +H 6.43995722 8.38771809 5.78471369 -0.01773810 -0.00270338 0.00284478 -0.13267510 -0.00294242 0.05287087 -0.01052323 -0.00806990 0.01098619 +O 7.66852379 5.61864469 6.00257760 0.00415270 0.00184880 0.00038721 0.03341185 -0.00095342 0.00746255 0.00495590 -0.00245457 0.00173582 +C 8.61320768 7.73701799 5.87462785 0.00441200 -0.00030199 0.00017963 0.06491949 0.00426672 0.00879130 0.01049912 0.00205723 -0.00024290 +H 8.41855963 8.51507390 5.15945382 -0.03064341 -0.03470648 0.03249614 -0.25218157 0.05605613 0.09346390 -0.01149413 0.02240208 0.00872136 +H 8.97405454 8.14404748 6.83843636 -0.00581049 0.01388113 0.01155977 -0.06965927 0.03647455 -0.01202340 -0.00827441 0.00298327 0.00325564 +H 9.37934830 7.26674211 5.29702820 0.02122198 0.01027614 0.00823126 0.20358307 0.02730910 0.13335303 0.01968812 0.00811765 0.02793057 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.05289739 5.74655876 5.77847480 -0.00067277 -0.00416827 0.00126538 0.00471465 -0.01211594 0.02114378 0.00158538 -0.00197753 0.00459883 +C 2.35648325 6.12001532 6.01021784 0.00422198 0.00753761 0.00340056 -0.00580946 0.02408982 0.00557893 -0.00501966 -0.00274587 -0.00225463 +H 0.89406392 4.83718706 5.73486759 0.01082610 0.01205800 -0.00160378 0.07543130 -0.06117772 -0.03166834 0.01454426 0.01609975 -0.00407217 +C 2.65184034 7.46427510 6.32211833 -0.00176102 -0.00284856 0.00192147 -0.00128495 0.00151100 0.00382296 0.00178409 0.00321729 -0.00102050 +H 3.18262216 4.17899694 5.48620814 -0.02994865 -0.00498968 -0.00461066 -0.19024044 -0.00383542 -0.05237231 -0.01047567 0.01397170 -0.00655139 +C 3.98625903 7.88340161 6.26543908 0.00360777 0.00154594 -0.00715578 0.00208907 0.01477068 -0.03743981 -0.00224340 0.00303174 -0.00225111 +H 1.91135913 8.24891796 6.48182007 -0.00818628 -0.00126254 0.00274353 -0.06860986 -0.11369372 0.04371253 -0.01409319 -0.01755629 0.01254944 +C 4.97173765 6.95473279 5.94100683 0.00050420 0.00282429 0.00004296 0.00093255 0.00812499 -0.01408684 0.00095653 -0.00006569 -0.00406818 +H 4.16941975 8.92545348 6.42519625 0.02062914 -0.00284499 0.02097462 0.14798376 -0.04612093 0.13971838 0.00999913 -0.01536311 0.01087136 +C 4.68966268 5.64429990 5.55908549 -0.00150521 0.00499181 -0.00506124 -0.02922246 0.01650687 -0.01306626 -0.00633257 -0.00169717 0.00087307 +N 6.22066108 7.36776863 6.00313428 -0.00016849 0.00128013 0.00225458 0.03837475 0.03814629 0.01774078 0.00885555 0.00823279 0.00219923 +C 3.36413195 5.20786945 5.68495154 -0.00414403 -0.00532093 0.00061510 -0.02203705 -0.02924447 -0.00180495 -0.00380799 -0.00183555 -0.00120153 +H 5.48332216 4.94527352 5.35243472 -0.00242068 0.00674541 0.00261897 -0.05462389 -0.00627629 -0.05199296 -0.01189838 -0.00402498 -0.01600799 +C 7.41210259 6.81816158 5.84906087 0.00306993 0.00320628 -0.00185839 0.04553931 0.02284137 -0.01423590 0.00810710 -0.00089064 -0.00350259 +H 6.42104515 8.36353084 6.13395602 -0.01048945 -0.00493722 -0.01530310 -0.17003536 0.05500152 -0.00407204 -0.02307145 0.02393252 0.01516459 +O 7.63548641 5.76051273 5.36846730 0.00342283 -0.00899338 -0.00169212 0.02220114 -0.07486141 -0.01287888 0.00272613 -0.00942202 -0.00086338 +C 8.66020752 7.66983463 6.22486936 -0.00265145 0.00313234 0.00099591 -0.04774837 0.00869601 0.03186809 -0.00657613 0.00357589 0.00241070 +H 8.65220879 7.93110485 7.31004516 -0.01754691 0.00617558 0.02312136 -0.04882887 -0.07133454 -0.02365326 -0.00051061 -0.01711858 0.00222567 +H 9.49362139 7.10522441 5.87679151 -0.00280968 0.02378322 0.00491991 0.12699328 0.14977029 0.07899803 0.00621074 0.02697904 0.02260124 +H 8.60290836 8.56345363 5.71349304 -0.01735468 -0.02316890 0.02717722 -0.09288614 0.14621887 -0.00732901 -0.00571557 0.00875092 0.00461833 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97207955 5.94452959 5.67726775 0.00427345 0.00164907 -0.00442997 0.02737329 0.00910568 -0.02758464 0.00524333 0.00150554 -0.00196888 +C 2.29054826 6.09151059 5.91353114 0.00874112 -0.00401653 0.00134338 0.07161150 -0.02076594 0.00081633 0.00654120 -0.00125552 0.00012002 +H 0.70884296 5.61767090 4.79153715 -0.00421186 -0.00584934 0.00646355 0.02486117 -0.05522026 0.02212176 0.00575903 -0.01762400 -0.01944211 +C 2.70953726 6.71430416 7.11510086 0.00050557 0.00124774 -0.00229148 0.01236366 0.01464397 -0.02551091 0.00471123 0.00192728 -0.00447506 +H 2.96712848 4.96414692 4.16762297 -0.02987627 0.01563873 -0.00865828 -0.06128525 0.24730225 -0.04644335 0.00654696 0.03314609 -0.01933083 +C 4.05980397 7.02060543 7.30942151 0.00271937 0.00039246 -0.00093508 0.05357304 -0.00281959 -0.01840909 0.00779141 -0.00179227 -0.00395750 +H 2.01125738 7.13724527 7.82864175 -0.00547859 -0.02696894 -0.00256108 -0.07906391 -0.21495249 0.00076050 -0.00768893 -0.02693700 -0.00083308 +C 5.07921100 6.62821104 6.35431980 0.01042532 0.00853138 0.00083279 0.04655580 0.05209094 0.00320681 0.00052917 0.00386430 -0.00229370 +H 4.47784082 7.59313334 8.19245885 -0.02282090 -0.02808352 0.00441721 -0.21886803 -0.14545140 0.08333764 -0.01633279 0.00054149 0.03427114 +C 4.67883597 5.88434131 5.24468914 -0.00344348 0.00099259 -0.00123208 -0.02924764 -0.00379393 -0.01256271 -0.00393604 0.00110309 0.00115890 +N 6.45775076 6.95800127 6.52390070 -0.00021996 0.00260492 0.00320898 -0.00658492 0.02323221 0.03306763 -0.00113384 0.00432073 0.00639387 +C 3.29795016 5.67499693 4.95080429 0.00160972 -0.00018272 0.00448257 -0.01077443 -0.01555686 0.04989959 -0.00255488 -0.00314467 0.00818855 +H 5.40128268 5.31440945 4.61363368 -0.00421688 0.00115808 -0.00696106 -0.06334269 0.13633746 -0.05871733 0.00213927 0.02012744 -0.02805268 +C 7.43469023 7.11496288 5.59517466 -0.00964744 0.00160130 0.00403603 -0.05568361 -0.00432854 0.01817851 -0.00425516 -0.00296591 -0.00076071 +H 6.75348149 7.14509090 7.47533693 -0.00513558 0.00835333 -0.00389431 -0.02985477 0.09958269 0.02120991 -0.00230058 0.01897101 0.01018684 +O 7.23887496 6.82837259 4.42212797 -0.00727327 -0.00540342 -0.00231673 -0.04230652 -0.02936125 -0.01118411 -0.00478854 -0.00269471 0.00029060 +C 8.82615291 7.59607925 6.06376656 0.00064231 0.00032731 -0.00114399 -0.02851045 -0.00730813 0.00481717 -0.00767183 -0.00588871 0.00073459 +H 9.55745030 7.39596844 5.28682963 -0.00783317 -0.00541790 0.01059121 0.02047674 0.02002138 0.00722076 -0.00027462 0.01616124 -0.00462943 +H 8.71294308 8.70918763 6.29243947 -0.02550676 -0.02245507 0.00842427 -0.07020701 -0.07977650 -0.00210487 0.00526624 0.02934848 0.00306193 +H 9.10739054 7.18953927 7.03030118 0.01809360 -0.01895609 -0.00600583 0.09219975 -0.15409423 -0.11505492 0.00165840 -0.01775897 -0.02213173 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96386634 5.72988629 5.62969430 -0.00509873 -0.00101117 0.00356392 -0.05781249 -0.00555589 0.02597896 -0.01004243 -0.00316899 0.00411336 +C 2.21567377 6.10324279 5.88716764 -0.00967565 -0.00011453 -0.00712806 0.00803788 -0.01450660 -0.05288032 0.00751657 -0.00148392 -0.00780353 +H 0.70073678 4.86290101 5.57681088 0.00127878 -0.00074049 0.01874221 0.07978758 -0.07274837 0.13949453 0.02324330 0.01910755 0.01961417 +C 2.59271806 7.45354040 5.79294749 -0.00181761 -0.00165548 0.00257025 -0.01734446 -0.00080423 0.00889490 -0.00255608 0.00115197 -0.00080080 +H 3.12819130 4.08953085 6.05723113 0.01085542 0.02507232 0.01465421 0.00969977 0.01409406 0.11997134 -0.01019667 -0.00286992 0.01458137 +C 3.92933345 7.90566487 5.74149786 -0.00452370 0.00008157 -0.00480011 -0.00444426 -0.01555020 -0.02141175 0.00305425 -0.00369163 -0.00153587 +H 1.82444223 8.22642130 5.69216492 0.01961818 -0.01181592 0.00195994 -0.02107023 -0.00789259 -0.03737963 -0.02488941 0.00884788 -0.01084665 +C 5.01291109 7.01811696 5.99023982 -0.00182451 -0.00164113 0.00174142 -0.01194886 -0.01272597 0.01132227 0.00040232 -0.00076415 0.00111831 +H 4.17689365 8.94089093 5.59076771 0.01769840 -0.01171369 -0.01897906 0.01316440 -0.02366364 -0.12519391 -0.01609382 -0.00208226 -0.01184052 +C 4.62602356 5.64219625 6.25721286 -0.00386321 0.00234542 -0.00512682 -0.00453088 0.01324617 -0.03369978 -0.00190069 0.00339114 -0.00543384 +N 6.34981985 7.54200736 5.99112370 0.00616996 -0.00129718 0.00411246 0.02864954 -0.02412668 0.03763548 0.00010855 -0.00697843 0.00619407 +C 3.31752505 5.15388772 6.02358777 -0.00288279 0.00148268 -0.00073187 -0.04300845 0.04660259 0.00511785 -0.00603291 0.00789925 0.00275112 +H 5.38301203 4.89301561 6.62628868 -0.00131126 -0.00917966 0.01846145 -0.08601665 0.07234278 -0.04932497 0.01170233 -0.00406785 -0.01589019 +C 7.54046269 6.85549394 5.93490855 0.00594928 -0.00130365 0.00661396 0.02021356 -0.00274105 0.03275745 0.00169267 0.00014553 0.00266454 +H 6.42732001 8.56409991 6.11418580 0.00050134 0.00117320 -0.00078737 0.02456313 -0.04886232 -0.06372030 0.00843884 0.00609020 -0.01318163 +O 7.58902300 5.64990473 5.88705891 0.00673553 0.00062761 -0.00364957 0.04699928 -0.00985713 -0.02396889 0.00650574 -0.00302420 -0.00304851 +C 8.84735009 7.59353263 5.84694736 0.00701952 0.00129190 -0.00192054 0.04387606 0.04107825 0.01936469 0.00466903 0.00793781 0.00497577 +H 9.47715593 7.52507104 4.97779327 -0.02124508 0.01259063 0.00055843 -0.14675095 0.02624251 -0.15935122 -0.02603494 0.00021000 -0.01582238 +H 8.65903413 8.65501251 6.04989439 -0.01522182 0.00061351 0.01332385 -0.07578951 -0.00848845 -0.00421221 -0.00263127 0.00937686 -0.00983344 +H 9.50238071 7.38246754 6.67657929 0.01455399 0.01231319 0.00092023 0.08494867 -0.02171103 -0.01132371 0.00952261 -0.01314474 -0.01132495 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.16628965 5.65820290 5.59879469 0.00199070 0.00297086 0.00139777 -0.00125262 0.02369078 0.00598421 -0.00152818 0.00659229 0.00108351 +C 2.39051981 6.18313768 5.81238515 0.00475594 0.00286039 -0.00295447 0.03407686 -0.02059242 -0.00734237 0.00380426 -0.00715847 0.00072836 +H 1.10482081 4.70082187 5.42411056 -0.01220164 -0.00918293 -0.01334102 -0.01255906 0.08248267 -0.04493727 0.00449613 -0.01445792 -0.00967426 +C 2.66451501 7.55468597 5.72551760 -0.00049292 0.00275459 0.00041550 -0.00064725 0.00177998 0.01421075 -0.00298031 -0.00210569 0.00261355 +H 3.08597891 4.21471698 6.30396577 -0.02790041 0.01974543 0.02227669 -0.08223785 -0.02095199 0.13400250 0.02324420 0.01128262 0.00547734 +C 3.98056164 7.98997380 5.97547753 -0.00276426 -0.00407673 -0.00180759 -0.01917247 -0.02288241 -0.01742466 -0.00054288 -0.00228777 -0.00288962 +H 1.88004195 8.24062755 5.59176507 0.00147835 -0.02039423 0.00060657 -0.08444495 0.00124549 -0.04086343 0.00435317 0.00021085 -0.00561724 +C 4.98612118 7.02930012 6.01475062 0.00625440 -0.00454175 0.00713765 0.02582880 -0.03329967 0.04338567 -0.00148781 -0.00218268 0.00411787 +H 4.19698282 9.03473262 6.05816800 -0.01407649 0.00612622 -0.00928442 -0.07344983 -0.00280403 -0.13132509 -0.00404029 -0.01152720 -0.02477118 +C 4.67838122 5.64159493 6.15522826 -0.00025328 -0.00074680 -0.00622106 0.00482911 -0.00826998 -0.03454024 0.00186524 -0.00042267 -0.00284688 +N 6.26668414 7.48615973 5.88490903 -0.00431419 0.00228680 -0.00369539 -0.01564868 0.01623396 -0.01101453 -0.00060835 0.00037949 0.00089390 +C 3.35586934 5.21363443 6.18053005 0.00996047 -0.00557875 0.00305021 0.03416562 0.00296775 0.00099403 -0.00291554 0.00227505 -0.00185426 +H 5.40497150 4.78367226 6.21258642 -0.01203834 0.01594404 0.00314860 0.01180112 0.08808587 0.05566852 0.03000057 -0.01546322 0.01294306 +C 7.40708288 6.77484793 5.94377838 -0.00843290 0.00143569 0.00384369 -0.04751186 0.01870495 0.00154937 -0.00194353 0.00410694 -0.00354214 +H 6.36654536 8.50333492 5.78248059 0.00156049 0.00911172 -0.00857192 -0.00337657 -0.02734299 -0.04053061 -0.00243726 0.00885231 -0.00529634 +O 7.49291494 5.54412571 5.90386486 -0.00385143 0.00538562 -0.00082634 -0.02088600 0.03796400 -0.00006702 -0.00240215 0.00481286 0.00082340 +C 8.61916248 7.64185263 5.84929828 0.00483056 -0.00448083 0.00097624 0.03304371 -0.03346413 0.00784447 0.00372432 -0.00647796 -0.00007489 +H 9.28335438 7.26699481 5.10946583 0.01494808 0.00621696 -0.01554649 0.08120684 0.02705854 -0.02271870 -0.00580297 0.00646859 0.01544194 +H 8.36849520 8.67785873 5.53722628 -0.02885940 -0.02134512 0.01023985 -0.12015888 -0.08208038 0.08758296 0.00357630 0.01014856 0.01321154 +H 9.05322451 7.69474273 6.86749936 0.00144419 -0.02318637 -0.00015475 0.08215058 -0.13720777 -0.04113456 0.02312041 -0.01197349 0.00025705 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.91790572 5.77887385 5.85849935 -0.00139434 -0.00337424 -0.00544977 0.02608615 -0.02106639 -0.04662891 0.00713169 -0.00370599 -0.00693081 +C 2.29829304 6.12499141 5.73843482 0.00257323 0.00006717 0.00319588 -0.02142994 -0.01686011 0.05490970 -0.00565996 -0.00308134 0.00936408 +H 0.86532428 4.97328964 6.28990553 -0.00831431 -0.00602785 0.00882630 -0.10560933 0.03748159 0.04194111 -0.01711262 0.02820762 -0.00330079 +C 2.86390988 6.70785991 4.62138071 0.00153466 0.00154626 0.00175182 0.00528866 0.01193648 0.02165995 -0.00254538 0.00222717 0.00172229 +H 2.74777738 5.03696394 7.57492374 0.00327669 -0.01440494 -0.01533866 0.01562798 0.06795595 0.01318101 -0.00477057 0.01668218 0.03359184 +C 4.20645346 7.04276842 4.61996789 0.00462300 -0.00019099 -0.00008277 0.03711562 0.01354626 -0.02429484 0.00555070 0.00317163 -0.00409035 +H 2.27680364 6.90119629 3.79336405 0.00862791 -0.00393005 0.02374905 -0.07535427 0.03066728 -0.04722319 0.00147050 0.00317350 0.00526877 +C 5.05085784 6.83764064 5.67978246 0.00279745 -0.00089458 -0.00020168 0.03015542 -0.02663841 0.01275837 0.00248427 -0.00554719 0.00167497 +H 4.62245838 7.45716297 3.70985156 0.03116507 0.00810133 0.00948911 0.10001081 0.07127313 0.05303385 -0.00539577 0.01324606 -0.00482373 +C 4.51592379 6.07924917 6.80158048 0.00362640 0.00237710 0.00368398 0.01575050 0.03585378 0.00471870 0.00232494 0.00480454 0.00095060 +N 6.41117160 7.23715198 5.42439877 -0.00349075 0.00099893 0.00252903 -0.05464388 0.00477048 0.02210960 -0.00832243 0.00082124 0.00289431 +C 3.12561368 5.78395291 6.84249279 -0.00194379 0.00395390 0.00590482 0.00577724 0.00986596 0.01874352 0.00456116 0.00022777 -0.00098896 +H 5.10754208 5.77438196 7.60796738 0.00109514 -0.01373255 -0.01945894 0.10311550 -0.11123936 -0.02696185 0.00055790 0.00091880 -0.01416319 +C 7.45254067 7.02973565 6.18506550 -0.00327847 -0.00365998 -0.00559092 -0.01484393 -0.04454704 -0.01010248 -0.00082430 -0.00587508 -0.00014144 +H 6.54816047 7.81511270 4.64089189 -0.00042428 -0.00811747 -0.00881710 -0.00172746 -0.05712930 -0.04130217 -0.00676236 -0.01632661 0.01216064 +O 7.48788234 6.26776208 7.16178237 -0.00671677 0.00422076 -0.00237321 -0.05126832 0.02816554 -0.01532684 -0.00750601 0.00263519 -0.00059942 +C 8.68886879 7.71105312 5.85097166 0.00164628 -0.00269001 -0.00385726 0.03587362 0.00636913 -0.02987771 0.00768967 -0.00003568 -0.00456977 +H 8.63742228 8.82856516 6.00714990 0.01372441 -0.00580746 0.03735813 0.05271879 -0.12399478 0.21081354 0.00159625 0.00155101 0.02625556 +H 9.52750556 7.36856877 6.43171024 -0.00739846 -0.01261884 -0.00616411 -0.01905335 -0.13764889 0.00416936 -0.00339247 -0.02045311 -0.00786256 +H 9.00139883 7.50184163 4.84297303 -0.00247487 0.02315751 0.00213803 -0.02706367 0.16847137 -0.10961260 -0.00643108 0.02753632 -0.01455199 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.05793734 5.69253034 5.63445463 0.00191587 0.00074371 0.00040729 0.01972277 -0.01027366 0.02020130 0.00327221 -0.00242940 0.00287101 +C 2.37628341 5.88929823 5.88865593 0.00752926 0.00122897 -0.00440913 0.03392637 0.01019303 -0.01525411 0.00137853 0.00049874 0.00146449 +H 0.81118683 6.05565572 4.80492646 0.00683581 -0.00804555 0.02143029 -0.03354452 0.00943164 0.00223452 -0.00467298 -0.00540614 0.01507124 +C 3.10813701 5.34471241 6.98182240 0.00071961 0.00309486 -0.00020031 -0.01040577 0.00901221 0.01029836 -0.00389716 -0.00125775 0.00341045 +H 2.43541075 7.32651520 4.21913008 0.00033809 -0.02560866 0.02276736 -0.06071000 -0.10505478 0.04700057 -0.01216637 0.00219263 -0.01372451 +C 4.43126914 5.74911116 7.28028927 -0.00093899 -0.00561892 0.00681834 -0.02203024 -0.02250447 0.01168594 -0.00470120 -0.00150974 -0.00214686 +H 2.63340192 4.66566094 7.62397742 0.00385862 -0.01678934 0.01690711 0.02290868 -0.02574761 0.02774454 0.00355863 0.01628567 -0.01694495 +C 5.07710704 6.62200035 6.34113816 -0.00903170 0.00531939 0.00271224 -0.05881875 0.01058837 0.04409967 -0.00443040 -0.00053889 0.00717533 +H 4.86552368 5.34493156 8.18312788 -0.01583160 -0.01933964 -0.00879869 0.02798674 -0.11737244 -0.02898511 0.01644775 -0.00589594 -0.00906635 +C 4.30485092 7.06858109 5.23560415 0.00426839 0.00283712 -0.00312000 0.04510880 0.04481019 -0.02043546 0.00560045 0.00771639 0.00021102 +N 6.42091451 6.88561038 6.58680421 -0.00600245 -0.00191556 -0.00115571 -0.01719248 -0.00336071 -0.03681957 -0.00079159 0.00082113 -0.00949767 +C 2.95096398 6.83406716 5.06326086 0.00453363 -0.00038837 0.00229169 0.05235950 -0.01064725 0.00997393 0.00978278 -0.00223791 -0.00039230 +H 4.79685356 7.73236114 4.48697611 -0.01341810 0.01269876 0.00311148 -0.07309004 0.08915530 0.02190305 0.01180900 0.02614174 -0.01251059 +C 7.33791929 7.32826480 5.65858702 0.00049622 -0.00085975 -0.01377288 0.01472025 -0.02200473 -0.03663459 0.00216785 -0.00564362 0.00522587 +H 6.85531659 6.56069691 7.44424074 -0.01679470 0.00021138 0.02047794 -0.17958813 0.05681281 0.02255196 -0.01796778 0.01277549 -0.00468838 +O 7.11815866 7.67725708 4.51385001 0.00697028 0.00001800 0.00289467 0.03274127 0.00739573 -0.00347927 0.00217928 0.00226893 -0.00487013 +C 8.85087195 7.30380694 6.00830940 -0.00509280 -0.00099504 0.00192661 -0.04708483 0.00149457 0.01847805 -0.00968664 -0.00006808 0.00348197 +H 9.42336236 8.17154894 5.60175690 -0.00370695 0.02681948 -0.00842341 -0.14598742 -0.04899508 -0.02203864 -0.01883055 -0.01358991 -0.00353443 +H 9.00186336 7.38212076 7.08291873 -0.01736927 -0.00231596 0.01533474 -0.12059232 -0.08072127 0.02086189 -0.01181082 -0.01895526 -0.00628409 +H 9.23335376 6.32973668 5.65071427 -0.03113842 -0.00813153 -0.02676870 -0.12384074 0.06533315 -0.10971648 0.00321655 0.01382223 -0.00421550 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.10232739 5.66106379 5.66593990 -0.00548596 -0.00127351 0.00024342 -0.04455558 -0.01646759 0.00419493 -0.00792659 -0.00436403 0.00113914 +C 2.37896462 6.10491220 5.77633205 -0.00827203 -0.00689947 -0.00241804 -0.05457223 -0.02091651 -0.01744109 -0.00523238 0.00080670 -0.00189260 +H 1.04745317 4.81407494 5.99361645 -0.01311793 -0.00639910 0.00987484 -0.12594098 -0.00759062 0.04418749 -0.01878626 0.01906154 -0.00261849 +C 2.71608665 7.36895868 5.31171209 0.00103840 -0.00056218 -0.00318900 -0.03598411 -0.01276541 -0.01819651 -0.01070101 -0.00202648 -0.00249167 +H 3.10837125 4.35841312 6.78238866 -0.01870553 -0.03057669 -0.00442616 -0.05065225 0.04992105 -0.05120339 -0.00207437 0.00783252 0.00351218 +C 4.00413628 7.77931784 5.37410825 -0.00440503 0.00073822 0.00006619 -0.01521192 0.04601651 -0.01434120 0.00041268 0.01108650 -0.00323675 +H 1.96187530 8.04469426 4.97364441 -0.00305823 0.00333229 0.00534770 -0.03263328 -0.01030267 -0.05787912 -0.00283068 -0.01070561 -0.01807375 +C 5.00871382 7.03460488 5.90228291 0.00046253 0.01032262 -0.00061500 -0.00734790 0.02049699 0.01494021 0.00002047 -0.00359311 0.00479755 +H 4.19259585 8.73769659 4.93279664 0.01547245 -0.00653623 0.01466453 0.10074773 0.06937289 0.06356606 0.00364276 0.01874321 0.00287111 +C 4.65531481 5.77797374 6.46742581 0.00664260 0.00000619 0.00468828 0.04572774 0.01474466 0.02600082 -0.00009045 0.00373562 0.00155249 +N 6.24890118 7.52355457 5.77507016 0.00237024 -0.00293448 0.00427625 0.06785056 -0.00572619 0.03096602 0.01313727 0.00021066 0.00394387 +C 3.34491543 5.36341255 6.42195401 -0.00346728 0.00553570 -0.00135481 -0.02445828 -0.02126889 -0.00036846 -0.00086852 -0.00658283 -0.00038350 +H 5.41842445 5.12699359 6.89792595 0.03095855 -0.01033359 -0.00771049 -0.08541049 -0.07060631 -0.00368377 -0.01997899 -0.01540245 0.01324944 +C 7.41447379 6.84416944 6.04056548 0.00982697 -0.00358547 -0.00744593 0.02959716 -0.00400115 -0.06000196 -0.00006232 0.00040376 -0.00738824 +H 6.35025728 8.49842696 5.50606832 0.00815158 0.00686735 -0.01622603 0.04727697 -0.08346896 -0.08210390 0.01061181 -0.00649114 -0.01208362 +O 7.38969081 5.67853223 6.37326943 -0.00059897 0.00261035 0.00184764 0.02816980 0.01005076 0.01283532 0.00806281 0.00039081 0.00159358 +C 8.74839777 7.56239312 5.82191193 -0.00004068 -0.00071630 0.00339589 0.00933957 -0.00664140 0.01249583 0.00221400 0.00021926 -0.00037740 +H 9.16258537 7.77548965 6.84090795 0.01863730 -0.01353585 -0.01642798 0.17039621 -0.08524898 -0.09302032 0.02663486 -0.00712754 0.00767663 +H 9.39491231 6.89729792 5.19701893 0.00666165 0.01971301 -0.00384766 0.05196891 0.08914971 0.04956062 0.01564874 -0.00536527 -0.00193043 +H 8.75839533 8.46927644 5.21526108 -0.00263170 -0.00063599 0.00802895 -0.12806270 0.04353580 0.10812116 -0.02709981 0.01133872 0.02146666 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96450436 5.68506513 5.68844805 0.00401505 0.00034606 0.00350795 0.02799388 0.01291482 0.03753677 0.00471383 0.00100556 0.00557566 +C 2.27716132 6.12307432 5.86681799 -0.00232345 -0.00612704 0.00845028 0.00125188 -0.03658584 0.03390791 0.00486792 -0.00277613 0.00147132 +H 0.34122212 6.20820936 6.22237097 -0.01816840 0.02859711 -0.01889396 -0.01222997 0.09736341 -0.25788272 -0.01359767 0.02823803 -0.03319866 +C 2.59579241 7.44610729 6.16055743 0.00807992 0.00270324 -0.00425817 0.03964638 -0.00458026 -0.01109305 0.00156958 -0.00466602 0.00095670 +H 3.13244343 4.22727258 5.30136744 -0.01998463 0.01280442 -0.02726055 -0.10830446 0.05793540 -0.19554325 -0.00604243 -0.00872268 -0.02640393 +C 3.95200096 7.82460944 6.27377075 0.00038457 0.00299415 -0.00154546 0.02758692 0.01477671 -0.01655897 0.00391167 0.00259218 -0.00283896 +H 1.78417338 8.08308196 6.45219030 -0.00209337 -0.02469325 -0.00808571 0.00049764 0.02080180 -0.10124062 0.01318536 0.02403691 -0.02140025 +C 5.06370569 6.92478388 6.03173934 -0.00483402 -0.00230364 0.00550320 -0.05473574 0.00590746 0.05331285 -0.00441372 0.00317936 0.00868876 +H 4.27837035 8.82610110 6.57861729 -0.01458247 -0.00626027 -0.01956474 -0.16107675 0.08147195 -0.10984856 -0.01843941 0.02556867 -0.01050089 +C 4.70963627 5.58470167 5.77594888 -0.00133388 -0.00090585 -0.00417704 -0.01547642 0.01265654 -0.04115029 -0.00213322 0.00229034 -0.00713160 +N 6.32656159 7.45719888 6.16695064 0.00719804 -0.00049078 0.00120029 0.03607484 0.00111506 0.00912247 -0.00336255 0.00044581 0.00192686 +C 3.35011786 5.26735646 5.57171159 -0.00012762 -0.00267805 -0.00742102 -0.01094676 -0.04156105 -0.03968439 -0.00353795 -0.00701243 -0.00382633 +H 5.46224920 4.87221938 5.59085109 0.00867412 0.02535839 0.00515097 0.03647468 -0.01506183 -0.00366325 -0.01884050 -0.01138981 -0.00620490 +C 7.51708642 6.86763206 5.85914146 -0.00362584 0.00118258 0.00352164 -0.04081346 -0.00889751 0.03422126 -0.00241679 -0.00302129 0.00541546 +H 6.44381440 8.38950709 6.50554088 -0.02802301 0.02021808 0.00308875 -0.15035212 0.01401745 -0.05841985 0.00062434 -0.00914244 -0.01717979 +O 7.58944836 5.67052789 5.62029494 -0.00416873 -0.00007046 0.00138137 -0.01583855 0.00046845 0.00536644 -0.00069038 0.00013525 0.00033374 +C 8.70652345 7.71583059 5.92336993 0.00407732 0.00020407 -0.00283708 0.04079717 0.02107612 -0.01467059 0.00350655 0.00254589 -0.00128583 +H 8.47258942 8.68527398 5.42516715 -0.03424176 0.01318019 -0.01139848 -0.07886166 -0.04987583 0.07823510 0.00944190 0.00045685 0.01864175 +H 9.09154041 7.81312098 6.95055925 0.01743167 -0.00625728 0.02343660 0.00486923 0.00889331 -0.05723046 -0.00373309 0.01011587 -0.01849655 +H 9.54668624 7.25361667 5.34736296 -0.01013525 -0.00175134 -0.00782477 -0.07402903 -0.00010330 -0.08169453 0.00413211 -0.00162533 -0.02309844 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92662319 5.85566542 5.89052231 -0.00229607 0.00432098 -0.00462041 -0.01503704 0.00996044 -0.04492791 -0.00096658 -0.00007446 -0.00743094 +C 2.26223488 6.10254141 5.86079292 -0.00008346 -0.00173789 0.00406034 -0.00186353 0.01933123 0.04757682 -0.00097013 0.00771645 0.00927751 +H 0.66658655 5.05264725 5.49370310 0.01715967 -0.02216030 -0.01684348 0.13385166 -0.00334339 -0.03245828 0.01244569 0.00018944 -0.00243414 +C 2.65688410 7.34378223 6.35811028 -0.00124098 0.00641050 0.00167533 0.00126053 0.05607279 0.01380818 0.00406758 0.00390572 0.00023597 +H 2.97739681 4.32188992 4.99158526 -0.00836736 -0.02362112 -0.01009628 0.02479357 -0.03111730 0.05467043 0.01422987 0.02014542 0.03150876 +C 4.02476155 7.75278998 6.47248570 0.00529987 -0.00986497 0.00116242 -0.01191467 -0.06092443 0.01359751 -0.00652647 -0.00566784 0.00368237 +H 1.83577305 8.10525328 6.66214277 0.01021454 0.01710597 -0.00866473 0.12695133 0.03045549 -0.05264518 -0.01794347 0.03285840 0.01007662 +C 5.01280143 6.86721074 6.07656945 -0.00388533 -0.00730148 0.00103654 0.00092860 -0.05802685 0.00037976 0.00372135 -0.00649804 -0.00076486 +H 4.20241733 8.74236833 6.80872434 -0.00604744 -0.00760598 0.01601299 0.04721510 -0.08238735 0.10794785 0.01562174 -0.02667779 0.00713855 +C 4.61790505 5.59279781 5.55477329 0.00385417 0.00201454 -0.01047247 0.02762978 0.00698595 -0.07705329 0.00421036 -0.00360189 -0.01053023 +N 6.32647176 7.33581698 6.16514771 -0.00389310 0.00389629 0.00033251 -0.03800877 0.04027692 -0.00581490 -0.00514897 0.00152667 -0.00372407 +C 3.26070210 5.22163053 5.43359866 0.00005954 0.00170672 0.01150685 -0.00077986 -0.01077831 0.06117740 0.00066875 -0.00466586 0.00486859 +H 5.30979346 4.98984998 5.05891187 0.01139853 -0.02544063 0.01381070 0.08917755 -0.14489805 0.15308086 -0.00739434 0.00747612 0.02846061 +C 7.51666717 6.89893885 5.80491500 -0.00098033 -0.00432160 -0.00493849 -0.00964339 -0.02345696 -0.01986788 -0.00231609 0.00183014 0.00117609 +H 6.34530273 8.35936582 6.43949266 -0.01281664 0.01505981 -0.01079821 -0.04901973 -0.03176540 -0.04409512 -0.00125395 0.02861589 0.01180040 +O 7.75090899 5.78720594 5.35733948 0.00062331 0.00109749 0.00087652 -0.00065220 -0.00726242 -0.00162171 -0.00078952 -0.00397421 -0.00159509 +C 8.67233456 7.79677751 6.04388685 0.00281886 0.00105437 0.00462747 0.02972467 0.02986959 0.00697383 0.00290252 0.00614682 -0.00161138 +H 9.06026350 8.24578770 5.12064858 -0.00609700 0.02631269 -0.01807901 -0.12318483 0.04038366 0.01533117 -0.01355078 -0.01053335 0.00430984 +H 8.41636889 8.61309070 6.71917102 0.02094171 0.02669901 -0.01453959 0.15139817 0.08641954 -0.03356031 0.01415734 -0.00426450 0.00690101 +H 9.53456365 7.17228584 6.37601819 -0.01535400 -0.00303090 0.00083407 -0.04512761 0.02142135 0.09618810 0.01450068 0.00518042 0.02177396 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00867417 5.69438970 5.88978048 0.01146311 0.00339501 0.00191614 0.07844775 0.01590647 0.01336642 0.00957173 0.00356282 0.00238205 +C 2.31584167 6.11568453 5.90432207 0.00467068 0.00700659 -0.00003550 0.02056355 0.03822915 -0.00945450 0.00023339 0.00090736 -0.00274291 +H 0.96853698 4.75392924 5.75908904 0.00904241 -0.01829034 -0.00885888 0.03908248 0.06287742 -0.02729112 0.00241970 -0.00257460 -0.00531861 +C 2.66466338 7.49091621 5.90687124 -0.00590929 -0.00473103 -0.00156771 -0.05321103 -0.01397029 -0.00824752 -0.00724214 0.00334658 0.00053830 +H 3.04253675 4.15112205 5.94266841 -0.01407075 0.00854087 0.00602375 -0.00383962 -0.04580887 -0.02814447 0.00859263 -0.01531602 -0.01393093 +C 3.97551715 7.92215065 5.87339974 -0.00259141 -0.00189744 0.00031583 -0.01586132 -0.02651257 0.00062717 -0.00382785 -0.00396748 -0.00093024 +H 1.90777622 8.25173752 5.87840704 -0.00639432 -0.00767677 0.03872092 -0.09529931 -0.06853461 0.24387718 -0.01328950 -0.01423847 0.02083179 +C 5.01743589 6.96712166 5.86449093 -0.00046399 0.00266990 -0.00713585 -0.00775471 0.04414410 -0.04037467 -0.00173940 0.00528901 -0.00364391 +H 4.16609567 9.01148147 5.94128204 -0.00372252 -0.03076336 -0.01103627 0.01524520 -0.03779847 -0.07202703 0.00594744 0.02336188 -0.00450298 +C 4.69261420 5.62733957 5.82698558 -0.00272887 0.00486821 0.00566198 -0.04523966 0.00034708 0.03984316 -0.00827552 -0.00496968 0.00476847 +N 6.29038909 7.49416755 6.02812311 -0.00046989 -0.00281790 -0.00054145 0.00654868 -0.02422456 -0.00384854 0.00275708 -0.00500930 -0.00149674 +C 3.35232987 5.18825630 5.84306944 -0.01139764 -0.00464817 -0.00202590 -0.05901186 -0.01750672 -0.00383799 -0.00300267 0.00012308 0.00102139 +H 5.42829521 4.87676711 5.93832869 -0.01843016 0.01054024 -0.00710123 -0.00609790 -0.04682539 -0.05917018 -0.00206511 -0.00325093 -0.00690797 +C 7.45399685 6.82385177 5.98007186 0.00687472 -0.00003171 -0.00072358 0.02715247 0.01253030 -0.01657502 -0.00032272 0.00132714 -0.00446528 +H 6.31455702 8.50939356 6.24748546 0.00767542 0.00174926 -0.01846574 0.08111360 -0.05129893 -0.14789206 0.01286077 0.01111679 -0.01650513 +O 7.55456479 5.65166360 5.68747941 0.00454099 -0.00216306 -0.00050510 0.04079717 -0.02018069 -0.00070143 0.00701898 -0.00251190 0.00050492 +C 8.69709613 7.67780471 6.10635728 -0.00516808 0.00662395 0.00114003 -0.02197335 0.03132455 0.01364452 0.00064216 0.00077566 0.00664743 +H 8.54084872 8.66951691 6.46845530 -0.03202755 -0.00890240 0.01663097 -0.19641791 -0.00743038 0.15035723 -0.00709202 -0.01271626 0.01536902 +H 9.44307020 7.27154422 6.66655386 0.00321318 -0.04184122 -0.00706986 -0.04374652 -0.21769742 -0.00256945 -0.04550196 0.01248324 -0.01078148 +H 9.09682228 7.80088742 5.06252090 0.00638305 -0.01124482 0.02836402 0.07723137 -0.00026569 0.08576113 0.01691985 0.02032134 -0.01749590 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03579400 5.64520914 5.75954097 0.00430532 -0.00178813 -0.00163994 0.03074578 -0.01049965 -0.00980929 0.00206000 -0.00064503 -0.00147197 +C 2.34478805 6.11235403 5.88563224 -0.01017628 0.00164871 -0.00003009 -0.05884069 -0.00456293 0.00241483 -0.00204399 -0.00071901 0.00106942 +H 0.97379140 4.67196467 5.84741277 -0.00257224 0.00660143 -0.00409957 -0.00828592 0.00705718 -0.04978429 0.00173955 -0.02195474 -0.00832894 +C 2.53935591 7.42581887 6.23910087 0.00084231 0.00280863 0.00147693 -0.00611155 0.01956998 -0.00187873 -0.00422964 0.00124146 -0.00261677 +H 3.33714689 4.26911504 5.42263055 0.01248181 0.02129817 0.00916508 0.00155910 -0.07081114 0.03495184 -0.01122626 -0.00232893 0.00957855 +C 3.86521411 7.89932578 6.31585955 0.00013740 -0.00198138 0.00182936 0.01513007 -0.01280624 0.02780450 0.00317191 0.00184513 0.00679727 +H 1.69440385 8.04019961 6.40547419 -0.03309171 -0.01783692 -0.02507043 -0.08371799 -0.03890482 -0.10156109 0.02309888 0.00770319 -0.00006324 +C 5.00143445 7.05014860 6.09137494 0.00106526 0.00084228 -0.00091260 0.00203564 0.01158348 -0.01656762 0.00047296 0.00081779 -0.00375302 +H 3.99891088 8.88521946 6.66016842 -0.01234483 -0.02439813 0.01122262 -0.00893350 0.04824790 0.05569488 0.00853664 0.00691189 -0.00651305 +C 4.70241469 5.74549481 5.74673506 0.00317991 0.00020860 0.00164688 0.05116345 -0.02373641 0.01397308 0.00777486 -0.00512534 0.00307291 +N 6.33931332 7.46121889 6.15938850 0.00127713 0.00010921 -0.00055768 0.00135286 -0.00128994 0.00069113 -0.00132203 0.00311711 0.00277387 +C 3.45446008 5.26727407 5.71353721 0.00214405 0.00370683 0.00058198 -0.03497141 0.02376459 -0.00651081 -0.00971654 -0.00081362 -0.00306686 +H 5.39640141 4.96052664 5.51245372 0.01671471 -0.02151866 0.01936081 0.10469581 0.02281765 0.15846258 0.01412760 0.01649528 0.02039284 +C 7.46074020 6.79486724 5.73773842 -0.00222211 0.00937168 0.00537942 -0.00979347 0.07771141 0.05213626 0.00023389 0.00384734 0.00329988 +H 6.49737811 8.29338497 6.66462944 0.02050725 -0.01118245 -0.00436806 0.09748193 0.02186714 -0.00653215 -0.00603257 -0.00236925 -0.00855003 +O 7.52050659 5.81331846 5.10007039 0.00202206 -0.00126988 -0.00094157 0.01407889 -0.01685613 -0.01300919 0.00169189 0.00020122 -0.00040595 +C 8.74122877 7.49358959 6.23521720 -0.00145044 -0.00821272 -0.00668595 -0.02181411 -0.03792364 -0.03366123 -0.00350195 -0.00121041 -0.00282304 +H 8.56642532 8.27108676 6.98553393 -0.01601814 -0.00481320 -0.00549196 -0.12368035 -0.04839069 -0.08714720 -0.01050228 -0.00325289 -0.00825520 +H 9.47002266 6.86041796 6.78362114 -0.01456959 0.00886618 -0.00919133 -0.03060395 -0.09724825 -0.11791801 0.00584080 -0.03636682 -0.01557072 +H 9.14352972 8.00294128 5.34075008 -0.01207047 -0.01000096 0.01804186 0.07431956 -0.03120156 0.01706006 0.02663896 0.00028171 -0.01501995 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01251044 5.76556685 5.76846032 0.00579943 0.00378790 0.00237213 0.03950621 0.04488382 0.01971807 0.00276002 0.00623533 0.00183809 +C 2.33084192 6.19844794 5.80052121 -0.00309967 0.00652968 -0.00233344 -0.04196800 0.00479775 -0.01506059 -0.00506846 -0.00552848 -0.00179867 +H 0.92079835 4.96203676 5.28402802 0.00913179 0.02651402 0.00961235 0.01979626 0.02605863 -0.00966046 0.00027415 0.01163628 0.00680608 +C 2.68748869 7.41704040 6.35011390 -0.00588778 -0.00520159 0.00007611 -0.04729940 -0.02509982 0.01809534 -0.00717665 -0.00100875 0.00443078 +H 2.92509907 4.30997055 4.99122951 -0.01066534 0.00119642 -0.01901543 0.06019206 0.04995239 -0.06237517 0.01461837 -0.01391287 -0.00885465 +C 4.02498264 7.75301283 6.51807637 -0.00460332 -0.01163325 -0.00781500 -0.03059043 -0.04779368 -0.04045641 -0.00565511 -0.00222142 -0.00273581 +H 1.92004875 8.01498403 6.79309679 -0.00178817 0.00264316 -0.00217566 -0.03043488 0.07827415 -0.07117506 -0.00198313 0.01040145 -0.01714470 +C 5.04711899 6.89149872 6.10383717 0.00327905 0.00230132 0.00607931 -0.01549460 -0.01576082 0.01904096 -0.00619146 -0.00673609 -0.00156433 +H 4.25293818 8.74168996 6.91467071 -0.01978823 -0.00936186 0.00571407 -0.09577884 -0.09465833 0.02177537 -0.00081753 -0.00360951 0.00223513 +C 4.63963052 5.64248844 5.59250090 -0.00141310 -0.00115661 -0.00168776 0.00157629 -0.01135356 -0.02199507 0.00093589 -0.00222224 -0.00431520 +N 6.29547480 7.38210779 5.95503729 -0.00301039 0.00531322 0.00135630 -0.00059753 0.04180173 0.02604049 0.00325378 0.00595379 0.00634153 +C 3.28259296 5.27308185 5.43159390 -0.00542415 -0.00547284 0.00201296 -0.01998642 -0.02874277 0.00689912 0.00084300 0.00070751 0.00073587 +H 5.42933856 5.03100315 5.19105512 0.00881990 0.01910143 -0.00808305 -0.01064929 -0.00749079 -0.06294256 -0.01126444 -0.01847658 -0.00829292 +C 7.49139810 6.82014948 5.90635529 0.00434503 -0.00452270 -0.00267399 0.00348496 0.00387724 -0.03150829 -0.00305353 0.00699382 -0.00588620 +H 6.28337872 8.39723887 5.97345490 0.01254223 -0.01203618 0.03223381 0.11908252 0.03241845 0.21270684 0.01352217 0.01136864 0.02432917 +O 7.64099625 5.61546773 5.83463326 0.00114413 0.00315910 0.00327481 0.02357658 0.00682306 0.02493941 0.00527893 -0.00135331 0.00364302 +C 8.59005138 7.85425058 5.78381543 0.00478244 0.00410502 -0.00768169 0.04420515 0.01010145 -0.02769829 0.00935152 -0.00300967 0.00198965 +H 8.92035556 8.13386632 6.71074303 0.02014323 -0.00719796 0.02707181 0.08246082 -0.05285478 0.05406360 -0.01090222 -0.00877259 -0.04262447 +H 9.41528760 7.47780924 5.20548724 0.00396830 -0.00622322 0.01849575 0.09691293 -0.07811390 0.04657081 0.00837870 -0.00720321 -0.00077326 +H 8.23717265 8.79057285 5.28732971 0.00484092 -0.01938776 -0.00522962 0.02939149 -0.04473128 -0.09524071 0.00619241 0.01355374 -0.02184190 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98065366 5.76422584 5.98438942 0.00101019 0.00416220 0.00196800 0.01286395 0.01962348 0.00954599 0.00227684 0.00363487 0.00110973 +C 2.27230108 6.20191324 5.88705738 0.00373202 0.00099064 0.00176367 0.01280126 -0.02878023 0.00101980 0.00037591 -0.00707701 -0.00062910 +H 0.98415627 4.82900888 5.83223398 0.00010068 -0.02071362 0.00195635 -0.07277568 0.05530632 0.04094645 -0.02034673 -0.00168335 0.00366267 +C 2.62725499 7.43678090 6.38912929 0.00819723 -0.00600091 0.00091846 0.04589088 -0.02309004 0.01656631 0.00546538 -0.00237779 0.00234757 +H 2.95477949 4.38477188 4.90662836 0.00593970 0.01465400 0.01592981 -0.05162868 -0.08436502 -0.00173641 -0.00468401 0.00574491 0.00274336 +C 4.00853000 7.72986678 6.34368444 0.00033035 0.00316656 0.00021425 0.01099301 0.01988104 0.00551342 0.00283409 0.00303969 0.00105205 +H 1.86630988 8.08238725 6.82087068 -0.02386140 0.01899130 0.00859699 0.09844552 -0.01410635 -0.08166332 0.02735327 -0.00451144 -0.01684486 +C 5.04174819 6.81882881 5.99483332 -0.00483796 -0.00507245 -0.00562653 -0.04939454 -0.00264147 -0.02486391 -0.00462632 0.00583646 -0.00095056 +H 4.31822751 8.71257778 6.66020074 0.00835179 -0.00775078 -0.02187805 0.02127160 0.05947057 -0.05934762 -0.00567831 0.01374818 0.00388620 +C 4.62818495 5.54760803 5.50969561 0.00436639 -0.00146018 0.00123132 -0.00205001 0.00142283 -0.02138885 -0.00616074 0.00090050 -0.00682303 +N 6.29248725 7.36195848 6.14291624 -0.00162903 0.00802195 0.00305215 0.00579606 0.02430426 0.00891386 -0.00025949 0.00052564 0.00012691 +C 3.22978911 5.29398604 5.33699753 -0.00384028 -0.00137818 -0.00541750 0.00548466 0.01095761 -0.00547522 0.00403549 -0.00051176 0.00169788 +H 5.36359683 4.92275034 4.96451894 -0.03290949 -0.00394041 0.00164544 -0.07623762 -0.15056190 0.10329381 0.01887628 -0.03296456 0.02376664 +C 7.53002416 6.88275857 5.87296366 -0.00484618 -0.00369682 -0.00415525 -0.03908801 -0.03447883 -0.04350636 -0.00373522 -0.00219435 -0.00562376 +H 6.36412230 8.24623352 6.55352283 -0.01437772 -0.01148055 -0.00477779 -0.10957942 0.10307563 0.03396291 -0.00698589 -0.00724227 -0.00716500 +O 7.67198726 5.74330945 5.33539453 0.00378660 -0.00257588 -0.00130123 0.02983172 0.00138171 0.00123973 0.00423326 0.00150550 0.00084554 +C 8.70920940 7.83752787 6.13483887 -0.00202002 0.00044577 0.00752556 -0.02352106 -0.00462238 0.05066145 -0.00279152 -0.00515166 0.00687259 +H 8.64351622 8.81403088 5.57808032 0.00037102 -0.00615572 -0.02218537 -0.03941695 -0.12911926 -0.01595942 -0.01569511 -0.00327993 0.00298963 +H 8.80616538 7.92898092 7.19446298 -0.00916182 0.01224499 0.01684012 -0.10837477 0.18340515 0.06075925 -0.01749580 0.03068185 -0.01515171 +H 9.64390017 7.40754394 5.94701234 -0.00083886 0.02247119 -0.00686960 0.04341190 0.03681640 -0.11944446 -0.02021985 0.00040997 -0.00618179 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98583947 5.79482502 5.67452074 -0.00033440 -0.00503684 -0.00495094 0.00949016 -0.04433780 -0.02070686 0.00250636 -0.00674064 -0.00266969 +C 2.35671843 6.04767023 5.76257446 0.00181480 0.00370217 -0.00415522 -0.04336197 0.03206836 -0.06726635 -0.01077927 0.00232422 -0.00722453 +H 0.61076234 5.31119005 6.37892373 -0.00879038 -0.00506787 0.02200415 0.04292130 0.05754380 0.02643937 0.01166449 0.00971574 0.00566372 +C 2.90112258 6.72915821 4.61677142 -0.00562254 -0.00406380 0.00772084 -0.03342272 -0.01732127 0.04128904 -0.00316413 0.00125836 0.00067790 +H 2.75145676 5.18109104 7.68843675 -0.00486469 0.00335982 0.01498666 -0.02609562 0.13490375 -0.01674130 -0.00880671 0.01799773 0.00406615 +C 4.24229314 7.19397436 4.65326639 -0.00559935 -0.00037210 0.00166881 -0.05232130 -0.01901866 0.01195755 -0.00837760 -0.00416187 0.00216858 +H 2.27050278 6.84912613 3.74581986 -0.01500015 0.01237703 -0.00020560 -0.02041270 0.10005273 0.08858184 0.00201222 0.01418989 0.01572343 +C 5.02466302 6.90387700 5.78448877 -0.00038833 0.00052176 -0.00196556 -0.01862652 0.01878931 -0.01270339 -0.00487617 0.00337346 0.00038386 +H 4.65985269 7.65430772 3.74688006 -0.01469655 0.00554986 0.01955726 -0.07734562 0.10978030 0.08598549 -0.00824051 0.02303853 -0.00078095 +C 4.42868992 6.28987159 6.86572242 0.00154119 0.00321214 0.00050704 -0.00126742 -0.01342075 0.01398877 0.00012801 -0.00557132 0.00349275 +N 6.27553530 7.43497947 5.83080570 -0.00588129 -0.00078692 0.00489811 -0.00631712 0.00777801 0.01789002 0.00356814 0.00219282 0.00000532 +C 3.10227888 5.78250090 6.83578068 0.00165701 0.00481408 -0.00366988 0.03176755 0.02717863 0.01145431 0.00343310 0.00438856 0.00141756 +H 5.03198025 5.96339526 7.70965383 -0.03222501 0.00106222 -0.00579054 -0.06695054 0.08141529 0.10922383 0.01194617 0.02235718 0.02578854 +C 7.44811816 6.90604968 6.24763271 -0.00169227 0.00201933 0.00012151 0.00193862 0.02426747 -0.01533452 0.00338019 0.00381453 -0.00317591 +H 6.39869051 8.29071615 5.29054528 0.01409642 -0.00905174 -0.02329572 0.04052869 -0.14433158 -0.10787574 -0.00049663 -0.01136099 -0.01824202 +O 7.57396588 5.92372690 6.94964558 0.00543697 0.00060163 -0.00273344 0.03315973 -0.00061453 -0.01470427 0.00366138 -0.00002863 -0.00192139 +C 8.70284668 7.57988026 5.63078635 0.00937745 -0.00020228 0.00090199 0.05192704 0.00352601 0.01155527 0.00389389 -0.00138028 0.00170177 +H 9.25677070 7.00316849 4.88584529 -0.00189314 -0.02734022 0.00817818 -0.01598136 -0.21706334 0.18195500 -0.00306206 -0.02557707 0.03766728 +H 8.37553673 8.42141385 4.99997977 0.03391577 -0.00016618 -0.00447523 0.20515251 0.02107404 -0.00307246 0.02320265 0.00973598 -0.00172041 +H 9.35811896 8.06326750 6.40473406 0.01723096 -0.01415553 0.00948511 0.08407901 -0.20607341 0.00923733 0.01926710 -0.03133278 0.01127918 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04492955 5.70604468 5.91021768 -0.00031193 -0.00477007 -0.00143051 -0.01754637 -0.01449355 -0.00116901 -0.00343442 -0.00207353 -0.00031492 +C 2.31346979 6.09349343 5.92341730 0.00761764 -0.00182537 -0.00078134 0.03782695 0.01148657 -0.01572139 -0.00062188 0.00408364 -0.00329422 +H 0.74868103 4.90494028 5.56542677 0.00437591 0.00921233 0.01017312 0.09964092 -0.10504718 0.00612556 0.03209947 0.00737674 0.01087835 +C 2.68181195 7.48217276 5.96512514 0.00283450 0.00114305 0.00079979 -0.01133411 -0.00285451 0.00902931 -0.00398735 -0.00159465 0.00122374 +H 2.96547312 4.06238597 5.65259514 0.00282620 -0.02850418 0.00092292 0.14975148 0.07040195 -0.02434899 0.02274660 0.01155039 -0.00749606 +C 3.99887712 7.91305140 5.93709197 -0.00655640 0.00276077 0.00166912 -0.01809597 0.01368227 0.01469872 0.00098005 0.00263038 0.00318149 +H 1.90264698 8.25130450 6.07441377 0.02257157 0.01004647 -0.00425123 0.05999121 0.03741814 -0.05022266 -0.01879083 0.00502374 -0.00579593 +C 5.01410500 6.93839931 5.93712448 0.00221258 0.00371545 -0.00219075 -0.00720513 0.06812823 -0.00732391 -0.00450538 0.00916228 -0.00096244 +H 4.24602404 8.95591163 5.91522514 0.00844105 0.00521798 0.01407093 -0.02357536 0.01578039 0.15130833 -0.01724145 -0.00411492 0.02348254 +C 4.61442755 5.64170230 5.71880168 0.00526309 0.00354428 0.00393578 0.02977000 -0.04099058 0.01868025 0.00266122 -0.00838496 0.00252791 +N 6.27813293 7.48429444 6.21771733 -0.00477943 0.00517104 -0.00525811 -0.00236261 -0.00307047 -0.06047674 0.00392319 -0.00071817 -0.00974186 +C 3.27460917 5.12567232 5.71425229 -0.00179232 0.00195839 0.00202159 0.02955045 0.01394496 0.01959926 0.01198139 0.00379365 0.00325371 +H 5.32973157 4.82054976 5.52534743 -0.00202647 0.00090738 0.00336357 0.07521829 0.04334056 0.10498249 0.03243578 -0.00906360 0.02052029 +C 7.47726873 6.86864237 5.93540642 0.00116810 0.00188216 -0.00036213 -0.01334676 0.01319908 0.00865039 -0.00448431 -0.00101934 0.00134600 +H 6.28496935 8.42109302 6.55429440 -0.00588976 -0.02798374 -0.01225479 0.00879184 0.05278936 -0.02116774 0.00836447 0.00058082 -0.01020779 +O 7.54447658 5.69293488 5.60705737 -0.00470010 -0.00143410 -0.00216353 -0.02480881 -0.00534720 -0.01642244 -0.00224360 0.00083973 -0.00216186 +C 8.78089635 7.69894171 6.07516155 -0.00192830 -0.00855736 0.00230571 -0.00753197 -0.04371868 0.01094958 -0.00373868 -0.00286599 0.00234930 +H 9.63114398 7.20687730 6.65431107 0.00777317 -0.00611465 0.01548998 -0.14712987 -0.01171026 0.03889661 -0.01590009 -0.01888719 0.01594875 +H 9.18623168 7.87613423 5.03565354 0.00624374 0.00301237 -0.00263736 -0.00411500 -0.03218985 0.10293882 0.00727497 -0.00527185 -0.00111395 +H 8.56443064 8.69913218 6.43939491 -0.00343380 0.00575631 0.01708375 0.01425717 -0.10495886 0.11326438 0.00505099 -0.02680216 0.01377220 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99019605 5.79963436 5.98152637 0.00112737 -0.00270930 0.00696270 0.01316654 -0.01579987 0.04593181 0.00125632 -0.00294551 0.00482372 +C 2.32251643 6.10516242 5.96159487 -0.00176180 0.00291911 -0.00493533 -0.02573930 0.02336815 -0.02990026 -0.00460495 0.00294867 -0.00357352 +H 0.82907716 5.13531665 5.31532500 0.00082366 0.01861638 0.01988287 -0.09188389 0.00832727 0.01849224 -0.01789905 0.00181171 0.00458897 +C 2.77551046 6.87988649 7.02737985 -0.00511998 0.00271756 -0.00351372 -0.02886630 0.01032336 -0.02354080 -0.00428682 0.00024701 -0.00375184 +H 2.75131181 5.12237649 4.10233653 -0.03290513 0.01457339 -0.02683789 -0.07269952 0.14130543 -0.07699156 0.01065625 0.01356757 -0.00107119 +C 4.17441750 7.15774026 7.13843255 -0.00826540 -0.00057500 -0.00061836 -0.09052863 0.00866697 -0.01100619 -0.01250273 -0.00073985 -0.00712572 +H 1.99766974 7.17565720 7.74033915 -0.01901635 -0.00360082 -0.00723270 0.02585947 0.02692304 -0.02000702 0.01363807 0.01244441 0.01063694 +C 5.01869311 6.72683288 6.10018141 -0.00152126 -0.00142561 -0.00168599 -0.00404605 -0.00444145 0.00971881 -0.00042616 0.00105055 0.00552733 +H 4.34049348 7.89773803 8.01335026 0.00269944 -0.00927164 0.00956710 0.16542908 -0.23984163 -0.06231144 0.03958673 -0.01958720 0.01809817 +C 4.55206644 5.98859272 4.97695239 0.00023006 0.00153618 0.00277802 -0.01058806 0.00899117 0.02228189 -0.00665457 0.00145760 0.00473399 +N 6.30689732 7.08990055 6.34099379 0.00670670 0.00104639 -0.00515253 0.03952127 0.02520899 -0.01755929 0.00342494 0.00548762 0.00026932 +C 3.16930243 5.71325578 4.90572665 -0.00407653 -0.00802278 -0.00045653 -0.02590493 -0.05886521 -0.00929114 -0.00216721 -0.00622770 -0.00104322 +H 5.29691263 5.60574648 4.19570362 -0.00312249 0.02736739 0.00500412 -0.08205754 0.18980155 0.00778114 0.00871363 0.01171381 -0.03124554 +C 7.44414522 6.98112847 5.69205676 0.00368060 -0.00024266 0.00319924 0.05986944 -0.00166205 0.00003133 0.01167981 -0.00034612 -0.00275307 +H 6.40370924 7.70959554 7.12255441 -0.00147450 0.00242640 -0.00037009 0.00821232 -0.02816915 0.02124132 0.00708553 -0.00741782 0.00655334 +O 7.58046885 6.39489268 4.62283360 0.00459656 0.00388293 0.00247039 0.02936845 0.02211390 0.01415479 0.00399573 0.00193673 0.00076665 +C 8.70059757 7.68970031 6.28360211 0.00573234 -0.00507942 -0.00327057 0.02710757 -0.03110425 -0.02577097 0.00099563 -0.00095281 -0.00184226 +H 9.14876788 8.32379659 5.51819292 -0.00219930 0.02311425 0.00341751 -0.00096815 0.04698254 0.04402539 0.00276737 -0.00488441 0.00771549 +H 8.49637661 8.39242715 7.06701424 0.00191017 -0.02783763 0.00733031 -0.04919110 -0.18761210 0.11616775 -0.01144104 -0.02938324 0.00638795 +H 9.43524332 6.88706574 6.62244257 0.00152609 0.01882613 0.01243707 0.04903119 0.12467540 0.04594353 0.03002788 -0.00797268 0.00297377 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03585619 5.71144085 5.96958798 -0.00841093 -0.00298094 -0.00322545 -0.05739350 -0.01308309 -0.01911632 -0.00601239 -0.00151783 -0.00246303 +C 2.30915227 6.09010095 5.91834640 0.00624917 0.00214283 0.00183697 0.02110817 0.03171322 0.02531147 -0.00112395 0.00083633 0.00321194 +H 0.86492218 4.79181427 5.79367230 -0.00926550 0.01933352 0.00067186 -0.05696951 -0.03809271 -0.04091236 -0.00141659 -0.00267990 -0.00688107 +C 2.59190297 7.41999513 6.33385935 0.00033310 -0.00155518 0.00251019 0.02571316 -0.02093392 0.00146054 0.00707648 -0.00145347 -0.00144334 +H 3.06437171 4.24362284 5.25668739 0.00240810 -0.01502239 0.01261813 0.07654650 -0.03281760 0.06601426 0.01827477 -0.00230615 0.00015217 +C 3.96417048 7.79396149 6.23932413 -0.00245608 0.00599971 -0.00167234 -0.03583565 0.07464349 0.00415143 -0.00479111 0.01013264 0.00124812 +H 1.77966195 8.07604303 6.68626581 0.00736208 0.01224723 -0.00515423 0.10309982 0.03283807 -0.03931954 0.00566383 0.00108349 -0.00055848 +C 5.01861245 7.02277619 5.76068218 0.00425441 0.00768386 0.00561470 -0.01159819 0.01275398 0.03447183 -0.00878938 -0.00247739 0.00419384 +H 4.07789290 8.84251773 6.61113210 -0.00476723 -0.00167630 0.00336952 0.08168457 -0.00192507 -0.00202592 0.02262759 0.03023705 0.00474135 +C 4.64153007 5.71327519 5.33691253 0.00669454 -0.00471102 0.00029339 0.04760189 -0.00302573 0.02615461 0.01042829 0.00191578 0.00553688 +N 6.30449441 7.51082197 5.88033924 -0.00880715 0.00512226 -0.00506644 -0.02959119 0.04561269 -0.03548620 0.00145279 0.00572102 -0.00381255 +C 3.31306755 5.25977574 5.52205487 0.01079160 -0.00099856 -0.00073026 0.07247679 -0.02997726 -0.02100353 0.00684106 -0.00443270 -0.00303691 +H 5.31947651 4.97833261 5.01198652 -0.00227190 0.02520871 0.00980568 0.18809457 0.03363374 -0.02668791 0.01857591 0.00990421 -0.00205026 +C 7.47637577 6.85585245 5.92375962 -0.00274278 0.00014805 0.01017645 -0.02320692 -0.01486868 0.06476875 -0.00434889 -0.00468018 0.00631591 +H 6.38074460 8.51794918 5.89868318 -0.00923099 0.01438410 0.01829179 -0.06180922 0.01404151 0.13290692 -0.00566406 0.00130031 0.01617675 +O 7.57981276 5.62565031 5.90084004 0.00237961 -0.00867527 -0.00371123 0.01208998 -0.04310640 -0.02400578 0.00072794 -0.00238669 -0.00261768 +C 8.76797197 7.67599340 6.07795124 -0.00553534 0.00016214 -0.00204360 -0.02062543 -0.01472802 -0.03834011 -0.00327432 -0.00245706 -0.00652145 +H 9.24371575 7.79799339 5.09187742 0.01862185 -0.01888985 -0.03274215 -0.03007722 -0.11076035 0.02165375 -0.01774713 -0.00216428 0.01066245 +H 8.71848752 8.65801710 6.51437964 0.00580459 -0.01908277 0.00941418 -0.05475956 -0.03365790 0.09342586 -0.01363654 -0.00695934 0.00339778 +H 9.46854246 7.07870186 6.73824141 -0.00012977 -0.00838649 -0.02625140 -0.01678836 -0.02916942 -0.18303376 0.01296073 -0.01476909 -0.00527948 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.88451348 5.79909702 6.12030993 0.00716984 -0.00532437 -0.00040073 0.06152115 -0.02074897 -0.00430296 0.00804353 -0.00355553 -0.00083963 +C 2.23124738 6.15212870 5.95084764 -0.00067185 0.00519837 -0.00253807 0.00446538 -0.01110234 -0.03051823 0.00268747 -0.00459346 -0.00514252 +H 0.74069297 4.89805176 6.00512277 -0.00821805 0.01066932 0.01930847 -0.04539843 -0.04857985 0.11120660 0.00974844 0.01919170 0.01409839 +C 2.65019241 7.48047243 6.02458552 0.00031342 -0.00333351 0.00555491 0.01721775 0.00430966 0.03035398 0.00428965 0.00586709 0.00272696 +H 2.95908549 4.13741967 5.57366959 -0.01469413 0.00617554 -0.01202284 -0.06684358 0.00495912 -0.11464265 0.01022930 0.04092901 -0.01162448 +C 4.00341413 7.85789512 5.93660381 0.01131377 -0.00326392 -0.00635054 0.04453180 -0.00675448 -0.04017003 -0.00126223 -0.00063721 -0.00465323 +H 1.92543284 8.23432022 6.09275293 0.01842599 0.01320276 0.00116920 0.04360825 0.09204607 0.08193690 0.00831912 -0.00969547 0.01954649 +C 4.99781983 6.89889480 5.80274273 -0.00327756 -0.00095777 -0.00144401 0.01874872 -0.00478724 -0.01816361 0.00712793 -0.00098311 -0.00368433 +H 4.31091829 8.91761108 5.95892051 0.01653853 0.00799923 -0.01179966 0.01557223 -0.05315280 -0.03379961 -0.00370327 0.00291504 0.00240461 +C 4.61724439 5.55790272 5.57344068 0.00475339 0.00356988 0.00220098 0.00146255 -0.01336677 0.02240132 -0.00234504 -0.00715627 0.00422828 +N 6.33668841 7.40213638 5.89557804 -0.00760877 0.00464858 0.00202598 -0.05574058 0.03693358 0.02161050 -0.00563320 0.00431019 0.00377834 +C 3.22184704 5.12909783 5.61079002 -0.00340266 0.00369437 -0.00138255 -0.00550873 0.07109750 0.00944420 0.00155057 0.00908977 0.00225518 +H 5.33135730 4.80355126 5.48063001 0.00618270 -0.02071826 0.01459645 0.03168607 -0.04043202 0.05431973 -0.01295543 0.02128102 0.00096252 +C 7.56499339 6.88301395 5.90374866 -0.00228321 -0.00301307 -0.00022847 -0.03633678 -0.01189839 0.00714902 -0.00860943 -0.00078881 0.00284652 +H 6.36235730 8.37451850 6.17351524 -0.01628533 0.00320062 0.00982787 -0.09885453 0.03043177 0.02172132 -0.00998127 0.01014614 -0.00174144 +O 7.72718696 5.72394164 5.70927269 -0.00452892 -0.00341825 -0.00125603 -0.02512180 -0.04730886 -0.01505982 -0.00287413 -0.00867914 -0.00283268 +C 8.77466614 7.73741614 6.27550410 -0.00221294 -0.00042144 0.00328999 -0.03281210 0.00484069 0.03079902 -0.00412872 0.00083659 0.00242499 +H 8.67930366 8.77232237 5.90700155 -0.00897476 -0.01421345 -0.01442528 -0.07317465 -0.06670735 -0.08655712 -0.01542505 0.00392751 -0.00673398 +H 8.81593917 7.75155532 7.37348345 0.03421194 0.01727477 0.01455953 0.22085305 0.11144847 -0.03529156 0.02080407 0.01209895 -0.01350155 +H 9.64904583 7.26376983 5.88096153 -0.01738025 0.03302592 -0.01237322 0.02914826 0.15164307 -0.12645996 -0.00258799 0.01402417 -0.00956457 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00337341 5.72501257 5.80640618 -0.00147794 -0.00480740 -0.00750479 -0.01205108 -0.01337663 -0.04570521 -0.00054526 -0.00077154 -0.00520813 +C 2.29079042 6.13501077 5.87587718 -0.00129811 0.00943822 0.00439510 0.01794277 0.02861460 0.01629343 0.00413845 -0.00300136 -0.00075234 +H 0.81053584 4.79642267 5.74221691 0.01902660 0.01425284 0.00599197 0.15262149 -0.06700445 0.01699667 0.02150350 0.00119794 -0.00080437 +C 2.61174128 7.45912637 6.29194454 0.00501146 0.00251127 0.00444108 0.02369724 -0.00641152 0.02074264 0.00018700 0.00002342 0.00440568 +H 3.00720102 4.18750046 5.22213401 -0.03118403 -0.00552962 0.02390486 -0.05226892 0.03497908 0.14029726 0.01419126 0.00178867 0.00683738 +C 3.93565422 7.88351014 6.29548487 0.00716401 0.00175169 0.00414599 0.04940598 0.00411758 0.03025062 0.00399349 -0.00185273 0.00305440 +H 1.78370841 8.03971932 6.49455749 0.00659512 -0.02194829 0.03260468 0.02673303 0.04467573 0.25502687 0.03479352 0.00495566 0.01697767 +C 5.00059232 6.96848904 5.98483192 -0.00589540 -0.00554866 -0.01036259 -0.03514300 -0.03521040 -0.06489594 -0.00005619 -0.00209568 -0.00642681 +H 4.12669683 8.88177006 6.64867504 -0.01365838 0.02289832 -0.00368387 -0.01081952 0.03711393 -0.06285119 0.01715250 -0.01166686 -0.00837501 +C 4.68522720 5.62260967 5.52586630 0.00174890 -0.00973962 0.00099957 -0.00912479 -0.04683153 0.02524761 -0.00456485 -0.00362909 0.00479479 +N 6.28163790 7.46580898 6.14914055 -0.00105553 0.00005934 -0.00181336 -0.00251405 0.02335298 -0.01918663 -0.00147154 0.00420647 -0.00421169 +C 3.31630122 5.19706966 5.51801473 0.00223379 -0.00142636 -0.00076019 -0.00344645 0.01685040 0.00426972 -0.00356133 0.00682984 0.00314105 +H 5.46953585 4.88082630 5.34615077 -0.01002468 -0.00502359 -0.00477264 -0.04526934 -0.04758686 -0.08063559 0.00108546 -0.00898104 -0.01243825 +C 7.47946549 6.88509241 5.94059677 -0.00125218 0.01012915 0.00470615 0.00600993 0.01985669 0.01860595 0.00187151 -0.00514309 0.00017826 +H 6.36386509 8.44919359 6.31653498 -0.00878278 0.02024399 0.01553967 -0.09038118 -0.01963016 0.07753088 -0.01162550 -0.00912624 0.00797204 +O 7.61227920 5.67216572 5.77183965 -0.00199020 0.00057930 0.00058579 -0.01751728 0.01620382 0.00839713 -0.00301065 0.00414748 0.00188684 +C 8.79731932 7.68071739 5.80378063 -0.00011896 -0.00210468 -0.00220785 -0.01258733 -0.02844881 0.00119657 -0.00534324 -0.00104797 0.00257340 +H 8.66938388 8.66178946 6.24751876 0.00823077 -0.01398421 -0.02195273 0.07504882 0.05644212 -0.12482675 0.00952966 0.01370481 -0.01190447 +H 9.62588437 7.10131396 6.34321733 0.01033697 -0.00396331 0.00422683 -0.05075671 0.08648971 -0.05433345 0.01024855 0.00237288 0.00498385 +H 8.99295994 7.65670649 4.68253123 -0.00130812 -0.00037201 0.01932238 0.06138071 0.07069236 0.07539634 0.01974908 0.01188241 -0.02270478 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04408466 5.49548635 5.75226219 -0.00149071 -0.00136973 -0.00111445 -0.02738379 0.00052586 0.01017582 -0.00497339 0.00022281 0.00177807 +C 2.28105830 6.02512220 5.76439542 -0.00099313 -0.00695485 0.00403757 0.00907763 -0.06037289 0.01821640 0.00470797 -0.00942942 0.00074426 +H 0.58744567 5.88345780 6.48869628 -0.03566470 0.00650696 0.00360969 -0.17690404 -0.07813946 -0.11489257 -0.02994930 -0.01013522 -0.00628244 +C 2.95004106 6.02477689 4.56787509 0.00691559 0.00150075 0.00020103 0.03305802 0.00353418 -0.01412144 0.00170933 0.00036125 -0.00211240 +H 2.52645723 6.23617587 7.89903930 -0.02023673 0.00848588 0.01023098 -0.06597402 0.09504553 -0.03215155 0.00445545 0.01852759 -0.01282512 +C 4.31126863 6.36136718 4.46629935 0.00218392 0.00334085 0.00684208 0.00440807 0.05188953 0.02572849 -0.00065236 0.01018810 -0.00070967 +H 2.37320301 5.70934222 3.70877922 -0.00547080 0.02457674 -0.02167788 0.08399810 0.21387309 -0.06972967 0.02063927 0.02633472 -0.00382343 +C 5.07726510 6.77049359 5.59180667 0.00319645 -0.00291226 0.00019857 0.01394011 -0.02481635 -0.00284276 0.00104422 -0.00362696 0.00084227 +H 4.57170557 6.62570662 3.45477648 -0.02500081 0.01773275 -0.00395254 0.05448844 -0.04756828 0.02754714 0.03950015 -0.02551984 0.00886098 +C 4.35043447 6.79015053 6.82168700 -0.00031105 0.00374348 -0.00365694 0.00563782 0.00938734 0.00231132 0.00225207 -0.00052871 0.00394110 +N 6.45481134 7.05805838 5.38907506 0.00215079 -0.00445924 -0.00415852 0.00413084 -0.02257537 -0.02275811 -0.00224269 -0.00196028 -0.00159283 +C 2.96779460 6.34883874 6.92648186 0.00014651 -0.00024718 0.00074905 0.02477878 0.01308932 0.01815006 0.00507720 0.00316464 0.00303897 +H 4.90763777 6.95081094 7.70747521 0.01180255 0.01988395 0.02389178 -0.07954626 0.15060431 0.00501127 -0.02731472 0.02057628 -0.02019440 +C 7.43959161 7.25985722 6.28676891 -0.00052840 -0.00164625 -0.00027045 -0.00320012 -0.03709353 -0.01916369 -0.00010565 -0.00822130 -0.00505782 +H 6.83708852 7.02078518 4.43405725 -0.02026943 0.01623562 -0.01255163 -0.17687314 0.11065635 -0.04880307 -0.01528227 0.01426020 -0.01272081 +O 7.28155741 7.11598903 7.49588126 -0.00266866 0.00206495 -0.00499636 -0.01712590 0.02234724 -0.02804532 -0.00238439 0.00409185 -0.00261455 +C 8.86022619 7.30640211 5.68659781 -0.00054436 -0.00095616 0.00697913 -0.00103033 -0.00042767 0.04511790 0.00037684 0.00248039 0.00586206 +H 9.16588649 6.33247588 5.20276038 -0.01541759 0.01044836 -0.01553708 -0.15647916 0.12347566 -0.10909661 -0.01977234 0.00264428 -0.02560406 +H 9.07013497 8.15059634 5.04397585 0.02154568 0.01110157 0.00971430 0.03671984 0.02155924 0.09679531 -0.01366760 -0.00221669 0.01840352 +H 9.54008761 7.39796714 6.54703672 0.00490453 -0.01481040 -0.01863937 0.09689343 -0.10490264 -0.02938004 0.01763738 -0.01884289 0.01156288 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95515964 5.82225808 5.71835988 0.00288816 0.00126166 0.00265996 0.01941904 0.00875930 0.01164530 0.00273468 0.00140440 0.00235982 +C 2.26213912 6.09893971 5.90476163 0.00320476 -0.00310918 0.00106359 0.03293415 -0.01470586 0.03066893 0.00565973 -0.00164888 0.00541470 +H 0.84472457 5.69389712 4.75450839 -0.00573468 0.00065517 0.00954306 -0.11412915 -0.03669881 0.06109029 -0.02368957 -0.01286147 -0.01158528 +C 2.66144571 6.78876312 7.06153709 -0.00249368 0.00647378 -0.00116905 -0.00023959 0.03108629 0.01143308 0.00413682 0.00176954 0.00355944 +H 2.99023597 5.25239635 4.07511610 -0.00374542 0.00261729 -0.01991349 -0.01336901 -0.02076815 0.00133820 -0.00348163 -0.01784236 0.00264232 +C 4.03321694 7.05679031 7.31885089 0.00071864 0.00040836 0.00086421 0.01571335 0.01176869 -0.01360876 0.00030672 0.00090607 -0.00720495 +H 1.92645220 7.02258648 7.83666953 0.00297753 -0.01246178 0.01147937 0.01079541 -0.01436495 0.00500912 -0.00706889 0.01213730 -0.00211485 +C 5.03645265 6.73748435 6.31415567 -0.00260446 0.00585973 0.00528569 -0.01620918 0.02846737 0.02555225 -0.00125595 0.00085260 -0.00131074 +H 4.36380809 7.65667359 8.26306564 0.00677656 -0.00917516 -0.01152592 -0.01773641 -0.10756865 -0.07867019 0.00678242 0.01061999 0.03901109 +C 4.59722462 5.97370681 5.19558544 -0.00003511 0.00176589 -0.00397033 0.01745155 0.05031843 -0.01045596 0.00183706 0.01138874 0.00324413 +N 6.38749935 7.22730243 6.44981610 -0.00576425 -0.00424442 -0.00249968 -0.02923263 -0.03367365 -0.02734304 -0.00362627 -0.00478533 -0.00387557 +C 3.26026701 5.68083147 5.03705885 0.00475313 -0.00298452 -0.00097837 0.00957969 -0.02707180 -0.04458256 -0.00103983 -0.00244992 -0.00801397 +H 5.25436763 5.90800539 4.27483270 0.00067534 0.00170539 0.01214920 0.03225359 -0.13351967 0.11283374 0.02777720 -0.03612316 -0.00612474 +C 7.49783023 7.05748130 5.61513421 -0.00161970 -0.00408159 -0.00408242 -0.04943474 -0.03673666 0.00309605 -0.00876912 -0.00607258 0.00318984 +H 6.61611264 7.74459141 7.29010568 -0.02179221 0.00146079 -0.00180833 -0.14724144 0.01016762 -0.04108486 -0.01039950 0.00353633 -0.00801339 +O 7.51584289 6.39576541 4.62236720 0.00258171 -0.00154936 -0.00295144 0.00711411 -0.02374039 -0.03993064 -0.00072194 -0.00472712 -0.00742827 +C 8.79660276 7.62213913 5.95549183 -0.00302053 -0.00058700 0.00596320 -0.00527262 0.03324019 0.04529459 0.00059566 0.00841877 0.01004134 +H 9.55516157 7.33937568 5.18594373 0.01821851 0.02437884 0.00981998 0.03749861 0.21303598 0.11145647 0.00026048 0.02829170 0.00197894 +H 8.62840275 8.68384430 5.98883441 -0.01231273 0.01852864 0.01497828 0.00346167 0.02761595 0.08546811 0.01003421 -0.00890113 0.01582995 +H 9.12596004 7.36098267 6.92731898 0.02128855 -0.00879287 -0.02082817 0.13965038 -0.14215570 0.00668310 0.00069963 -0.01648462 -0.00360859 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96881198 5.91249160 5.82788280 -0.00135664 -0.00061952 0.00290530 -0.00816435 -0.00920776 0.00510233 0.00122225 -0.00155842 0.00107783 +C 2.31755697 5.99224091 5.88135171 0.00433934 -0.00404847 0.00355692 0.03469252 -0.01508241 0.03452266 0.00209207 0.00045526 0.00440675 +H 0.64733891 5.80746574 4.93732192 0.00109812 -0.01298202 -0.02125460 0.04297800 -0.04232694 0.03377342 -0.00227903 -0.00452533 -0.00795295 +C 2.98915779 5.70058616 7.10675968 -0.00275434 0.00586507 0.00296744 -0.03637544 0.02957033 0.02974627 -0.00262280 0.00376745 0.00333882 +H 2.58248126 6.72540986 3.91349698 0.02721674 0.01178086 0.01233221 0.12896691 0.06186069 -0.08147619 0.01573726 -0.00722093 -0.00162516 +C 4.39430677 5.85833835 7.28618874 -0.00167707 -0.00772192 -0.00717614 -0.01673751 -0.03263193 -0.03127982 -0.00384794 -0.00157139 -0.00128220 +H 2.28764829 5.34532872 7.91073673 -0.03027263 0.02315770 0.02322717 0.06813112 0.19444367 0.03290986 0.01415921 0.01421234 0.02220522 +C 5.19538238 6.47087483 6.29540308 0.00013646 0.00373399 0.00320642 -0.04694501 -0.00119912 -0.03691715 -0.01134926 -0.00440841 -0.01204874 +H 4.82526767 5.67255503 8.24758067 0.00535748 -0.00641791 -0.00391979 0.00586210 -0.08374663 -0.04494468 -0.00431333 -0.01418474 -0.01189099 +C 4.48834141 6.58452492 4.98974642 -0.00459647 0.00064336 -0.00694625 0.01071825 0.01572787 -0.02009324 0.00724014 0.00257313 0.00182216 +N 6.57109152 6.65570946 6.50373915 -0.00112153 -0.00303575 -0.00158660 -0.03082390 -0.02699864 -0.02533032 -0.00560000 -0.00371932 -0.00612975 +C 3.07875607 6.45873737 4.80518803 0.00407392 0.00313134 0.00068704 0.03594780 0.01137016 0.02652393 0.00463864 0.00094255 0.00356122 +H 5.01324332 6.88836089 4.08903015 0.01631883 -0.03865329 -0.02100122 0.05988815 -0.21221605 -0.01656877 0.00385841 -0.01172997 0.00827472 +C 7.34730625 7.35241019 5.69880689 0.00178140 0.00412255 0.00452121 0.00380577 0.04282892 0.00727734 -0.00152881 0.00556227 -0.00102586 +H 6.94342633 6.02593475 7.20941993 0.00685462 0.00341136 -0.02344589 0.13102359 0.03411189 -0.05202645 0.01351248 0.00721737 0.00385020 +O 6.94658720 8.06135995 4.74597282 -0.00064409 0.00054892 -0.00088677 0.00421242 -0.00251841 0.00751599 0.00165191 -0.00054658 0.00235352 +C 8.81073369 7.28045566 5.98329131 0.00058360 -0.00008445 -0.00148575 0.02196099 0.00356955 0.00234898 0.00582884 -0.00068687 0.00153504 +H 9.01435882 7.09983435 7.02690981 0.00139701 0.01061992 0.01438564 0.00654300 0.03446506 0.01180075 -0.00146178 0.00121935 -0.01104182 +H 9.30564601 6.63226435 5.32711079 0.01714696 -0.01060849 0.00995765 0.07741338 -0.13294671 0.08456747 -0.01021408 -0.00004962 0.02620742 +H 9.29967566 8.24112803 5.73520125 -0.02026023 -0.00422544 0.00770044 -0.11397314 0.06236810 0.03914569 -0.00217405 0.02110654 -0.00097158 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.11735402 5.60640966 5.92731313 0.00288025 -0.00245859 -0.00749959 0.00456671 -0.02307125 -0.04798723 -0.00043739 -0.00189127 -0.00430073 +C 2.34724668 6.06880833 5.98437092 0.00321143 0.00768707 0.00767020 0.02833732 0.03450846 0.01782637 0.00301199 0.00089348 -0.00328916 +H 1.08070525 4.89725211 5.25402495 0.01544478 -0.01330823 -0.00055699 0.05086991 -0.06023067 0.03876741 -0.00043205 -0.02739576 -0.01017557 +C 2.71906285 6.98749421 6.94300479 -0.00111545 0.00175500 0.00617990 0.02778112 0.03141589 0.05586680 0.00580935 0.00597804 0.01004447 +H 2.88154180 4.86033892 4.28664591 0.00029636 -0.02557353 0.00184975 0.09119466 -0.03023172 0.04399203 0.01057617 -0.00245466 -0.00661504 +C 4.08548569 7.49015208 6.94430492 0.00326305 0.00765970 0.00457661 -0.02182420 0.03410745 0.03232097 -0.00476854 0.00484516 0.00536043 +H 1.99270045 7.26086374 7.65883309 -0.00759961 -0.02170182 0.01207122 -0.00346709 -0.04045592 0.10317428 0.02109567 0.00900491 0.00341042 +C 5.00641912 7.00255865 6.04278568 0.00155415 0.00683652 -0.00355139 0.00104060 0.03095241 -0.04758470 -0.00263737 0.00297055 -0.00711306 +H 4.38366789 8.15501461 7.67685174 0.00067197 0.00251700 -0.01117894 0.02255921 0.13381334 0.06402745 -0.01009831 -0.00024470 -0.00415253 +C 4.52748052 6.06290045 5.04493327 0.00652553 -0.00377981 -0.00134401 0.07437496 -0.00904799 -0.00449115 0.01018108 -0.00143200 -0.00191107 +N 6.30942199 7.50394094 6.12873587 -0.00068391 0.00075404 0.00533384 -0.02335242 -0.00783890 0.02451620 -0.00571368 -0.00196843 0.00188868 +C 3.24007905 5.62044436 5.00911584 0.00064943 -0.00192510 -0.00305278 -0.00832844 -0.02017879 -0.00651267 0.00206883 -0.00023421 0.00367073 +H 5.21142816 5.71627072 4.31811780 -0.00106794 -0.02251186 -0.00984823 -0.00453814 -0.14188475 -0.04574885 -0.00107407 -0.00618263 0.01119562 +C 7.43734730 6.91373655 5.70602773 -0.00887637 -0.00252546 0.00057124 -0.03231532 -0.02338957 0.01002210 -0.00016972 -0.00369075 0.00204020 +H 6.37020163 8.38897301 6.61559726 -0.04097362 -0.01331248 -0.00436450 -0.10660216 -0.00211141 0.06297497 0.01646381 -0.00055643 0.01436212 +O 7.45343380 5.87093692 5.01940823 -0.00159636 -0.00339029 -0.00356168 -0.00604259 -0.00823997 -0.01497841 -0.00037772 0.00104230 -0.00065689 +C 8.75669365 7.55831066 6.26243259 -0.00268783 -0.00328284 -0.00034068 -0.03559884 -0.02773938 -0.02611067 -0.00583623 -0.00054617 -0.00464121 +H 8.58186032 7.89753234 7.22516238 -0.00699698 0.00890462 -0.01031325 -0.03231156 0.07364488 0.04963607 0.00577550 -0.01482151 -0.01608597 +H 9.57413879 6.88272248 6.33302989 0.00283902 -0.01441577 -0.01720080 -0.03078702 -0.09514052 -0.12148621 -0.02342826 0.00398932 -0.01456192 +H 9.04583047 8.31247208 5.62525542 -0.00356333 0.03370434 0.01338231 -0.03777855 0.16522501 0.08997867 -0.01781193 -0.02517923 0.02548028 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04696012 5.84984626 5.92800616 0.00009940 0.00021184 0.00026995 -0.00588925 -0.00091197 0.00914547 -0.00137500 -0.00054506 0.00209280 +C 2.36151149 6.09561431 5.77003332 0.00388251 -0.00288197 0.00320972 0.01096029 -0.01736588 0.01587782 -0.00110203 -0.00088911 -0.00062059 +H 0.83522536 5.65903772 6.80088156 -0.00107198 -0.01847502 0.01392718 -0.00662170 -0.10546890 -0.02374836 -0.00145263 -0.01246826 -0.01768113 +C 2.84749773 6.61827889 4.60206994 0.00092748 0.00033264 0.00153262 0.01907756 0.00515292 -0.01951950 0.00098845 -0.00033015 -0.00608904 +H 2.83836037 5.54455086 7.76613750 -0.02223121 -0.01911457 -0.00916929 -0.05818608 -0.15171935 -0.07641068 0.01022675 -0.01890097 -0.00744161 +C 4.23103435 6.86007659 4.37630361 -0.00451455 0.00762999 -0.00755979 -0.02725752 0.03701944 -0.02270034 -0.00102133 0.00338375 -0.00049757 +H 2.19128352 6.85311743 3.77682597 0.01449093 -0.03278926 0.01277593 -0.05745169 -0.18040238 -0.02730807 -0.01706218 -0.01406121 -0.01094392 +C 5.10852895 6.60131075 5.45404643 -0.00215192 -0.00147902 0.00044978 -0.00550404 0.01975086 -0.01962973 0.00004861 0.00731479 -0.00611826 +H 4.60660427 7.24318404 3.45499960 -0.01256673 -0.00919283 -0.01468902 -0.10097136 -0.02109708 -0.10661545 -0.01653640 -0.00072637 0.00198589 +C 4.59303358 6.10287306 6.67870990 -0.00127125 0.00385477 -0.00897850 -0.00984233 0.01717798 -0.04289602 -0.00119538 0.00112863 -0.00300997 +N 6.43873258 6.99885429 5.28574478 0.00679840 -0.00311861 0.00685998 0.02295038 -0.04751998 0.06562552 -0.00017072 -0.00967196 0.00595282 +C 3.22948998 5.83827346 6.80911034 -0.00237276 0.00081746 -0.00232537 -0.01058390 0.00200756 0.00925890 -0.00008257 -0.00091976 0.00483244 +H 5.14597001 5.91403581 7.58103202 0.02911324 0.00861570 -0.01325784 0.14000224 0.04494428 -0.16803824 0.00101899 -0.00352195 -0.02351771 +C 7.33416779 7.05982860 6.30035040 -0.00607218 0.00239962 0.00742880 -0.01313673 0.03811297 0.05333774 0.00444970 0.00753290 0.00579220 +H 6.79316652 7.03409213 4.41519902 -0.00601764 -0.01125270 0.00543259 0.01753110 -0.03357592 -0.03868233 -0.00661775 -0.00131555 0.04602236 +O 7.13058068 7.19819592 7.51365114 0.00548407 0.00474900 0.00331977 0.02343348 0.02765532 0.02536098 0.00110998 0.00358878 0.00518918 +C 8.74654117 7.22477480 5.92318872 -0.00158633 -0.00781591 -0.00547628 -0.00904098 -0.05330751 -0.04872103 -0.00082024 -0.00634267 -0.00844833 +H 9.01965555 6.42988963 5.27061897 -0.01985505 0.00884048 -0.02926728 -0.07545216 0.01559124 -0.22043941 -0.00293443 0.01016307 -0.01442180 +H 8.74977297 8.15677433 5.36424348 -0.00724342 0.00073833 0.02171707 0.07619050 0.05377146 0.14154074 0.02238240 0.00326639 0.01521604 +H 9.41209109 7.15812325 6.77712174 -0.00091060 0.00317710 -0.00013088 0.00768835 0.03532930 -0.04632599 0.00247770 -0.00596824 -0.01880184 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02042715 5.82888055 5.93524676 -0.00014621 -0.00152906 -0.00128877 -0.01459482 -0.01047525 -0.00610125 -0.00102678 -0.00319154 -0.00124898 +C 2.34776526 5.93052912 5.80229588 0.00499879 0.00586855 0.00312966 0.03721158 0.01893941 0.03120022 0.00296593 -0.00254627 0.00547447 +H 0.52728827 6.59140534 6.24394977 -0.01938519 0.01115049 0.00223459 0.01001383 -0.02415288 -0.06217119 -0.00122765 0.01578953 -0.00721338 +C 3.18925689 4.80654400 5.93805644 0.00218299 -0.00374646 -0.00128678 0.00288756 -0.03173609 0.00989541 -0.00141204 -0.00228889 0.00270242 +H 2.28550050 8.06814724 5.63642099 0.00513241 -0.02105156 0.02926067 -0.03579028 0.01234990 0.22109163 -0.00124507 0.01232624 0.02399273 +C 4.62447265 4.88666840 5.95123783 -0.00876015 0.00171241 -0.00004199 -0.05421192 0.04858743 -0.00564181 -0.00487506 0.01070862 -0.00095274 +H 2.65343064 3.91734889 6.29639147 0.01080862 -0.02207974 0.00561837 0.16528054 -0.11672814 -0.15202033 0.01899339 -0.02195281 -0.03834018 +C 5.15091872 6.23210047 5.84990134 0.00571355 -0.00008842 -0.00360866 0.01400808 -0.00195500 -0.02308621 -0.00185462 0.00076646 -0.00264991 +H 5.28066375 4.01824860 6.07179576 -0.01418191 0.00294319 0.01351284 -0.13395973 0.03453307 0.09281933 -0.01464303 0.00224650 0.00925934 +C 4.28061140 7.34098059 5.78375950 -0.00308338 -0.00293018 -0.00011778 0.00043017 -0.00720435 0.00178658 0.00363788 -0.00001895 -0.00016199 +N 6.50117708 6.47266088 5.96021867 0.00058779 -0.00164274 0.00483241 0.02601427 -0.00780993 0.03801283 0.00535007 -0.00165936 0.00599978 +C 2.90127044 7.19295596 5.77687321 0.00598531 0.00272817 -0.00344779 0.03240362 0.01540151 -0.03303584 0.00080063 0.00229240 -0.00435393 +H 4.66627364 8.37209696 5.84100775 -0.02471016 0.00496550 0.00687798 -0.11855932 -0.01055894 -0.01544804 0.00578713 0.00957843 -0.00725664 +C 7.33530307 7.56766091 5.86375958 0.00086243 0.00145420 -0.00390217 -0.02149829 -0.00295774 -0.00959021 -0.00481792 -0.00228315 0.00167770 +H 6.96536059 5.70136677 6.36276373 -0.01093549 -0.00524090 0.02971605 -0.01989983 -0.02341851 0.09253708 0.00457305 0.00821171 -0.00774661 +O 6.98675594 8.76178464 5.70958721 -0.00285559 0.00405349 -0.00036550 -0.01272940 0.00641803 -0.00708162 -0.00100210 -0.00249050 -0.00171250 +C 8.75502684 7.17953940 6.21440967 0.00019863 -0.00144052 0.00129041 0.01318196 -0.01979372 -0.01602860 0.00192446 -0.00025941 -0.00381693 +H 9.23149001 7.93546884 6.80838667 -0.02840453 -0.01377940 -0.00303858 -0.12029054 -0.01734837 0.16612675 -0.01094201 -0.01265026 0.02858006 +H 8.81555709 6.16334340 6.66539078 0.01244603 -0.02235483 -0.02758255 0.07074857 -0.00894227 -0.12789031 0.00738052 -0.00073559 -0.00184229 +H 9.42848410 7.11373438 5.34046714 0.01221140 0.00581378 -0.00234534 -0.03624000 0.09743656 -0.00377460 -0.00755535 0.02451742 -0.01100501 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96074751 5.64447471 5.88774154 -0.00713926 -0.00480898 0.00163939 -0.04738933 -0.02234815 0.00325259 -0.00530354 -0.00136814 -0.00042924 +C 2.25204030 6.03426457 6.00534877 -0.00467057 -0.00130584 0.00282010 -0.01133433 -0.03051323 0.02244648 0.00090993 -0.00638348 0.00134631 +H 0.65121322 5.89551767 5.05851719 0.00883782 0.01752135 -0.01399173 -0.00103077 0.04732857 0.01462337 -0.01160420 -0.00392421 0.01607164 +C 3.00263270 5.60990664 7.14077135 -0.00481246 0.00032484 0.00294660 -0.01402398 0.02525535 0.01610174 0.00133058 0.00512013 0.00316208 +H 2.34883391 6.86931711 4.04154982 -0.01629681 0.00013151 0.03081645 -0.09565003 0.03806197 0.04471196 0.00522279 0.00462146 -0.00903105 +C 4.40541749 5.94346749 7.23298124 0.00275027 0.00114692 -0.00773378 0.01033953 0.01039591 -0.05263713 -0.00101422 0.00257516 -0.00853119 +H 2.45571196 5.19218803 7.93499497 -0.01142331 -0.01528649 0.00497674 0.02281400 -0.09135781 0.02512278 0.02654994 0.00251433 -0.01210533 +C 5.10679413 6.50408448 6.12436310 0.01117779 0.01167910 -0.00277414 0.01981306 0.06069171 -0.01736223 -0.00525904 0.00480500 -0.00156798 +H 4.95542127 5.78917044 8.17108415 0.03476576 0.01960607 -0.00300758 0.06450884 0.02926965 -0.14395858 -0.00750429 -0.01763447 -0.01412051 +C 4.35399935 6.84891377 4.94924225 0.00566909 0.00316233 -0.00227286 0.03314943 0.01838430 -0.00439068 0.00095187 0.00172151 0.00053878 +N 6.47250410 6.59551914 6.26556484 -0.00256466 -0.00136734 0.00296921 0.01848083 0.01147523 0.00832736 0.00744833 0.00451715 -0.00031957 +C 2.91754781 6.61925305 4.92298043 -0.00249976 -0.00416028 -0.00358716 0.02104434 -0.01903247 -0.01338419 0.00665804 -0.00129648 0.00082075 +H 4.98899920 7.27536406 4.16383617 0.02214924 0.00743073 -0.00792344 -0.10316181 0.00527736 -0.05651374 -0.03311137 0.00211972 -0.01710012 +C 7.42637967 7.33065655 5.62085721 0.00823821 -0.00265413 0.00389725 0.04207072 -0.03627047 0.04353367 0.00196943 -0.00573457 0.00414748 +H 6.86050134 6.00502278 7.01779146 -0.00332989 0.00676427 -0.00830674 -0.02954655 0.04709960 0.03953657 -0.00167559 0.00075129 0.02521116 +O 7.34090233 7.91270303 4.57645814 -0.00280036 0.00051196 0.00214721 -0.02809646 0.00820482 0.00863479 -0.00457757 0.00076624 0.00221164 +C 8.77418989 7.37474302 6.34193212 0.00092688 -0.00223416 0.00216882 0.01320160 -0.03043366 -0.00324188 0.00266195 -0.00532648 -0.00138837 +H 9.17357721 6.37268566 6.45968628 0.00465993 -0.00027497 0.00347046 0.02880970 -0.02763762 0.01864608 0.00381956 -0.00486941 0.00345017 +H 9.52031938 7.92950797 5.78518986 -0.01790571 -0.00699853 -0.02521427 -0.10087619 -0.01094778 -0.13962753 -0.00960396 0.00175091 -0.00355269 +H 8.75864106 7.80215070 7.33645519 -0.02799585 -0.01269401 -0.02814107 -0.20605410 0.04607385 -0.00047786 -0.01657120 0.01530365 0.00486863 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97993964 5.69378006 5.79984258 -0.00116105 0.00127181 -0.00290683 0.01248837 0.01986553 -0.01658254 0.00222720 0.00209805 -0.00337778 +C 2.33818313 6.09134215 5.85369184 -0.00333415 -0.00675235 0.00131693 -0.03808858 -0.01383006 0.02804403 -0.00229210 0.00194330 0.00524285 +H 0.84765051 5.04205636 5.17164737 -0.00912921 0.00675135 0.01143439 -0.07968528 -0.04325635 0.01573053 -0.00121555 0.01383390 0.02162704 +C 2.65893705 7.32467161 6.55690638 0.00964367 0.00153964 0.00006470 0.06131309 -0.03510237 -0.02151958 0.00463591 -0.00885053 -0.00457135 +H 3.06138326 4.49154256 4.65810945 -0.03056317 -0.00381406 0.01207383 -0.07322641 -0.11802522 0.12249011 0.02328215 -0.00270491 0.03219913 +C 3.99079223 7.78629895 6.60239234 0.00929936 0.00325940 0.00365054 0.04765468 -0.00147185 0.01525974 0.00178257 -0.00107312 0.00245746 +H 1.86233561 7.84305125 7.07426509 0.02030282 -0.02097826 -0.02902492 0.00868863 0.03981271 -0.10548163 0.00054994 0.02098121 -0.00740817 +C 5.02353152 6.98760851 6.01376037 -0.01134448 -0.00011844 0.00577119 -0.07253011 -0.00649408 0.03688265 -0.00165049 -0.00199332 0.00271822 +H 4.23657778 8.69193332 7.12258646 0.00915464 -0.01930875 -0.01586080 0.08243085 0.07225759 -0.02497897 0.00669890 0.01588066 -0.00194740 +C 4.61746566 5.72044579 5.48661923 -0.00101487 0.00003184 -0.00504737 0.02368724 0.00645061 -0.04386269 0.00685066 0.00191900 -0.00703906 +N 6.29333228 7.50226336 5.98410880 -0.00343173 0.00835216 -0.00034226 -0.00666417 0.04247428 0.00412817 -0.00334115 0.00149288 0.00125004 +C 3.31495029 5.30153266 5.26347671 0.00752022 -0.00322809 0.00031968 0.01330635 -0.00670984 0.01425259 -0.00624132 -0.00113758 0.00322923 +H 5.34520821 5.00701672 5.11676208 -0.01028352 0.01650989 0.00189151 0.08634880 0.07880625 -0.09103996 0.02645915 0.00775957 -0.02453059 +C 7.50672563 6.87463040 5.85871645 -0.00457691 -0.00450563 -0.00327176 -0.06859651 -0.01022464 -0.02275432 -0.01043913 0.00357527 -0.00269839 +H 6.42473025 8.49149786 6.25134797 -0.02097097 0.00389541 -0.00264145 -0.14705995 0.05102046 -0.07061890 -0.00855274 0.02163025 -0.01409129 +O 7.56657336 5.65132965 5.80480336 0.00169935 0.00264711 0.00156670 0.01704960 0.00844042 0.00853298 0.00221820 -0.00082467 0.00081389 +C 8.73299020 7.72551424 5.77531483 0.00001373 -0.00233897 0.00259748 0.01328848 -0.03275276 0.02223001 -0.00015982 -0.00320939 0.00114865 +H 8.64076358 8.61383112 6.37297794 0.00946489 -0.00475608 -0.01626155 0.03377747 0.07112955 -0.06225888 0.00156733 0.00316918 -0.00542814 +H 9.53636207 7.10860351 6.29957502 -0.00571858 -0.01876426 0.00505081 -0.05594320 -0.01905688 -0.05743161 0.02053980 -0.00837394 0.00005379 +H 9.03102617 7.91968333 4.76864108 0.00292997 0.00653308 -0.00499670 0.00634362 0.02100014 0.00400366 -0.00392800 -0.00795960 0.01703887 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00725625 5.71907986 5.56164544 -0.00377935 0.00228538 -0.00006138 -0.03517761 0.00518938 0.01913185 -0.00369889 -0.00055204 0.00424098 +C 2.30620929 5.95101248 5.71219022 0.00053558 -0.00254131 -0.00334724 0.02935058 0.00881551 -0.01238924 0.00375806 0.00343708 -0.00030205 +H 0.52633275 5.87019496 6.40146916 0.00790144 -0.00660047 0.00388632 0.01948281 -0.08298272 0.03399476 -0.01407771 -0.01395826 0.02668412 +C 2.84493943 6.52104802 4.57541914 -0.00610444 -0.00888538 -0.00282502 0.01126782 -0.05936447 -0.01534893 0.00948291 -0.00645102 -0.00471901 +H 2.60271243 5.48061158 7.74880922 -0.00827691 0.00863342 0.00557178 0.08742585 0.16512097 0.03812303 0.02167784 0.02973271 0.00980844 +C 4.19378592 6.96981735 4.59376055 0.00410338 0.00211932 0.00340795 0.00524278 0.00387495 0.00738398 -0.00324104 0.00011635 -0.00425037 +H 2.23406372 6.42934470 3.69842449 0.00293570 -0.00676156 0.01755062 -0.00625790 0.06426298 -0.06962659 0.00753379 0.02039411 -0.01267440 +C 5.04129428 6.90245087 5.75684284 -0.00654800 0.00027242 -0.00258927 -0.04579727 0.01428373 -0.02369954 -0.00365778 0.00302366 -0.00071264 +H 4.56854793 7.22642385 3.63840210 0.00616896 0.02326421 0.00978035 0.07721436 0.21344302 0.07492077 0.00278910 0.02405891 0.02473757 +C 4.46963638 6.41862305 6.94136232 0.00138962 -0.00204355 0.00162591 0.00038101 -0.01827423 -0.00170717 0.00031120 -0.00227559 -0.00184640 +N 6.33327892 7.40287829 5.60540971 -0.00310642 0.00098067 0.00294581 -0.00829628 -0.00841241 0.04542342 -0.00032918 -0.00039424 0.00612593 +C 3.10856473 5.95297406 6.91756335 0.00698626 0.00618453 -0.00571041 0.01353400 0.02086532 -0.03796815 -0.00216314 0.00015089 -0.00374461 +H 5.06774751 6.34750634 7.80389621 0.01099209 0.01196787 -0.00543863 0.02530891 0.05844325 0.04772702 -0.01950712 0.00288150 -0.00242995 +C 7.47662308 7.04386165 6.28294354 0.00151974 0.00004366 0.00298153 -0.02313896 -0.00628018 0.01370550 -0.00518470 -0.00226107 0.00131782 +H 6.45447305 8.03512035 4.87089805 -0.00044400 -0.00217616 0.02952665 0.03498236 0.06426356 0.01887456 0.00268927 -0.01263950 0.01233908 +O 7.51872796 6.35547472 7.29106189 0.00189214 -0.00079288 0.00264301 0.00769711 -0.00548488 0.02263120 0.00021448 -0.00059806 0.00354091 +C 8.74727819 7.34439827 5.61921635 0.00203667 -0.00281437 -0.00512375 0.02605124 -0.00671295 -0.05406825 0.00581603 0.00043387 -0.00858957 +H 9.58476097 7.16422575 6.23977777 0.00689385 0.00813167 -0.01875300 0.10258056 0.06989122 -0.03011782 -0.00357549 0.00708422 -0.00661210 +H 8.84915296 6.61999296 4.84453852 -0.00913036 -0.00006623 -0.00430172 -0.03326899 -0.03314992 -0.10266757 0.00180610 0.00962593 -0.01273850 +H 8.77898603 8.27774445 5.08191035 0.00938366 0.01762086 0.01825425 0.04271346 0.11219532 0.17334750 -0.00048397 0.00214058 0.02448158 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.10371198 5.68484969 5.81062907 -0.00222883 -0.00278340 -0.00036820 -0.04191945 -0.02215530 0.00567362 -0.00722612 -0.00385707 0.00017651 +C 2.34473481 5.99716191 5.90774557 0.00412867 0.00070208 -0.00176107 0.05494325 0.01781260 0.01681128 0.00417858 0.00256972 0.00704604 +H 0.82400095 5.28294914 5.00215214 0.00227137 0.00003914 0.02372425 -0.00520828 -0.06268673 -0.02475906 0.00416103 -0.00255470 -0.00050450 +C 2.88623143 6.22272780 7.21325082 -0.00454366 0.00151142 0.00664116 -0.04283471 0.01873193 0.03110851 -0.00423210 0.00429150 0.00119671 +H 2.63507095 6.19564009 3.78999529 -0.00800510 -0.02908028 -0.01871952 0.12473043 -0.22031679 0.02410919 0.02889001 -0.02989483 0.01211536 +C 4.20101321 6.69021283 7.40852319 0.00560027 -0.00099647 -0.00954664 0.00917936 -0.02671400 -0.07329211 -0.00488574 -0.00525441 -0.00636501 +H 2.16956750 6.12993080 7.99765568 -0.02647386 0.00233542 0.01990107 0.01243184 0.04667937 0.08110297 0.02533756 0.01112051 0.00055188 +C 5.03939115 6.64029123 6.26493883 -0.00016319 0.00108944 -0.00236983 0.03072835 0.02618997 -0.00821933 0.00738896 0.00568720 -0.00248055 +H 4.61248703 6.94820712 8.35896736 -0.02527431 0.01714499 -0.01534222 -0.13074854 0.09278023 -0.02057409 -0.00829568 -0.00018159 -0.01192537 +C 4.50765251 6.39756363 4.96103628 -0.00015098 0.00716222 0.00150426 0.00460414 0.05308490 -0.00503068 0.00117324 0.00756971 -0.00282215 +N 6.40448781 6.94946824 6.56758812 0.00209147 0.00115780 -0.00412980 -0.00662637 -0.00231488 -0.04338907 -0.00150789 -0.00150379 -0.00550826 +C 3.13467711 6.20604810 4.75451577 0.00133621 -0.00242346 0.00316313 0.00227326 -0.02547017 0.01887631 0.00265105 -0.00466498 0.00240487 +H 5.09916492 6.42491817 4.08970889 0.01276619 0.00598000 -0.01802517 -0.00831734 0.03868392 -0.01896813 -0.01585623 0.00492724 0.01416419 +C 7.37666810 7.16258159 5.64621205 -0.00071323 0.00126467 0.00279344 0.01600636 0.00666848 0.01817502 0.00445994 0.00054639 0.00120292 +H 6.57831536 6.95246793 7.54496644 0.00916796 -0.02046057 -0.00622847 0.14711855 -0.09069281 -0.06358690 0.01837300 -0.00479404 -0.02471650 +O 7.20270122 7.18218408 4.43781814 -0.00162920 0.00088944 0.00445934 -0.00733268 0.00938611 0.02580020 -0.00004841 0.00192994 0.00273578 +C 8.82497613 7.36482626 6.12834715 0.00062231 -0.00062053 0.00093522 0.00423347 -0.01537237 0.03068345 -0.00015856 -0.00498531 0.00417461 +H 9.00828538 6.83859422 7.10232312 0.01174254 -0.02575576 -0.02458942 -0.01147960 -0.16893658 -0.12791821 -0.00787469 -0.02816790 0.00986198 +H 9.67074460 7.00944046 5.56442384 -0.00146220 -0.00645774 0.01062533 -0.08303904 -0.03640003 -0.12513396 -0.02794733 0.00848908 -0.03275431 +H 9.07168388 8.42640260 6.38717473 -0.01544198 -0.02139703 0.00490494 -0.11461016 -0.01881396 0.03220613 -0.00638585 0.02390784 0.01160305 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01932480 5.72692708 5.79928154 -0.00163477 -0.00435684 0.00001447 0.00738046 -0.02884286 -0.00271497 0.00367710 -0.00496740 -0.00129267 +C 2.33020552 6.10618882 5.87148771 0.00918990 0.00126867 -0.00096046 0.00297404 0.02324182 0.01209207 -0.00793237 0.00245339 0.00266505 +H 1.01935779 4.98165548 5.27643563 0.01141508 -0.02179919 0.02203298 -0.02936424 -0.15066367 0.16371788 -0.01623100 0.00417453 0.03799219 +C 2.60061685 7.41477830 6.43732932 -0.00178277 0.00002818 -0.00225504 0.03497738 -0.01861947 -0.03749584 0.00645057 -0.00135206 -0.00582136 +H 3.05961535 4.23985442 5.04748022 -0.00970112 -0.00824421 0.01110778 -0.04406606 -0.04591231 0.09314079 0.00533579 0.01481162 0.01641882 +C 3.97883977 7.84080225 6.40532418 -0.00232535 -0.00243914 0.00332283 -0.02592316 -0.02131621 0.03655079 -0.00365464 -0.00214312 0.00670272 +H 1.88036039 8.07461097 6.78866925 0.02012854 0.00918441 -0.00493132 -0.01731406 0.05457580 -0.02876734 0.00591146 -0.02356792 -0.01883320 +C 5.01378517 6.94219804 6.00652556 0.00127010 0.00392616 0.00677900 -0.01609943 0.02410399 0.05002475 -0.00293173 0.00309783 0.00675141 +H 4.25380689 8.78852228 6.81341951 -0.00847727 0.01701618 0.00546070 -0.11286568 0.03099956 -0.05061890 -0.02035277 -0.01052939 -0.01664064 +C 4.62510614 5.57633479 5.65833422 0.00098187 0.00345006 0.00286610 0.02392124 0.04253799 -0.00515641 0.00451432 0.00708073 -0.00492950 +N 6.28774939 7.51401937 6.04294652 -0.00005167 0.00908428 -0.00216023 0.02249795 0.04118247 -0.01913117 0.00487160 0.00200978 -0.00336382 +C 3.29382460 5.17388445 5.48755227 -0.00155519 0.00146569 -0.00591176 0.01007597 0.03029603 -0.02738919 0.00402630 0.00608693 -0.00123416 +H 5.35651388 4.88894219 5.29626589 -0.01351368 -0.00296626 -0.02331561 -0.03320071 -0.00537884 -0.06168851 0.00460505 0.00988697 0.01078503 +C 7.48070320 6.93065931 5.81053050 -0.00183937 -0.01471090 -0.00668305 -0.00795924 -0.07030759 -0.03171709 -0.00059227 0.00154324 -0.00051686 +H 6.40816290 8.45791742 6.33342326 0.00071160 0.01207243 -0.01897839 -0.05250089 0.09941740 -0.11269352 -0.00860524 -0.00124497 -0.01613252 +O 7.52289715 5.74796217 5.42813868 -0.00362773 0.00143259 0.00240036 -0.01664507 -0.00530918 0.01073257 -0.00118042 -0.00574090 -0.00013240 +C 8.83503736 7.66575230 6.07476024 0.00215172 0.00183876 0.00002742 -0.01924113 -0.01390914 0.00091427 -0.00813375 -0.00529014 0.00177186 +H 8.67898405 8.25679302 6.95662772 0.00492003 -0.01422808 0.00659515 0.06605916 0.00270043 0.04307077 0.01060601 0.00096670 -0.00498403 +H 9.68550695 6.98397402 6.29021164 -0.00819226 -0.00343702 -0.00249300 -0.08624153 -0.05434911 -0.02706871 -0.00503824 -0.01850877 -0.00257498 +H 9.09857838 8.23675153 5.14281493 0.01437576 -0.00578424 0.02975368 0.11143276 0.08574409 0.14543057 0.01479311 0.02929233 -0.00088460 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.08619423 5.67388355 5.56366985 0.00026438 -0.00239978 -0.00143208 0.00791943 -0.02966225 0.00195602 0.00214836 -0.00318492 0.00155971 +C 2.32514818 6.10602965 5.88973337 0.00270069 0.00721165 0.00015503 0.01628667 0.02233266 -0.01803432 0.00093972 -0.00354447 -0.00513123 +H 1.12706509 4.74034419 5.72012019 -0.00048390 -0.02299806 0.01717367 -0.11059966 0.01562432 0.04959585 -0.02670996 -0.00758690 0.00550558 +C 2.66772379 7.43728395 5.64042479 0.00104060 -0.00353259 -0.00559987 -0.00542148 -0.01210898 -0.02961406 -0.00478813 0.00379608 -0.00282227 +H 3.18812570 4.15529750 6.30933600 0.00320959 0.00808331 0.01995645 -0.04036807 -0.01401848 0.12872547 -0.00905311 0.01262840 0.00891186 +C 3.98264758 7.88040018 5.73974720 -0.00040392 -0.00263769 0.00616832 -0.02488185 0.00656917 0.02644104 -0.00331167 0.00470081 0.00133836 +H 1.90890676 8.07604983 5.31880254 -0.00291779 0.00054592 0.03218039 -0.06510919 0.08239402 0.15130065 0.00901542 -0.00206438 0.01170050 +C 4.99332846 7.03516191 6.04167091 0.00194116 0.00073007 -0.00635760 0.05175720 0.00160896 -0.02815175 0.01039749 0.00019280 -0.00157754 +H 4.11852421 8.91139294 5.47781115 -0.00046738 -0.01334147 0.01352012 0.06763684 0.03183061 0.10258629 0.00979100 0.01166782 0.01754620 +C 4.69442241 5.68967960 6.33748901 0.00454959 0.00704965 -0.00084979 -0.00642924 0.01037417 -0.00928313 -0.00617622 -0.00201791 -0.00296721 +N 6.28618321 7.56713215 6.04548098 0.00930023 0.00227336 0.00115217 0.06633150 0.00503604 0.00716396 0.00586319 -0.00073907 0.00050292 +C 3.35369618 5.19523321 6.18434034 -0.00512430 -0.00208405 0.00099833 0.00127422 0.01304755 0.02144550 0.00462590 0.00398816 0.00559089 +H 5.41988141 4.91938191 6.67175171 0.00678423 -0.00456992 -0.01626266 0.02182613 0.07711486 -0.13186066 0.01029693 0.00314319 -0.00809786 +C 7.43384422 6.82705841 5.93288697 0.00181346 -0.00015455 -0.00634804 -0.00640995 0.03844760 -0.05031304 -0.00283600 0.00466625 -0.00764675 +H 6.47160679 8.57024961 6.07075248 0.00247536 0.01206121 -0.00070901 -0.05990201 -0.00781212 0.00048470 -0.00814226 0.00249188 0.00190197 +O 7.42952088 5.65758838 5.74904352 -0.00452429 -0.00191445 0.00217595 -0.01791411 -0.03441127 0.01091202 -0.00030253 -0.00535936 0.00092829 +C 8.75449010 7.62757382 5.91585943 -0.01142555 -0.00429324 0.00092912 -0.07521001 -0.03152841 0.02305402 -0.00921017 0.00104391 0.00654467 +H 9.35469718 6.90252399 6.54215071 -0.00023775 -0.01013741 0.01964693 0.04474731 0.16353235 -0.05879001 0.02532845 0.02645598 -0.01360348 +H 9.09724379 7.87207777 4.88238335 -0.00075566 0.02594323 0.00739747 0.01041531 0.01306509 0.12083969 0.00455627 -0.01516489 0.00660574 +H 8.60810059 8.54186871 6.38190828 -0.01074302 0.01402045 0.00921376 -0.04746690 0.00446362 0.10135930 -0.00241865 -0.03851202 0.00254170 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.08533786 5.75663383 5.45662762 -0.00435158 0.00032249 -0.00047526 -0.01233626 -0.00096816 0.00008413 0.00033087 0.00052203 0.00082829 +C 2.37397207 6.11998702 5.74965613 0.00164343 -0.00171230 0.00125543 -0.00545456 0.01274610 0.03910758 -0.00479110 0.00532623 0.00945148 +H 0.49880722 6.49266708 5.63280774 0.00816272 -0.01754875 -0.00240641 -0.08067916 -0.02823130 -0.01055865 -0.01491736 -0.00570997 -0.00384246 +C 2.64250521 7.39922900 6.34601783 0.00127687 0.00673096 0.00352234 -0.00077399 0.01225883 -0.00496192 -0.00355197 0.00002260 -0.00361928 +H 3.12053233 4.13537284 5.66833178 0.00697813 -0.00416084 -0.01302127 0.04844870 0.02145831 -0.16239053 0.00460059 0.02538855 -0.02462299 +C 3.98297851 7.78265175 6.55235732 0.00193665 -0.00061723 -0.00259868 0.00978003 -0.00510564 -0.02601532 -0.00100751 -0.00349527 -0.00614068 +H 1.80853793 7.97069306 6.51685990 -0.01155733 0.00588321 -0.00270055 0.01078816 0.16128822 0.00729613 0.04352712 0.00906476 -0.00470119 +C 5.03524842 6.86876154 6.23399999 -0.00579777 -0.00536273 -0.00623626 -0.02639407 -0.01809637 -0.02315525 0.00056567 -0.00082660 0.00007606 +H 4.22306038 8.82004648 6.92223098 -0.00471650 0.00888896 -0.02356092 -0.04036919 -0.03170202 -0.16817160 0.00448713 0.01616561 -0.01068542 +C 4.76406670 5.52609089 5.92030745 0.00784013 -0.00790652 0.00184773 -0.00123639 -0.05920022 0.01828617 -0.00693853 -0.00715483 0.00356051 +N 6.30376609 7.35490414 6.42312666 -0.00020667 -0.00687518 -0.00099192 0.00588188 -0.02525355 0.00127322 0.00190280 -0.00284703 -0.00073591 +C 3.39999961 5.14916029 5.75041556 -0.00696788 0.00746807 0.00561946 -0.01686030 0.03251631 0.02917672 0.00282959 -0.00155882 0.00156443 +H 5.46615611 4.72482333 5.89340705 0.00302475 -0.01573501 0.00171686 0.08736342 -0.01978584 -0.02404643 0.00490532 0.01734028 -0.00779361 +C 7.38509060 6.96990649 5.75501472 0.00419597 -0.00195669 0.00276916 0.02941635 -0.04007018 -0.01138553 0.00219453 -0.00688873 -0.00340070 +H 6.37415946 8.18679799 6.97903879 0.00582824 0.02374296 0.00657275 0.04904410 -0.05158763 -0.03958245 0.00772654 -0.01575824 -0.00205300 +O 7.32881652 6.09406836 4.85909545 0.00305227 0.00514965 -0.00380672 0.02484264 0.04372159 -0.02015180 0.00410411 0.00596017 -0.00319325 +C 8.77638764 7.51620608 6.05046302 -0.00143957 0.00194994 0.00208119 -0.02658176 0.01280061 0.01826624 -0.00281680 0.00173334 0.00394921 +H 8.78771960 7.90397968 7.06194839 -0.00055449 -0.00665516 -0.00485750 0.05218563 0.06905243 0.01422928 0.00543946 0.01956140 0.00156804 +H 9.37292202 6.61554807 5.99249499 -0.01553968 0.02879404 0.01040576 0.08790804 0.02963377 0.13122168 0.02454845 -0.00097197 0.01968039 +H 9.19560311 8.10100511 5.24244455 -0.00015912 0.00223253 0.01117047 -0.04088468 0.14361957 0.08431450 -0.01609685 0.02461801 0.01537913 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98605656 5.88728347 5.99648742 -0.00165269 0.00057865 0.00173254 -0.00862027 -0.00389313 0.01394139 -0.00014383 -0.00192407 0.00295189 +C 2.34004979 5.89542821 5.95091339 0.00310207 0.00460592 -0.00553828 0.00644063 0.03630848 -0.02107596 -0.00225867 0.00506897 0.00022080 +H 0.58819829 6.13943828 5.14050691 -0.01343377 -0.00677980 0.01518976 -0.11281018 -0.03192293 0.07701519 -0.02121277 0.00165358 -0.00623232 +C 3.10144882 5.51331553 7.09745143 -0.00063455 0.00457501 -0.00801450 0.01071858 0.02286373 -0.05258118 0.00115661 -0.00024142 -0.00506690 +H 2.44916325 7.03800755 4.08321556 -0.00910631 0.00602670 0.00065521 -0.09441801 -0.08066034 -0.02008316 0.00189535 -0.03605412 0.00868088 +C 4.48559766 5.79029718 7.18130308 0.00273443 0.00204198 0.00068098 -0.02974612 0.01991572 -0.00286420 -0.00850617 0.00303330 0.00196683 +H 2.73893212 5.09701426 8.00089907 0.01880535 -0.03058411 -0.01599579 -0.06367827 -0.17838362 -0.16298290 -0.02489711 -0.00406207 -0.04056109 +C 5.05652324 6.51328153 6.10728974 -0.00637005 -0.00256002 0.00469561 -0.01782316 -0.02910156 0.02685432 0.00414916 -0.00413233 0.00240325 +H 4.90333216 5.53117627 8.10627716 -0.01534554 0.01242857 0.01113903 0.06515563 0.07287876 0.03067400 0.01417087 0.00970551 -0.02807479 +C 4.30585380 6.79870291 4.91643320 0.00284550 -0.00272492 0.00634203 0.03293099 -0.00501746 0.04854568 0.00386185 -0.00078576 0.00789879 +N 6.37475184 6.77732133 6.34233852 0.00173643 -0.00426628 -0.00207178 0.02311479 -0.01892765 -0.01387509 0.00350307 -0.00188398 -0.00071579 +C 2.94923604 6.55314996 4.86037781 0.00232427 -0.00289783 0.00066707 0.01496387 -0.01103943 0.00524758 0.00127731 0.00154928 -0.00156742 +H 4.71600699 7.43278503 4.07110531 -0.00302428 -0.02397676 0.00497509 0.09291976 -0.18556480 0.04903529 0.04011592 -0.00742862 -0.01518997 +C 7.36398344 7.37850951 5.65853033 -0.00228821 0.00489083 0.00247030 -0.00329299 0.02974062 0.00728375 0.00211222 0.00366905 -0.00118513 +H 6.74133876 6.45614899 7.20162532 0.01702854 -0.00747424 0.00178610 0.01342142 -0.04719666 -0.00988332 -0.01300963 -0.00280528 -0.01105081 +O 7.40759886 7.80225567 4.50983564 -0.00321100 -0.00069669 -0.00332191 -0.04231419 -0.00451878 -0.02024047 -0.00856966 -0.00057955 -0.00183940 +C 8.66437018 7.37944334 6.39467626 0.00076936 0.00271994 -0.00095498 0.03134674 0.02376470 0.01404081 0.00710994 0.00133766 0.00263647 +H 8.92374223 6.37718743 6.69925872 -0.00818063 0.00242344 -0.00677049 -0.05476343 -0.03225617 -0.04020190 -0.00806033 -0.00095668 -0.00478895 +H 9.43327319 7.69079371 5.68501350 0.01355116 -0.01410726 0.00454098 0.09124843 -0.07142517 0.05029619 0.01074646 -0.00218959 0.00858948 +H 8.78330012 8.02175356 7.28951619 0.02318801 -0.00371233 0.03434621 0.00753282 -0.09078358 0.01565102 -0.01620264 -0.00512971 -0.00614757 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.05079167 5.64157024 5.78411929 0.00622828 -0.00796827 0.00367054 0.02592851 -0.04752322 0.02063213 -0.00025497 -0.00649941 0.00356836 +C 2.30933807 6.08009491 5.90392460 -0.00573869 0.00829407 0.00036452 -0.02686556 0.08436264 0.00210820 0.00119756 0.00993052 -0.00008782 +H 0.89895908 4.99361754 6.44899212 -0.00457542 0.00869607 -0.01637959 -0.06830790 -0.09561940 -0.00140761 0.00009497 -0.00707512 -0.00860279 +C 2.57356235 7.47508142 6.08577034 0.00037298 0.00629196 0.00134312 -0.00371525 0.03612633 0.00402759 -0.00326280 0.00647573 -0.00017287 +H 3.25441636 4.17375121 5.55113026 -0.00381127 0.02865004 -0.01715797 -0.11123039 0.01200033 -0.10711152 -0.02156987 -0.02209759 -0.00877715 +C 3.92609999 7.90639993 6.08354617 -0.00327955 -0.00205011 -0.00395881 -0.02173502 0.01867470 -0.00969627 -0.00014308 0.00530976 0.00178871 +H 1.79707225 8.18760467 6.20726318 0.00226961 0.01520163 -0.00245139 -0.00365430 0.07151388 -0.01325985 0.00535473 -0.00383966 -0.00052541 +C 4.96829270 7.02954234 5.94585205 0.00002538 -0.00284837 0.00485134 0.02424481 -0.01393999 0.02317187 0.00277322 -0.00221932 0.00098879 +H 4.16839417 8.95103731 6.22451800 0.01547101 -0.00055299 0.02765162 0.00065407 -0.03782615 0.12705332 -0.01447063 0.00196128 0.00545860 +C 4.65786637 5.71269973 5.75886101 -0.00993588 0.00047110 -0.00533569 -0.04009366 -0.03189737 -0.02975815 0.00225255 -0.00830690 -0.00258683 +N 6.30367868 7.51485323 5.96897385 0.00122190 -0.00601655 -0.00427591 -0.00332429 -0.03930094 -0.02967457 -0.00197072 -0.00084830 -0.00394837 +C 3.35291440 5.24879863 5.74105523 0.00176560 -0.00137464 0.00007777 -0.00037593 -0.01588682 -0.00639314 -0.00654867 -0.00074361 -0.00205072 +H 5.36130761 4.93129785 5.66909783 -0.00991467 -0.01089955 0.00709809 0.00147309 -0.01913621 -0.01446262 0.00084962 0.00995734 -0.01290890 +C 7.47891802 6.83119283 5.89067420 -0.00067424 -0.00161973 -0.00196096 -0.00096636 0.01583334 -0.01701806 0.00170134 0.00468251 -0.00280880 +H 6.38470500 8.46098386 6.00823495 -0.02180465 0.00535243 -0.02071673 -0.06765432 0.02296255 -0.08895978 0.00431193 -0.03887268 -0.00457866 +O 7.57737859 5.65480025 5.67432250 0.00317824 0.00395089 0.00209102 0.02092297 0.00391762 0.01182485 0.00276019 -0.00246858 0.00132233 +C 8.77877981 7.59810227 6.06822052 0.00225369 -0.00049078 0.00275409 0.01464633 0.01690236 0.02240943 0.00569272 0.00145090 0.00368287 +H 9.41328402 7.62618459 5.24082453 0.03891752 0.00140113 0.01046758 0.11815122 0.01095351 0.02547288 -0.02567349 0.00052679 0.01771573 +H 8.61186152 8.61644072 6.46402963 -0.00164763 0.02333036 0.00615181 0.02676646 -0.02439090 -0.01379671 0.00444447 -0.00730628 -0.00146043 +H 9.30528450 7.03355963 6.75710540 0.00006113 -0.00332924 -0.00447581 0.06006633 -0.01504045 0.11650773 -0.00936543 0.02331683 0.00577450 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04739639 5.61470589 5.68604220 -0.00256000 0.00021077 -0.00215859 -0.01070574 0.00830913 -0.01621821 -0.00149917 0.00257384 -0.00194139 +C 2.36111376 5.97308820 5.83130249 -0.00132086 -0.00491254 -0.00292395 -0.02912613 -0.03639987 -0.01952158 -0.00437892 -0.00558978 -0.00204633 +H 0.49380037 6.32689803 6.02798916 0.03469146 -0.00645139 0.01270362 0.08733965 0.02940694 0.09798973 -0.00622460 0.00295945 0.00833327 +C 3.13116565 5.01288709 6.43669921 0.00182986 -0.00090335 0.00467919 0.03321666 -0.02550599 0.02347660 0.00656702 -0.00575210 0.00131104 +H 2.19262988 7.86231205 4.94236133 -0.01042614 -0.01065058 0.01324724 -0.04008539 0.09007334 0.01130081 0.02069758 0.01025284 0.00455408 +C 4.53344118 5.18003909 6.52995480 0.00259991 0.00803266 -0.00380897 0.01555983 0.04825887 -0.00845189 0.00107602 0.00619793 0.00149028 +H 2.63013567 4.10228591 6.67713192 0.01568558 -0.02313372 0.00724873 0.17863104 -0.07847852 0.10282848 0.02992878 0.00773045 0.01880086 +C 5.12630382 6.39577593 6.10968109 0.00224726 0.00088565 -0.00347106 0.01099050 -0.00609459 -0.01757173 -0.00100506 -0.00163230 -0.00192295 +H 5.13908003 4.35243489 6.94512536 0.02622252 0.02622871 0.02246135 0.06921864 0.22906635 0.07863470 0.00436964 0.01311773 0.00925014 +C 4.27757899 7.39539327 5.54325168 0.00421466 -0.00165977 0.00568416 0.01275038 -0.01041180 0.02721669 -0.00061401 -0.00102002 0.00157444 +N 6.53981833 6.43396122 6.23224187 -0.00631211 0.00064342 0.00018885 -0.04428987 0.01040215 -0.00995555 -0.00408284 0.00363347 -0.00358558 +C 2.87348446 7.20353663 5.40004983 -0.00735549 0.00273984 -0.00122595 -0.02165234 -0.00607341 0.00624974 0.00031911 -0.00244319 0.00196989 +H 4.66590190 8.29998745 5.10165122 0.04239381 -0.03002354 0.01719110 0.20121824 -0.06809696 0.10605988 -0.00719102 0.00979677 0.01075774 +C 7.35419217 7.41777376 5.86407024 -0.00138931 -0.00122450 -0.00956124 -0.00270681 -0.00587336 -0.05916805 -0.00090424 -0.00085700 -0.00625568 +H 6.98461796 5.56626665 6.55200274 -0.00855009 0.00970678 0.00802008 -0.04265728 0.05851448 0.05802215 -0.00039508 -0.00257132 0.01098586 +O 6.95967583 8.52688456 5.53021642 0.00559480 0.00282449 0.00195451 0.04045694 0.02433676 0.01002286 0.00622816 0.00416808 0.00065648 +C 8.87678363 7.18235880 5.83898339 -0.00530606 -0.00520701 0.00105672 -0.04100516 -0.01610781 0.02331949 -0.00452527 0.00016291 0.00469680 +H 9.32822447 6.76692861 6.75940430 -0.01615868 -0.01055738 -0.01718568 -0.17306072 -0.22657909 -0.04275912 -0.03175018 -0.04831280 0.00762859 +H 9.20224901 6.66527894 4.92301609 0.00524144 0.01296843 0.02159040 0.07713066 0.04097140 0.02953883 0.00937861 0.00097428 -0.01096899 +H 9.28426587 8.17043007 5.90719632 0.00382602 0.00159470 0.02938381 0.04731882 -0.04399334 0.08640362 0.00415356 -0.02116482 0.00113610 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.93474995 5.78941449 5.85155824 0.00049754 -0.00323527 0.00755855 0.01404675 -0.02283975 0.04714954 0.00436365 -0.00318083 0.00775259 +C 2.30383591 6.02167259 6.00731094 -0.00027753 -0.00896465 -0.00171943 0.01115384 -0.03525872 -0.04642741 0.00417956 -0.00029563 -0.00969889 +H 0.59028362 5.74729497 4.96244068 -0.00159868 -0.00651390 -0.01576844 0.07769928 -0.00890411 0.06647979 0.00589584 0.00162479 -0.00315126 +C 3.00601346 5.66642704 7.14315061 0.00430839 0.00821623 -0.00144528 0.03578793 0.05619641 -0.01084598 0.00184067 0.00575256 -0.00198241 +H 2.53921452 6.86467259 4.08364888 0.01210341 -0.00035478 0.01434720 -0.00519442 0.12783348 -0.08058261 0.00084520 0.02707095 -0.00686144 +C 4.40446810 5.86768053 7.23043662 0.00457604 0.00044868 -0.00316198 0.00432845 -0.00008964 -0.04371859 -0.00144210 -0.00088569 -0.00364553 +H 2.52872283 5.27362678 8.02112617 0.00265188 0.01094323 -0.03553749 -0.09863007 -0.02382188 -0.07611456 -0.01015251 -0.00417984 0.00174600 +C 5.14677404 6.37081851 6.10417921 -0.00655064 0.00343241 -0.00036021 -0.00748666 0.02360890 0.02394973 0.00441393 0.00316595 0.00471307 +H 4.80949154 5.50092881 8.14030643 -0.04353580 0.01202639 -0.01238658 -0.01646471 0.08679285 0.07384765 0.02716614 0.01931858 -0.00218034 +C 4.48236340 6.79867047 4.93926307 0.00089539 -0.00792796 -0.00055568 -0.03077337 -0.05412666 0.01139131 -0.00719760 -0.00627154 0.00351993 +N 6.51914130 6.55898887 6.34306778 0.00248016 -0.00074689 -0.00473011 0.00042891 0.00367029 -0.03208515 -0.00274062 0.00125279 -0.00358751 +C 3.07662442 6.62966137 4.96142477 -0.00038291 0.01230659 -0.00215764 -0.02499781 0.05407973 -0.00973172 -0.00831989 0.00311382 -0.00353129 +H 4.86437396 7.28003499 4.03919353 -0.00268789 -0.00910264 0.01500782 0.12685647 -0.07777014 0.07011810 0.02503623 -0.01542741 0.00488795 +C 7.35435128 7.35736850 5.66059580 0.00170804 0.00104250 -0.00328164 0.01535188 -0.01791353 -0.00946343 0.00144486 -0.00550222 0.00075741 +H 6.90919171 6.24154454 7.20217170 0.00491976 -0.00431618 0.00694618 -0.03678748 -0.03869176 -0.03517674 -0.01179748 -0.00514608 -0.01689715 +O 7.16310772 7.83039336 4.56297530 0.00017898 -0.00139351 0.00214523 -0.00280217 0.00177163 0.00127019 -0.00053883 0.00195736 -0.00173021 +C 8.71632289 7.48875919 6.28023957 -0.00561157 -0.00064190 0.00479755 -0.04059340 -0.00639293 0.05739918 -0.00070002 -0.00120772 0.00865977 +H 9.26569083 6.60378490 6.12448588 -0.02428624 0.00851274 -0.01076079 -0.03515067 -0.05387721 -0.12807796 -0.00438945 0.00713628 -0.01134840 +H 9.21254803 8.33942037 5.89068218 -0.00561683 -0.01893706 0.02072603 0.06992288 0.02374149 0.06106305 0.00269688 -0.00194331 0.00521494 +H 8.57993751 7.55858903 7.35767538 0.02875333 -0.00268641 0.02308283 0.17692174 0.00854198 0.05282157 0.01095398 -0.00105748 -0.00275302 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95962901 5.79288148 5.76746673 -0.00106579 0.00338842 -0.00421353 -0.00805631 0.02116648 -0.02159803 0.00130897 0.00202782 -0.00330145 +C 2.32541115 5.93490605 5.83460289 0.00011617 0.00091526 0.00365473 0.01856006 0.01041654 0.01621575 0.00344897 -0.00084937 -0.00017363 +H 0.36561330 6.15464475 6.42485904 -0.01480622 0.00910572 0.01168994 0.09357524 0.06351005 -0.01652526 0.01431298 0.02389301 0.01021715 +C 3.19897793 4.87465850 5.57578435 0.00057693 -0.00286353 -0.00594009 -0.00893725 -0.04330909 -0.02027929 -0.00345361 -0.00745892 0.00140485 +H 2.25668299 7.96945275 6.38545765 -0.00147632 0.00291113 -0.00168231 0.08920841 0.03122510 -0.05418468 0.01625686 0.01110792 -0.01000350 +C 4.61809558 5.02290285 5.58810637 -0.00767130 -0.00727327 0.00611258 -0.04974953 -0.02959240 0.02703277 -0.00474348 -0.00065991 0.00135435 +H 2.72450797 3.91387975 5.48797136 0.01893329 -0.03431686 0.03459888 0.17097560 -0.10235534 0.09066611 0.01511286 0.00263414 -0.01212283 +C 5.15945061 6.31096016 5.80389112 0.00240393 -0.00108249 -0.00326720 0.00528005 -0.00808170 -0.01793221 -0.00179844 -0.00151315 -0.00137433 +H 5.29099274 4.20788789 5.34532748 -0.02201443 -0.01746044 -0.00160886 -0.17741812 -0.12524045 0.06255472 -0.01957851 -0.01387205 0.01950234 +C 4.33425142 7.40717874 6.09558030 -0.00093700 0.00190706 0.00093751 -0.01082689 -0.00894851 0.00853497 -0.00151139 -0.00612699 0.00039479 +N 6.52535432 6.42147603 5.80170567 0.00009697 0.00224972 -0.00314582 0.01377077 0.02657961 -0.00641326 0.00441415 0.00296406 0.00143652 +C 2.94294094 7.18640671 6.10259793 0.00876204 -0.00486070 0.00034668 0.01746981 -0.01758531 0.01231750 -0.00331759 0.00038113 0.00299683 +H 4.72836676 8.38340239 6.44461951 -0.00409153 -0.00423390 -0.00386526 -0.07884022 0.00951420 -0.09308765 -0.00619490 0.02154902 -0.01572454 +C 7.33004957 7.49468661 6.03175324 0.00709362 0.00377619 0.00668658 0.01341762 0.00835539 0.03886553 -0.00400441 -0.00031311 0.00419843 +H 6.94032011 5.52157039 5.80996703 -0.01424142 0.01020392 0.01070545 0.06521438 0.00700720 -0.01045804 0.01923796 0.01499361 -0.01421609 +O 6.93706658 8.62801234 6.26479999 -0.00010978 0.00551408 -0.00003210 0.00849930 0.03919703 0.00033096 0.00266949 0.00485530 0.00022313 +C 8.79609961 7.21511207 5.96477638 -0.00495490 -0.00415573 -0.00052704 -0.00478219 -0.02503001 -0.02625686 0.00151794 -0.00335240 -0.00493351 +H 8.99657952 6.22999736 5.52373826 -0.00591298 0.00168718 -0.04386807 -0.04464855 0.07461772 -0.16669276 -0.00099685 0.01217556 -0.01380090 +H 9.22723886 7.87771874 5.14014166 -0.02183224 0.03398741 0.01133818 -0.14841862 0.17602470 0.26182780 -0.00268433 0.03518934 0.03025006 +H 9.30412020 7.33657122 6.94092217 0.01853311 -0.01194971 -0.00157769 0.06513103 -0.10603282 -0.10616392 0.00522415 -0.02107237 -0.01129143 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97156086 5.85497371 5.93026952 -0.00379813 -0.00158102 0.00121281 -0.02781782 -0.00942171 -0.00633544 -0.00262912 -0.00082495 -0.00055222 +C 2.28370948 6.07539598 5.70484235 0.00431441 0.00601619 -0.00242074 0.00876436 0.03085290 0.00106835 -0.00449385 0.00185923 0.00256884 +H 0.59631270 5.91191038 6.76565631 0.03449848 -0.02649390 0.01875317 0.26942854 -0.17596379 0.09407567 0.03886713 -0.02391840 -0.02470617 +C 2.87451400 6.26408609 4.43655098 0.00046453 -0.00723131 0.00113050 0.00293131 -0.06151655 0.00103332 0.00344900 -0.00773760 0.00146783 +H 2.52073145 6.06705363 7.82487510 0.00269606 -0.02668767 0.01148590 0.14342685 -0.25977924 -0.01336991 0.02240789 -0.03899050 0.00249248 +C 4.27441754 6.42781109 4.38510004 -0.00349879 0.00037943 0.00178651 -0.00275590 0.01933283 0.00308765 0.00159935 0.00400736 -0.00071615 +H 2.25185280 6.07207710 3.52031599 0.00925321 0.02039673 -0.02218741 0.12339237 0.19706877 -0.00207713 -0.00049517 0.02178728 -0.00702615 +C 5.08540687 6.62632491 5.54442851 0.00212753 0.00073603 -0.00012627 0.00988873 -0.01580510 -0.00486166 0.00011324 -0.00426884 -0.00171920 +H 4.77946792 6.50065579 3.43130921 -0.00798967 -0.00351029 -0.00854671 -0.10579054 -0.01035716 -0.03189669 -0.01319243 0.00505491 -0.00408033 +C 4.44075367 6.34015351 6.79156845 -0.00150571 0.00600796 -0.00731095 0.00255880 0.04324079 -0.02156231 0.00038859 0.00538978 -0.00078204 +N 6.47737414 6.92234691 5.39135034 0.00025831 0.00038867 -0.00042337 -0.01505343 0.00606764 0.02025161 -0.00279197 0.00145970 0.00461699 +C 3.06157828 6.05164289 6.85669037 -0.00141912 0.00317441 -0.00040984 0.00123558 0.04246294 0.00676984 0.00367579 0.00798950 0.00050828 +H 4.95674008 6.41160791 7.76107839 0.00831776 -0.01963118 0.02168586 0.01117964 -0.10350840 -0.10980083 0.01229177 -0.00640435 -0.02008685 +C 7.45944521 7.07868517 6.32781539 -0.00023356 0.00127852 -0.00423094 -0.00477020 0.02530163 -0.01286859 -0.00200837 0.00487939 0.00319640 +H 6.68904615 7.39495789 4.52664179 0.02414566 -0.00904722 0.00855700 0.14249748 -0.16596434 -0.02223307 0.00453530 -0.03999497 -0.00638360 +O 7.42403908 7.01343384 7.56465109 0.00232658 0.00002623 0.00503321 0.00370893 -0.01008920 0.01283396 -0.00119928 -0.00264470 -0.00242502 +C 8.69936518 7.69927401 5.71791131 -0.00432433 -0.00073307 0.00052196 -0.01167211 -0.01865470 0.01151851 0.00066213 -0.00191582 -0.00041943 +H 9.61354099 7.18014237 6.04484818 0.00587175 -0.01273022 -0.01168765 -0.06080751 -0.10862440 -0.14497094 -0.01130184 -0.02134155 -0.01885377 +H 8.58782533 7.75218592 4.66460674 -0.00183252 0.00573927 0.00973558 0.05148942 0.07173855 -0.04864234 0.01108104 0.01208941 0.00639999 +H 8.85741401 8.68081517 6.13369550 -0.00663716 -0.02348469 0.01073484 -0.05662855 0.00367551 0.08280111 -0.00497793 0.00492924 0.00643418 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.05752892 5.93744551 5.66002120 0.00025663 0.00707881 -0.00205468 0.00262213 0.02066670 -0.01073540 -0.00012570 0.00126867 -0.00128574 +C 2.38867215 6.15232683 5.86152579 -0.00049257 -0.00185772 0.00207889 -0.03704638 -0.03851092 0.00078498 -0.00845946 -0.00440610 -0.00083024 +H 0.88776498 4.98361563 5.67238468 0.01161414 -0.01292388 -0.00371896 0.02655361 0.06514200 -0.05460012 -0.01401224 -0.01696963 -0.01233480 +C 2.68293136 7.45310402 6.04842441 -0.00634038 -0.01079655 -0.00618261 -0.00088990 -0.01482083 -0.02221914 0.00658276 0.00512980 -0.00061536 +H 3.23386384 4.07781583 5.67727959 -0.01135047 -0.00523458 -0.00355552 -0.16986610 0.06045639 -0.02190668 -0.02645812 0.03318049 0.00128065 +C 4.01383386 7.82336823 6.12407445 0.00674879 -0.00172203 0.00295503 0.01969368 -0.02255855 0.02953337 -0.00155867 -0.00077573 0.00572843 +H 1.98080571 8.23823621 6.27667523 0.01545443 0.02629294 -0.00573957 0.00621384 0.00714120 -0.18166101 -0.01641393 -0.01982673 -0.04133210 +C 5.02666639 6.86527563 6.10213414 0.00519259 -0.00228305 0.00299052 0.01865356 -0.01387526 0.02473941 -0.00006185 -0.00322790 0.00397539 +H 4.21462141 8.81433202 6.36995040 -0.01001140 -0.01063381 -0.00394595 0.01051748 0.08455016 -0.05725765 0.00687884 -0.00879068 -0.01777011 +C 4.70663482 5.49054470 5.99006212 0.00246739 -0.00390550 -0.00008539 0.02331887 -0.02357236 -0.00971549 0.00296232 -0.00159886 -0.00278894 +N 6.25378702 7.43230286 6.24018553 0.00030667 -0.00183645 0.00040823 0.00861735 -0.02747096 -0.00041083 0.00253715 -0.00508204 -0.00049071 +C 3.38079359 5.11088693 5.80710939 -0.00490509 0.00809544 0.00603703 -0.03453624 0.04560638 0.04266257 -0.00372505 0.00078906 0.00532291 +H 5.42649187 4.69903867 5.97778082 0.01652422 -0.00797736 -0.02810499 0.05861446 0.01995228 -0.13922419 -0.00539889 0.00997870 -0.00814510 +C 7.37168064 6.82462649 5.87622115 -0.00336681 0.00231577 0.00145731 0.03448108 0.02413752 -0.01433439 0.01081820 0.00265911 -0.00503896 +H 6.32047932 8.41631665 6.44135156 -0.01331593 0.00113383 -0.00244441 -0.06973061 -0.02923570 0.01049199 -0.00226305 -0.00925976 0.00548461 +O 7.54489578 5.68195942 5.39709497 0.00083084 -0.00162014 -0.00109883 -0.00057062 0.00688859 0.00442415 -0.00040005 0.00394873 0.00226930 +C 8.60030067 7.80888983 5.90586085 -0.00376218 0.00445989 0.00192335 -0.02428568 -0.00199244 0.01157246 -0.00326017 -0.00164744 0.00000213 +H 9.14128861 7.48933897 6.83592127 0.01828227 0.00802092 -0.00721066 0.10969282 0.12816401 -0.11048970 0.02205116 0.01747717 -0.00352509 +H 9.27764270 7.63692081 5.05971565 0.00427679 0.01303210 -0.02561599 -0.12677409 0.12597278 -0.02767702 -0.02955901 0.01463854 0.00420222 +H 8.27887226 8.84819476 6.01505215 0.00012690 -0.00498636 -0.00843150 0.00974933 0.02542426 -0.06276667 -0.00103520 0.00405786 -0.00523175 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.90101681 5.72264409 5.87661838 -0.00026081 0.00214002 0.00188822 0.02109579 0.00730190 0.01088342 0.00610551 0.00109307 0.00145412 +C 2.26162523 6.06408349 5.89885915 0.00192687 0.00031455 -0.00329121 0.00841496 0.05811875 -0.02237781 0.00085172 0.01097248 -0.00359945 +H 0.75670348 4.84478022 5.62106192 -0.00866141 -0.02102425 0.01885152 -0.02618903 -0.00712698 0.17492940 0.00286230 0.00893393 0.02904372 +C 2.64158280 7.48304759 5.94628052 0.00316481 0.00370676 -0.00266029 -0.02140289 0.00429625 -0.01141796 -0.00628542 -0.00130839 0.00054764 +H 3.09443614 4.14067293 5.69777458 0.01686314 -0.01335311 0.00776919 0.10830748 -0.05834630 0.11409738 0.00811531 0.00308104 0.02049897 +C 3.96241358 7.92135853 5.95852249 -0.00400715 0.00553169 0.00381688 -0.00642231 0.01663486 0.02943085 0.00141900 0.00046001 0.00358859 +H 1.87578405 8.26635369 5.95502042 -0.00405981 0.01687986 0.03112721 0.02532340 -0.04484915 0.21306214 -0.00514142 -0.01472279 0.02292492 +C 5.00565478 6.97103647 5.80364101 -0.00104191 -0.00327282 -0.00453304 -0.00868164 -0.00097838 -0.02422486 -0.00248590 0.00227307 -0.00189088 +H 4.17499206 8.91362293 6.23252755 -0.01785361 0.01679651 0.00799620 -0.08821280 0.09952689 -0.07940122 -0.00502911 -0.01239687 -0.02885257 +C 4.66892360 5.58605223 5.74458527 0.00319215 -0.00184038 0.00034290 0.02895648 -0.00305406 0.00106986 0.00419002 -0.00065048 -0.00015944 +N 6.33096536 7.50785406 5.75746317 -0.00794201 -0.00615059 -0.00439297 -0.04083204 -0.06844230 -0.02049707 -0.00314262 -0.00967035 -0.00215104 +C 3.32565903 5.17087478 5.84769533 0.00220680 0.00079680 -0.00236509 0.01467890 -0.01887145 -0.03139689 0.00203914 -0.00402656 -0.00580331 +H 5.45225515 4.90393063 5.59353191 0.02042982 -0.00931306 0.00990837 0.00415898 -0.08247248 0.07879402 -0.02464789 -0.00039138 0.01265655 +C 7.52401364 6.83829315 5.99320745 -0.00122275 0.00143550 0.00345595 -0.03669809 0.04348336 0.00564699 -0.00611012 0.00537275 -0.00155504 +H 6.38064336 8.50123657 5.55448446 -0.00840245 -0.02712638 -0.02050132 -0.02454450 -0.07817182 -0.11032322 -0.00135691 -0.00508185 -0.00739650 +O 7.60531191 5.64845643 6.07746794 0.00184600 -0.00107969 -0.00047924 0.01974651 -0.01688362 0.00405640 0.00331108 -0.00130089 0.00156115 +C 8.77545425 7.72285634 6.02919707 0.00125517 0.00065905 0.00192933 0.03498593 0.00533344 0.01209120 0.00526498 0.00097492 0.00719763 +H 9.64133736 7.12829316 5.65325439 0.01460334 -0.00218688 -0.02039059 -0.07552358 0.08011533 -0.13800775 -0.01021628 0.01116374 -0.02267460 +H 8.73100975 8.69073343 5.45711210 0.00161586 0.01405283 0.01414805 -0.05672108 -0.02961342 0.09554763 -0.01636323 0.00445694 0.00156478 +H 9.19031255 7.98063340 6.91590616 0.00543913 0.00655704 0.02914782 -0.11226657 -0.02661999 0.18966988 -0.04070916 -0.02499379 -0.02578343 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94603243 5.76283247 5.85773706 0.00655747 0.00466614 0.00300735 0.01803831 0.01261986 0.02164599 -0.00048002 0.00084074 0.00329058 +C 2.21668725 6.12096926 5.92177017 0.00109216 -0.00391500 -0.00585285 0.04248583 -0.00970219 -0.04375611 0.00884203 0.00173021 -0.00623932 +H 0.80788766 4.83214123 5.81831848 -0.00176464 -0.01627927 -0.02085492 0.01904152 0.06318356 -0.13169562 0.00129102 0.00286819 -0.02064715 +C 2.57435589 7.47158057 6.00739528 -0.00863138 0.00373647 -0.00430597 -0.03814324 0.02153760 -0.01537496 -0.00025976 0.00247890 0.00000234 +H 3.04359116 4.09118701 5.83105606 -0.02226652 0.01069856 -0.00684976 -0.13891275 0.00239270 -0.11451530 -0.01007187 -0.01835140 -0.02004968 +C 3.93695001 7.86088665 6.05376705 0.00004531 0.00330815 0.00135645 -0.00364021 0.02880129 -0.01081708 -0.00281532 0.00313509 -0.00367275 +H 1.78123849 8.18921205 6.10894541 -0.00854372 -0.00424193 0.01964778 -0.05174124 0.02272222 0.06566829 -0.00018574 0.00258616 -0.00295036 +C 5.01845619 6.97071236 5.89323288 -0.00239118 0.00063004 -0.00242894 -0.01509112 -0.02252755 -0.01612021 -0.00125047 -0.00400595 -0.00163715 +H 4.21989335 8.91751122 5.96370379 0.00079079 -0.00650891 0.01843779 -0.05654464 0.02922390 0.24291205 -0.01144201 0.01643483 0.04264290 +C 4.59706478 5.58550974 5.76065980 -0.00136333 -0.00640751 0.00400801 0.01374317 -0.01199145 0.02631285 0.00389219 0.00059401 0.00356368 +N 6.38496377 7.43488947 5.89312743 0.00412176 0.00486976 0.00325219 -0.01659461 0.02298076 0.02825071 -0.00897781 0.00059702 0.00448275 +C 3.24534164 5.17524874 5.80940320 -0.00012289 -0.00824357 0.00006473 0.00501874 -0.04972349 0.00466153 0.00191905 -0.00380920 0.00043862 +H 5.41603289 4.88537088 5.57642818 -0.00744258 0.00948382 0.01397423 -0.03471704 -0.08816355 0.12969483 0.00108837 -0.02776280 0.01981735 +C 7.57538569 6.83680169 5.82778004 -0.00668204 0.00556164 -0.00041628 -0.02563610 0.00901201 0.01269881 0.00102025 -0.00283037 0.00392621 +H 6.52492886 8.38265520 6.25317622 0.01929572 -0.00989840 0.00832256 0.02695608 0.02405336 -0.00636628 -0.01518248 0.02007081 -0.00810804 +O 7.76774397 5.61039441 5.68948818 0.00102109 -0.00229535 0.00085586 0.00128203 0.00884330 0.00336647 -0.00113004 0.00493610 0.00010992 +C 8.69814868 7.81007987 6.19604906 0.00080599 0.00389018 -0.00187816 0.04246434 -0.01369757 -0.03136357 0.00466179 -0.00649001 -0.00727749 +H 9.38312811 7.88225469 5.30406964 0.01813647 -0.00429338 -0.02268852 -0.04478146 -0.01075522 0.02918001 -0.00361428 0.00545217 -0.00594051 +H 8.32882606 8.83585642 6.39465485 -0.00035850 -0.03024809 -0.00793945 0.00376289 -0.02719055 0.04141268 0.00890411 0.01581919 0.01933212 +H 9.35896463 7.45020748 7.04707545 0.03010408 -0.03685704 0.00408025 -0.05175235 -0.10004290 -0.16697230 -0.01124547 -0.00751102 -0.01052958 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95979392 5.77742409 6.02746120 -0.00184987 0.00389913 -0.00044722 0.01160745 0.02094749 -0.00451315 0.00365864 0.00271036 -0.00208799 +C 2.35611742 5.89157883 5.91489515 -0.00039226 -0.00129478 -0.00931130 -0.01849463 0.00959932 -0.02426668 -0.00378894 0.00359356 0.00286957 +H 0.39706632 6.21044723 5.38413305 0.01283961 -0.00709919 0.01192563 0.05324647 0.03261356 -0.06014496 0.01235142 0.00540155 -0.01183427 +C 3.07992018 5.56667282 7.11716684 0.00303584 -0.00199542 0.00085701 -0.00706731 -0.01074864 -0.05051890 -0.00529615 -0.00341865 -0.01155278 +H 2.41306138 7.07498925 4.07050805 -0.00207029 0.01328627 -0.00497070 0.01427831 -0.02568363 -0.05236668 0.00928625 -0.02384560 -0.00030096 +C 4.42680508 5.82386651 7.14893899 0.00228221 0.00160487 0.01283330 0.02698420 0.01759567 0.07830874 0.00367440 0.00477383 0.00507088 +H 2.55032109 5.17158233 7.94176771 -0.00502291 -0.02064436 -0.04609701 -0.05731323 -0.23549042 -0.12117675 0.00959522 -0.02097226 -0.01398485 +C 5.05727219 6.48749007 6.12408601 0.00464855 0.00412147 -0.00171782 0.02870780 0.02091796 -0.03064083 0.00184452 -0.00051918 -0.00174958 +H 5.06017826 5.49820330 7.99022543 -0.00300188 -0.00219939 -0.00028225 -0.06916205 -0.01311966 0.11832864 -0.00756392 -0.00235252 0.03651433 +C 4.42049720 6.84007530 4.90388285 -0.00103802 -0.00114956 -0.00041464 -0.04391228 -0.01710559 0.01459100 -0.01121622 -0.00342153 0.00461273 +N 6.39148482 6.68727058 6.30065474 -0.00028232 -0.00004196 -0.00080876 0.01841335 -0.00445120 0.01854846 0.00541076 -0.00038372 0.00395577 +C 2.99279195 6.62841627 4.84335748 -0.00611018 -0.00192529 -0.00077365 -0.01951794 -0.01482707 0.00289145 -0.00020154 -0.00156177 0.00019724 +H 5.03216626 7.27739875 4.06920447 -0.01239544 -0.00775805 0.01050671 -0.14883202 0.02873751 0.02382529 -0.01506254 0.02160750 -0.01787512 +C 7.38401759 7.33151994 5.64919789 -0.00225349 -0.00397589 0.00115291 -0.00462381 -0.02137705 0.01877555 0.00230400 -0.00097491 0.00205526 +H 6.60622430 6.30400241 7.21846967 0.00253301 -0.00209967 0.01469321 0.11279809 0.03863451 -0.03572030 0.02792912 0.00092027 0.00027304 +O 7.27784341 7.94506848 4.61728310 -0.00446522 -0.00084139 0.00285235 -0.03828519 -0.00321535 0.00798358 -0.00644172 -0.00057006 0.00012777 +C 8.73763954 7.33636199 6.33941052 0.00791736 0.00322829 -0.00730108 0.04520126 0.01099233 -0.02833308 0.00488183 -0.00133201 -0.00129413 +H 9.02050057 8.30683098 6.78049990 -0.00523540 0.01168733 0.00190767 -0.05870970 0.02723713 -0.07919314 -0.00645536 0.00519590 -0.01595778 +H 8.76413947 6.63448989 7.15377674 -0.00064534 -0.01042963 0.01110416 0.01152383 0.01236831 -0.03670727 0.00353618 0.01621158 -0.01540277 +H 9.43997425 7.03515687 5.55404555 0.02075663 -0.00617388 0.02998563 0.22301432 -0.02586968 0.15901949 0.02828894 0.00328161 0.01221947 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.90350800 5.80701852 5.59338049 -0.00325666 0.00107050 -0.00175051 0.01156865 0.01302103 -0.00502596 0.00613351 0.00252987 0.00037386 +C 2.25263044 6.16693108 5.81176437 0.00205353 -0.00668593 0.00538591 -0.00506331 -0.04385562 0.03260491 -0.00160619 -0.00288334 0.00411895 +H 0.83031843 4.84435760 5.44278272 0.01588567 0.01208531 0.00982593 0.03493564 0.01226799 0.04722136 -0.00891296 -0.01525202 0.00191829 +C 2.55273615 7.51877607 6.06040012 0.01196969 0.00102709 -0.00041212 0.04869459 -0.01574615 -0.00822612 0.00241375 -0.00870953 -0.00205654 +H 3.08993416 4.13635659 5.75828093 -0.01363052 -0.00970838 -0.02232076 -0.06743635 0.00873110 -0.17942361 0.00522923 0.02662327 -0.01959734 +C 3.90597857 7.85868226 6.18241379 -0.00169556 0.00482843 -0.00391256 0.04147628 0.02480067 -0.01547618 0.01151829 0.00508814 0.00027267 +H 1.76444669 8.27787182 6.11327524 -0.03185105 -0.00911555 0.00772061 0.01179200 -0.14962884 0.00870910 0.01784890 -0.00803048 -0.00337393 +C 5.01636630 6.92421972 6.20689815 -0.00005304 0.00159043 0.00062627 -0.03931463 -0.01819740 -0.01153031 -0.00739325 -0.00288246 -0.00322322 +H 4.20691797 8.85944226 6.26257584 -0.00530386 -0.01739206 0.01349399 -0.05769365 0.11682483 0.09541037 -0.01236109 0.01040057 0.00535839 +C 4.62285892 5.53617285 6.10265485 0.00407495 0.00090000 0.00016757 0.04637688 0.02671885 -0.00938774 0.00620774 0.00396779 -0.00339912 +N 6.36616802 7.30095116 6.23854299 -0.00686456 0.00408744 -0.00128090 -0.04216558 0.04768075 0.00958035 -0.00438758 0.00762274 0.00293307 +C 3.28970556 5.16663420 5.81207596 0.00314725 -0.00065234 -0.00003002 0.01261430 -0.00271903 0.01345194 0.00090864 -0.00186189 0.00295268 +H 5.43209054 4.82532371 6.16644715 0.03136559 0.01937636 -0.00740871 0.06549876 0.05757335 -0.07541960 -0.01046011 -0.00535583 -0.01307156 +C 7.57397315 6.80923956 5.88911123 -0.00385739 -0.00055180 0.00191290 -0.03602728 0.00220886 -0.01745211 -0.00603612 0.00121071 -0.00674700 +H 6.43321126 8.21005630 6.67017402 0.00319498 0.00758039 -0.00446764 0.03157148 0.07303371 -0.08474847 -0.00007432 0.01717526 -0.01579256 +O 7.78126298 5.73600511 5.35539489 -0.00419815 -0.00668430 -0.00179246 -0.03843738 -0.04940429 -0.00320736 -0.00698499 -0.00608684 0.00134886 +C 8.71525369 7.80121082 5.83252690 0.00234687 0.00569332 0.00063153 0.01463384 0.01801947 0.02486296 0.00097360 -0.00240230 0.00288882 +H 9.55558441 7.35874583 6.37674675 -0.00019753 -0.02372559 0.00704367 -0.04893404 -0.05630544 0.00423304 -0.00395931 0.00391230 -0.00054434 +H 9.00823563 7.92404099 4.83182725 0.00255294 -0.00817742 -0.00335141 0.03491312 0.02116166 -0.04411441 -0.00141857 0.01436157 0.02306995 +H 8.45615336 8.79237932 6.27258778 -0.00262380 -0.01189070 0.02143225 0.01408106 -0.06424094 0.12026096 0.00534293 0.00765751 0.01580754 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98274274 5.47941540 5.95172942 -0.00336357 -0.00317288 0.00083093 -0.01474760 -0.01375867 -0.01018148 0.00005892 -0.00030074 -0.00070253 +C 2.25399775 5.97946260 5.96683509 -0.00283687 -0.00082478 0.00815734 -0.00023695 0.00972497 0.03303091 0.00305054 0.00377925 -0.00066899 +H 0.78905372 5.39736963 5.00055326 0.00568970 -0.02033591 -0.01240549 -0.05081978 -0.15579736 0.06163389 -0.02483814 -0.02829451 -0.01195556 +C 3.02033725 5.80971791 7.12940160 0.00306842 0.00140080 -0.00641659 0.02083906 -0.00690750 -0.01908796 0.00232915 -0.00282778 0.00100605 +H 2.33851673 6.76634272 3.89312040 -0.00950609 -0.02181920 0.00560016 0.03145686 -0.13603592 0.10132085 0.00861360 -0.00706262 0.00176949 +C 4.41805243 5.97976650 7.15201058 0.00383416 0.00304664 -0.00099869 0.00373680 0.03092261 0.01718127 -0.00237970 0.00578743 0.00423049 +H 2.57887196 5.42311704 8.05723130 -0.01095771 0.01045541 -0.00999175 -0.08251951 0.03821589 -0.09875521 -0.01270853 -0.00665903 -0.00064439 +C 5.07549421 6.57588324 6.10036545 -0.00228276 -0.00290722 -0.00678061 0.01296697 -0.01796113 -0.04556500 0.00545078 -0.00248858 -0.00418111 +H 4.93003850 5.79220171 8.07638294 -0.00658710 0.00644300 0.02278217 -0.04224463 0.02068930 0.03092733 -0.00132059 0.00046619 -0.01124796 +C 4.32466448 6.89122529 4.93448630 0.00631994 0.00502257 -0.00344134 0.03041368 0.01807011 -0.02886801 0.00193966 0.00100748 -0.00588242 +N 6.48381218 6.65555683 6.26447013 0.00033174 0.00116494 0.00301886 -0.02697781 -0.00178344 0.01533867 -0.00704025 -0.00138734 0.00096821 +C 2.89202386 6.58095925 4.83645783 0.00518376 0.00177267 0.00585506 0.05221826 0.00656257 0.04885033 0.00871393 -0.00116952 0.00941065 +H 5.00454229 7.14471158 4.14863551 0.00785994 0.01014229 -0.00966454 -0.14720316 0.16503322 -0.12569206 -0.04470550 0.02711057 -0.01142107 +C 7.45827705 7.36205395 5.71017367 -0.00339721 -0.00561092 -0.00275934 -0.02819103 -0.02056402 -0.04301074 -0.00336103 -0.00101431 -0.00760073 +H 6.82930162 5.93318727 6.89114489 -0.02302924 0.01447639 0.00614281 -0.07639207 0.09220620 0.15001891 0.00103298 0.01653267 0.02822020 +O 7.23703263 8.16761728 4.77821596 -0.00078524 0.00553402 -0.00220877 0.00418229 0.02625238 0.00108987 0.00168403 0.00188000 0.00211007 +C 8.85596013 7.04740643 6.23335151 -0.00156403 -0.00767622 0.00368414 -0.00850830 -0.03638201 0.00921771 -0.00502976 -0.00367382 0.00033030 +H 9.38671571 8.00327883 6.53245529 -0.00436100 0.00423077 0.01421493 -0.10825100 -0.11869630 0.08580362 -0.00962964 -0.00287978 0.02191897 +H 8.82356450 6.32740354 7.05061441 -0.00384033 -0.00807366 -0.00144062 0.00378509 -0.04606744 0.01165445 0.00478987 -0.00620894 -0.00205635 +H 9.44470654 6.54751129 5.39007447 0.00676860 0.01964766 -0.00314571 0.02291432 0.16395328 0.05088100 0.02127224 0.00835544 -0.01039205 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03267371 6.05063472 5.87057761 0.00471592 0.00393105 0.00294594 0.01592900 0.02395359 0.02074295 -0.00126098 0.00224259 0.00441690 +C 2.36971664 5.96711167 5.95231992 -0.00193835 -0.00326834 -0.00458286 -0.01457859 -0.03026272 -0.02086144 0.00050020 -0.00428066 -0.00332766 +H 0.84228310 6.43741674 4.99150215 -0.02132222 0.00426902 0.01428881 -0.20259380 0.01708096 0.11758621 -0.03284712 0.00894250 -0.00068997 +C 2.98097901 5.68461174 7.19889959 0.00227674 -0.00103253 -0.00742785 0.01413395 0.00302920 -0.05389507 0.00174382 0.00153307 -0.00577909 +H 2.59781923 6.55924698 3.86701718 0.01434354 0.01586116 -0.01757303 0.05510476 -0.01598118 -0.00237120 0.00020369 -0.01792122 0.01207468 +C 4.38450716 5.91655033 7.28741002 0.00272010 0.00009958 0.00188003 0.00052804 0.00332715 0.03689136 -0.00309553 0.00041253 0.00432149 +H 2.30441856 5.47628455 8.00291377 -0.01603570 -0.00216876 -0.00183699 0.06882922 0.00222145 -0.01938784 0.03040773 0.00128832 -0.00511727 +C 5.09765610 6.30134391 6.14591938 -0.00448777 -0.00546302 0.00400321 0.00589156 -0.00910763 -0.00646782 0.00415791 0.00266620 -0.00423924 +H 4.86068142 6.03066047 8.25733319 0.00511714 -0.00361644 0.03767361 -0.05682164 -0.17053989 0.01779376 -0.00913743 -0.03770751 -0.01165807 +C 4.43109428 6.47896738 4.89491352 -0.00165488 0.00216942 -0.00377413 -0.00717729 -0.00354689 -0.00801218 0.00174890 -0.00369539 0.00411266 +N 6.48960212 6.58531373 6.30004468 -0.00496378 0.00341524 -0.00051993 -0.03725141 0.01839630 0.02059629 -0.00440697 0.00319754 0.00485571 +C 3.04483246 6.27562639 4.79727725 0.00567262 -0.00177292 0.00174156 0.04934242 0.00872250 -0.00548181 0.00484035 0.00334011 -0.00260980 +H 4.88148055 6.78152239 3.89777638 -0.02638789 -0.02554889 0.00186661 0.03291401 -0.09214462 0.04909655 0.04354871 0.00829870 -0.01265127 +C 7.36303028 7.43895094 5.72551711 -0.00122386 0.01046380 0.00858189 -0.02454208 0.04709006 0.03368650 -0.00573856 0.00096700 0.00183387 +H 6.86965178 6.11786410 7.12294020 -0.00402186 -0.00563343 0.00298408 -0.01134129 -0.01074727 -0.04921287 0.00650309 -0.00683150 0.00039284 +O 7.03737915 8.15660996 4.76016840 0.00032657 -0.00539591 -0.00034494 0.00630552 -0.03483863 0.00660199 0.00102718 -0.00369809 0.00147435 +C 8.84079467 7.32707383 6.16758408 0.00106090 -0.00095752 -0.00199477 -0.00629708 -0.00119453 -0.03744745 -0.00223216 0.00140335 -0.00715358 +H 9.23415556 6.38247462 5.82491435 0.00344875 -0.02117774 -0.01500329 -0.01225843 -0.01034425 -0.00603006 -0.00844674 0.01643628 0.01024309 +H 9.35470529 8.11627935 5.65773455 -0.00233174 0.00815254 -0.02169672 0.00859263 -0.01581151 -0.07903545 0.00093817 -0.01808246 0.00281972 +H 8.94686675 7.47986824 7.23415828 0.00722947 0.00281378 -0.01601925 0.07615166 -0.00176060 -0.01480129 0.01084217 -0.00371043 -0.00338082 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.91940855 5.78075531 5.90197500 0.00093566 0.00326707 -0.00121710 0.01415895 0.01273627 0.00685154 -0.00013828 0.00146752 0.00055518 +C 2.32375285 5.89382376 6.00233457 -0.01077836 -0.00674648 -0.00649078 -0.06219510 -0.00519539 -0.07310735 -0.00091433 0.00466027 -0.00911450 +H 0.46896542 6.19464483 5.22118584 0.00560209 -0.00440051 0.00206790 0.06653183 0.01212270 -0.06903594 0.02653870 -0.01032352 0.00913590 +C 3.04549532 5.71665881 7.14812431 0.00429989 0.00349056 -0.00265292 -0.00220291 -0.00008244 0.00802787 -0.00468848 -0.00302081 -0.00023542 +H 2.49679888 6.70092206 3.95178038 -0.03396159 -0.01122418 -0.01824070 -0.09988975 -0.05416451 0.08266948 -0.00546166 0.00586554 0.00689294 +C 4.41122731 5.89959763 7.15689283 0.00313243 -0.00277303 0.00599377 0.03324894 -0.01923155 0.07040565 0.00251079 -0.00157315 0.01099457 +H 2.57842487 5.43539902 8.09478675 -0.00235355 -0.01377830 0.01873538 0.01333198 -0.09154156 -0.08308047 -0.00716335 -0.01590163 -0.01568078 +C 5.10931990 6.52545333 6.10300330 -0.00088188 -0.00475537 0.00716437 -0.00140782 -0.05402333 0.04595204 0.00080931 -0.00903103 0.00355160 +H 4.90039123 5.54009399 8.08147418 -0.00884280 0.00131590 0.04085719 -0.04589747 0.14277951 0.07641265 0.01358819 0.02486298 0.01028889 +C 4.38000295 6.77192811 4.93635485 -0.00139564 -0.00354864 -0.00113537 0.00129912 -0.00321084 -0.00998560 0.00013829 0.00116432 0.00056596 +N 6.48364526 6.62982296 6.29695097 0.00136457 0.00431275 0.00485119 -0.00379437 0.03367623 0.03414670 -0.00092172 0.00519115 0.00495206 +C 3.00656457 6.49407892 4.90379470 -0.00066879 0.00260982 -0.00131448 -0.03421728 -0.00058721 -0.03121963 -0.00703931 -0.00321305 -0.00512487 +H 4.85562311 7.23937500 4.09187658 -0.00556988 0.01759234 -0.01743799 -0.05874718 0.00465418 -0.01612177 -0.00231043 -0.01185362 0.00773075 +C 7.38220239 7.36521963 5.67483380 0.00088524 0.00822676 -0.00264289 0.03055824 0.03333878 -0.01295209 0.00604258 0.00001480 -0.00055193 +H 6.81350100 6.11666262 7.07226878 0.00706121 -0.01046626 0.00018931 0.06085630 -0.00509114 0.00252396 0.00346277 0.01642220 -0.00813592 +O 7.25949601 7.90784535 4.59341583 -0.00028119 0.00158974 -0.00142880 -0.01068963 0.02074411 -0.01762829 -0.00246541 0.00436665 -0.00348821 +C 8.75952270 7.36216236 6.32815908 0.00595910 -0.00538953 -0.00244687 0.03877384 -0.02627921 -0.02049260 0.00605671 -0.00122387 -0.00356459 +H 9.36936030 6.58418815 5.94671495 0.02465697 -0.01893840 -0.00119296 0.09905753 -0.03934066 0.00840516 -0.00861753 0.01724553 0.00831329 +H 9.19198163 8.30595806 6.17831377 0.00807636 0.01630717 0.00453650 0.07972872 0.01366608 0.01154745 0.00443387 -0.03181110 0.00467592 +H 8.69710908 7.26758903 7.41185434 -0.03059633 -0.00754277 -0.01292557 -0.16327363 -0.08553793 -0.03828036 -0.00507807 -0.01360212 -0.00402426 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.89293975 5.83962635 5.87336020 0.00077607 -0.00016176 0.00410416 0.03038834 -0.00472464 0.02109271 0.00650758 -0.00110043 0.00183005 +C 2.29220006 6.10724069 5.80209990 0.00359001 -0.00674038 -0.00402476 -0.03239684 -0.01394171 -0.01899611 -0.00805493 0.00310865 -0.00096317 +H 0.28164093 6.52078569 5.75489279 0.00656500 0.02841452 0.00936123 0.16847651 0.09829481 0.08917892 0.03399506 -0.00076181 0.01644403 +C 2.60029226 7.46696407 5.89666078 0.00829063 -0.00062497 -0.00068855 0.06508966 -0.01518591 -0.00257222 0.00685311 -0.00475517 -0.00054666 +H 2.99199190 3.99567844 5.62302703 0.00623582 0.00446696 -0.01581187 0.06830306 0.15694833 -0.09893595 -0.00765478 -0.04011837 -0.01606606 +C 3.96081916 7.80757468 6.04830336 0.00120920 0.00263220 -0.00318477 0.02126605 0.02542053 -0.01913566 0.00479072 0.00600905 -0.00167736 +H 1.87742879 8.27853068 5.95202623 0.00560777 -0.00928219 -0.00932353 0.00119257 -0.08399250 -0.03969989 -0.00130633 -0.00778184 -0.00024164 +C 5.02079139 6.86631378 5.96470412 -0.00394372 0.00557415 0.00454319 -0.03594758 0.00893998 0.01291117 -0.00532221 -0.00358618 -0.00145612 +H 4.24826761 8.82013003 6.21534162 0.00137736 -0.00200166 0.00151189 -0.04174804 0.06461745 -0.00494787 -0.01194858 0.00713580 -0.00600307 +C 4.66425570 5.50597125 5.67143837 -0.00518253 -0.00151676 -0.00698242 -0.02811348 0.01359212 -0.02205522 0.00042953 0.00319452 0.00132014 +N 6.31803077 7.39525380 6.05105359 -0.00557011 -0.00086647 -0.00286125 -0.03819469 -0.01607969 -0.01834371 -0.00400490 0.00045874 -0.00093700 +C 3.29288879 5.13425711 5.68892368 -0.00110245 0.00312637 0.00298212 -0.00509232 -0.00454103 0.01043462 0.00009284 0.00239864 -0.00018809 +H 5.36072827 4.75538019 5.55692790 0.00482785 -0.00116186 0.01338118 0.07212110 -0.00603605 0.04903516 -0.01550700 0.02641401 -0.00091887 +C 7.54840216 6.85985300 5.97586374 -0.00228554 0.00134764 0.00253534 -0.02087983 -0.03083712 0.03526574 -0.00389788 -0.00698482 0.00600199 +H 6.29860605 8.32712702 6.20691737 -0.00073070 -0.01198587 0.01571305 0.02986201 0.06517743 0.05228640 0.00456931 -0.03070300 -0.01434426 +O 7.81937793 5.63588031 6.16928777 0.00525750 -0.00004069 0.00021873 0.02621321 0.02266474 -0.00717345 0.00222796 0.00475303 -0.00182200 +C 8.65468207 7.85351088 5.75107465 -0.00622516 -0.00365942 0.00192977 -0.01793879 -0.00866837 -0.00571354 0.00037008 0.00083077 -0.00208291 +H 8.19756020 8.78189601 5.41119632 -0.00263565 0.00260977 0.00275514 0.00922830 0.00619321 0.00978470 0.00371054 0.00025282 0.00091834 +H 9.27154944 8.14469426 6.58879106 0.00298852 0.00260862 0.01222831 -0.06263770 -0.10367341 0.05444859 -0.02003592 -0.02806688 0.00007061 +H 9.26936335 7.50795625 4.93800196 0.02471814 -0.00006896 -0.02423192 0.03116808 0.04169748 0.04032570 -0.01235676 0.00671317 0.02817365 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00104299 5.73667384 6.03349317 0.00022088 0.00116027 -0.00394451 -0.00081270 0.00131212 -0.03361436 -0.00021769 -0.00119075 -0.00432557 +C 2.33498218 6.07473595 5.90260698 -0.00790378 0.00697704 0.00554750 -0.02196421 0.03636874 0.03015621 0.00235792 0.00186695 0.00214006 +H 0.48928420 5.87391753 5.26503693 -0.03000737 0.02562368 -0.00589524 -0.06035232 0.16023221 0.08598790 0.00185213 0.02780223 0.01407324 +C 2.68660235 7.39609904 6.29068738 -0.00248298 -0.00034403 0.00117339 -0.00791203 -0.00713333 0.01337323 -0.00132674 0.00060332 0.00398360 +H 3.14387551 4.10508283 5.36601971 -0.00594883 0.03124868 0.02358057 -0.02256386 0.04356167 0.03904711 -0.00370174 -0.02069337 -0.01228238 +C 4.00623237 7.84660033 6.17422749 -0.00068142 -0.00732267 -0.00053717 -0.00605279 -0.03940172 -0.00748964 -0.00197378 -0.00417996 -0.00136609 +H 2.02470320 8.04699979 6.80058821 0.02000438 -0.00990214 0.01371560 -0.05147032 0.01156632 0.03857441 -0.01611599 -0.00126239 -0.01531997 +C 4.99783848 6.97712439 5.69084921 -0.00044974 -0.00286936 -0.00202478 0.00179764 -0.01419244 -0.00648061 0.00192336 -0.00411456 -0.00077595 +H 4.29317392 8.86129755 6.45888922 -0.01034415 0.00613913 0.00010545 -0.10731585 -0.06106594 0.02084721 -0.00985060 -0.00842003 0.00853998 +C 4.69921798 5.68522508 5.34499842 0.00086249 -0.00633543 -0.00429002 0.00869629 -0.06584852 -0.03206304 -0.00015801 -0.00730195 -0.00300684 +N 6.26193843 7.48358467 5.72073537 0.00439597 -0.00761619 0.00086167 0.02907269 -0.03618188 0.00396724 0.00206749 0.00123194 0.00011327 +C 3.39578683 5.17721677 5.49460008 0.00459266 0.00038379 0.00239681 -0.02070359 0.03765413 0.03177099 -0.01006787 0.00910487 0.00616813 +H 5.49374183 4.98364452 5.01417588 0.01064471 0.00028001 -0.00674024 0.00488221 0.01089230 -0.02623689 0.00729155 -0.01861109 -0.00900264 +C 7.43272961 6.86559260 5.98078983 0.00025552 0.01325134 -0.00422032 0.01288600 0.01679285 -0.01829255 0.00545125 -0.00996230 -0.00020081 +H 6.27558886 8.46052993 5.70215627 -0.00844203 -0.01972971 0.01502399 0.02818416 0.01388365 0.07333475 0.01568135 -0.01114908 0.00419180 +O 7.54025920 5.64426197 6.18697601 0.00052134 -0.00165028 0.00073592 0.00168663 0.01488016 0.00002812 0.00013654 0.00609729 -0.00084486 +C 8.68404113 7.68459007 6.03387866 0.00157390 -0.00044963 0.00070215 0.03242461 0.03766739 0.00559088 0.00247200 0.00966674 0.00150764 +H 9.64717765 7.09581716 5.81659652 0.01813867 0.01878899 0.00433994 -0.03185446 0.11180794 0.07603187 0.01347993 -0.00914385 0.00712183 +H 8.69224918 8.49234620 5.25421111 -0.01488150 -0.00008434 -0.00621656 -0.11335792 -0.07194402 0.00415837 -0.01057946 0.00347014 -0.01217457 +H 8.81154447 8.22899835 6.98405470 -0.00158699 0.02203146 0.01596308 -0.05414808 0.00411456 -0.03118129 -0.00974794 -0.00554941 -0.00534058 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98642306 5.79130194 5.86004978 -0.00244159 -0.00484264 -0.00610674 -0.01566663 -0.03334945 -0.04141000 -0.00148482 -0.00671957 -0.00547733 +C 2.29389148 6.09891868 5.85323881 -0.00301314 -0.00231978 -0.00099760 0.01762629 -0.00310924 -0.01708184 0.00517422 0.00110834 -0.00312577 +H 0.93956009 4.85266115 5.89582492 -0.00488797 0.01924791 0.00888688 -0.12251954 -0.04968630 0.07190381 -0.02144796 0.00538359 0.00705776 +C 2.63650431 7.48608895 5.70571273 -0.00365182 0.00224736 0.00800700 -0.02335595 -0.00713768 0.05190897 -0.00352445 -0.00009691 0.00516347 +H 3.13047429 4.03840273 6.06847086 0.00944365 0.01608238 0.00918067 0.03055152 0.03289155 -0.01401419 -0.00034627 -0.00465847 -0.01098848 +C 3.96984819 7.89429056 5.68591064 -0.00271826 0.00835374 -0.00401013 -0.01420939 0.02901242 -0.01240738 -0.00158131 -0.00150718 0.00150733 +H 1.86000593 8.18019504 5.63487104 0.01827697 0.01010537 -0.01037047 0.01035510 0.11801599 -0.04703309 0.00509429 -0.00983021 0.00576148 +C 4.99334799 6.93849506 5.84988130 0.00035452 -0.00254915 0.00475134 -0.01132807 -0.01143373 0.01821219 -0.00352991 0.00206708 -0.00047929 +H 4.22240357 8.94619487 5.58771530 -0.00947949 0.00580495 0.00727923 -0.07834516 0.05187375 0.01628634 -0.00903657 0.00493264 -0.00461885 +C 4.72156308 5.51516585 5.93785794 0.00067962 0.00185545 -0.00010376 -0.02102381 0.03551955 -0.00032922 -0.00192377 0.00415188 0.00129620 +N 6.24568249 7.48579859 5.72715654 -0.00204654 -0.00752541 -0.00132607 0.01324614 -0.06097506 -0.02348788 0.00417953 -0.00847279 -0.00503666 +C 3.34862735 5.09209151 5.88240158 0.00462956 0.00165532 0.00301504 0.01800444 0.04518719 0.03894996 -0.00032635 0.00954353 0.00735187 +H 5.45064626 4.80622420 6.02964561 0.00231940 0.00837126 0.01028916 0.07287248 -0.00296467 0.05152975 -0.02234162 0.02366419 -0.00370087 +C 7.45600674 6.86680033 5.98678414 -0.00179202 0.00670524 -0.00813571 -0.00607101 0.03940347 -0.01807257 0.00231475 -0.00070490 0.00512471 +H 6.23107842 8.33685393 5.15748382 -0.00584356 -0.00280781 0.00835338 0.04552871 0.00602873 0.14058992 0.01524859 0.01336902 0.02191467 +O 7.58181819 5.82564944 6.61183391 0.00311672 -0.00061931 0.00274094 0.01045617 0.00138598 0.00621334 -0.00025076 0.00268481 -0.00187098 +C 8.77031584 7.64123281 5.76075831 0.00474754 -0.00937568 0.00382024 0.02425895 -0.04024688 -0.00880360 0.00200860 -0.00038628 -0.00399503 +H 9.48560598 6.97367932 6.29316798 -0.00844012 0.00362079 -0.01316423 0.13384932 0.05004386 -0.05723783 0.03945897 0.00376725 -0.00545908 +H 9.10086462 7.68239565 4.70423169 0.01169498 0.04104000 -0.02299683 -0.05020808 0.16864800 0.07253207 -0.01802821 0.00510612 0.01276113 +H 8.78336667 8.63334742 6.17777460 0.01374194 0.01148359 -0.00123096 0.04837181 -0.05921457 0.02636641 -0.00259093 -0.02886921 0.01085437 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98559697 5.65442148 5.95132808 -0.00229000 -0.00200789 -0.00562652 0.00281985 -0.00945040 -0.04285580 0.00286551 -0.00263584 -0.00706241 +C 2.30707408 6.07764551 5.86793091 -0.00040426 0.00530381 0.00025270 -0.01428847 0.05349115 0.03168538 -0.00120263 0.00577388 0.00527593 +H 0.82078578 4.79944986 5.67798704 0.01781463 0.00086170 -0.00433771 0.11490610 -0.05182585 -0.07232631 0.01741728 0.02047299 -0.00404817 +C 2.64441139 7.18889053 6.72198679 0.00523975 0.00256778 0.00279309 0.00592191 -0.00263282 -0.00485001 -0.00199291 -0.00218898 -0.00368068 +H 3.04865289 4.52980184 4.63613488 -0.00103248 -0.01518947 -0.00035633 0.07093317 0.03653588 -0.00598344 0.01894761 0.01555720 -0.00273605 +C 3.91976359 7.67858483 6.70190464 -0.00366361 0.00233968 0.00079529 0.03627002 0.00103526 -0.00750700 0.01172973 0.00044708 -0.00000527 +H 1.92472354 7.72192851 7.36803829 0.00185704 -0.01014708 -0.00132320 -0.03265072 -0.09596310 -0.03120712 -0.01714246 -0.00523333 0.00262321 +C 5.00296695 7.02398072 5.99546284 0.00161386 -0.00063673 0.00133988 0.01623782 0.01541952 0.01546606 0.00303045 0.00332368 0.00139901 +H 4.19278616 8.51779472 7.29995485 -0.01071913 -0.02697301 -0.00521310 -0.06197999 0.02591892 0.09442724 -0.00609310 0.01109598 0.01093335 +C 4.72754658 5.88383443 5.21595890 0.00780407 0.00337306 0.00032505 -0.02281873 0.00446385 0.00323403 -0.00993330 -0.00088985 0.00163478 +N 6.32191551 7.54327797 6.11462509 0.00405208 -0.00005846 -0.00190537 0.01449260 -0.01271628 -0.01350263 -0.00292624 -0.00346712 -0.00134809 +C 3.31283753 5.44824617 5.13708992 0.00311879 -0.00046149 0.00693185 0.05573072 -0.01238066 0.04620574 0.00793219 -0.00117783 0.00731531 +H 5.42836463 5.29085815 4.66166638 0.01177411 -0.00488827 0.01438515 0.04586964 0.00965845 0.07073102 -0.01055567 0.00909237 0.00428896 +C 7.49653896 6.86086630 5.77980280 -0.00721179 0.00247775 0.00633818 -0.06673779 0.01381977 0.03833472 -0.00708058 -0.00300217 0.00269715 +H 6.41241151 8.47892059 6.51612625 -0.00293943 0.00559020 0.01664788 0.01483059 -0.08346380 0.04463272 0.01044911 -0.00659426 0.00485817 +O 7.53731904 5.70786021 5.36872943 0.00195398 -0.00047918 -0.00291475 0.01831192 0.00635700 -0.01634418 0.00248633 0.00339191 -0.00113850 +C 8.76415411 7.61877046 6.04748797 -0.01059684 -0.00826124 -0.00274472 -0.05452608 -0.04153533 -0.00289003 -0.00662642 -0.00168724 0.00042832 +H 8.57194645 8.31540736 6.87516488 -0.01683471 -0.00430172 -0.01167913 -0.08550247 -0.00254841 -0.06893659 -0.00186771 0.00739939 0.00036012 +H 9.42749132 6.85410401 6.56578451 0.01818145 0.00822244 -0.01808738 0.13632307 0.13293367 -0.24720407 0.03066472 0.00568809 -0.03292806 +H 9.21949310 8.23241598 5.25552643 -0.02022106 0.00724619 -0.01901664 -0.21272395 -0.12294123 -0.08293590 -0.03673002 -0.02843252 -0.01395809 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98957636 5.74777994 5.76613575 0.00306682 -0.00143032 0.00360719 0.01195649 -0.00699610 0.02755292 -0.00177195 -0.00293400 0.00306963 +C 2.31109370 6.10435741 5.89086436 -0.00926217 -0.00557302 -0.00175714 -0.02776306 -0.03921040 0.00403904 0.00434111 -0.00220358 0.00387307 +H 0.91130194 4.98002820 5.27817053 -0.02061253 0.00001790 0.01851461 -0.14078875 -0.05856097 0.09950451 -0.00855649 0.01487541 0.02752405 +C 2.68381454 7.32699594 6.47239421 0.00032025 0.00514020 0.00277604 -0.02188253 0.03863896 0.01060978 -0.00474589 0.00126056 -0.00260784 +H 3.15739913 4.23061772 5.04135498 0.00185319 0.01464519 -0.01004673 -0.06827297 -0.05648737 -0.01079635 -0.01361291 -0.01428435 0.01292577 +C 3.99876742 7.85415766 6.46693150 -0.00404466 0.00701652 0.00123897 -0.02272553 0.01752195 -0.00397117 -0.00336484 -0.00648673 -0.00375706 +H 1.85661373 7.95954816 6.90966622 0.00599782 0.01124261 -0.01179846 0.04986845 0.08435744 -0.11889100 -0.01958824 0.03058262 -0.00619253 +C 5.01658497 6.97146947 5.98596933 -0.00081071 -0.00052853 -0.00052852 -0.01047402 0.02859427 0.00371475 -0.00182488 0.00687285 0.00101665 +H 4.20222958 8.93913758 6.81992443 -0.01736444 0.01042218 -0.00060930 -0.09670849 -0.08877396 -0.03084795 0.00301964 0.02180231 0.00905352 +C 4.62848564 5.63085445 5.60341287 0.00297463 0.00339621 -0.00475170 0.03955685 0.01401722 -0.02774295 0.00445603 0.00081129 -0.00231808 +N 6.32887572 7.54601233 5.96214656 0.00071036 0.00117518 0.00143690 -0.00655401 -0.02747738 0.01776195 -0.00196958 -0.00407764 0.00465333 +C 3.31461736 5.17251722 5.54465277 -0.00051867 -0.00767642 -0.00735595 -0.00391645 -0.00507082 -0.05681410 0.00001590 0.00543178 -0.00877618 +H 5.38645612 4.91294684 5.30856612 0.00029691 -0.02927076 0.02449294 -0.02834660 -0.06073895 0.11305503 0.00639058 0.00896436 0.00139093 +C 7.46791650 6.86084286 5.85566353 0.00557142 -0.00103417 -0.00164132 0.02259727 0.01862242 -0.02907584 0.00037398 0.00623031 -0.00566170 +H 6.49233126 8.47971198 6.16618704 -0.00209767 -0.01423375 0.00434235 -0.08589187 0.04674950 0.07512171 -0.02223518 -0.02220449 0.00435989 +O 7.54777961 5.73473418 5.40641314 0.00033398 0.00488246 0.00331957 0.00831115 0.01503726 0.02305845 0.00217597 -0.00107238 0.00289355 +C 8.71410778 7.65934051 6.08635168 0.00540596 -0.00332895 -0.00148544 0.03892191 -0.01310446 0.00980694 0.00749066 -0.00131490 0.00320256 +H 8.70034152 8.20441263 6.99729326 0.00373119 -0.00871090 0.00695040 -0.01787166 -0.08456639 0.09526068 -0.00344038 -0.01642821 -0.00069135 +H 9.54679937 7.02202767 6.15832359 -0.02299562 -0.00445612 0.00091023 0.04684487 -0.15522984 -0.01333046 0.00581819 -0.00879145 -0.00723245 +H 8.96098570 8.45021344 5.41850946 -0.00832105 -0.01993902 -0.00174279 -0.06001708 -0.08760666 -0.19353846 -0.00717554 -0.02058966 -0.02137202 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95532500 5.75381219 5.98186483 0.00691918 0.00481270 -0.00519303 0.05175628 0.03283817 -0.03275837 0.00466133 0.00412773 -0.00554556 +C 2.32404780 5.99003877 5.99061469 -0.00082324 -0.00212745 -0.00010061 -0.00033789 -0.02076830 0.00122755 0.00209384 -0.00333270 0.00009448 +H 0.66345231 5.88526400 5.12470683 -0.01908931 -0.00533519 0.00904889 -0.15337900 0.00262333 0.02237051 -0.00089117 0.00386496 0.02669000 +C 3.18405642 4.99807594 6.55152946 0.00039825 0.00187183 -0.00040192 -0.02071576 0.01093399 -0.01140765 -0.00648536 -0.00034320 -0.00113984 +H 2.26524920 7.89584037 4.94911817 -0.00741225 -0.00769378 -0.01851348 -0.01753689 -0.11019691 -0.07527278 0.00856263 -0.03141866 0.00865156 +C 4.57564127 5.14932873 6.48142504 -0.00126882 -0.00892388 0.00394941 -0.00108343 -0.03817023 0.04273273 0.00065800 -0.00139754 0.00735517 +H 2.77067079 4.10535911 6.95476055 -0.03464782 0.01887111 0.00761194 -0.16583688 0.10737461 0.06916164 -0.00004482 0.01600533 0.00468599 +C 5.11052424 6.36518846 6.01356052 0.00672437 -0.00175111 0.00073707 0.03376638 -0.02952014 -0.00778610 0.00052241 -0.00552883 -0.00355560 +H 5.22629731 4.43709342 6.95981201 -0.01230793 -0.01825591 0.01281284 -0.10295553 -0.12529301 0.04632408 -0.01329710 -0.01083395 0.00057391 +C 4.25083005 7.24187695 5.32759913 0.00258135 0.00314938 -0.00184110 0.03039724 0.03925895 -0.00295082 0.00564139 0.00488880 0.00267088 +N 6.48420783 6.54431226 6.21350279 -0.00180117 0.00471315 0.00105884 -0.00829691 0.05060021 -0.01604895 -0.00037136 0.00720258 -0.00356145 +C 2.87405638 7.14508789 5.36270382 0.00038024 -0.00636489 0.00930162 -0.00881135 -0.05366735 0.05518714 -0.00089880 -0.00524456 0.00342087 +H 4.54725019 8.16013447 4.84137789 0.00699646 0.00057053 -0.00512607 0.16148438 -0.00988455 -0.00967275 0.02765341 -0.00195786 0.00161320 +C 7.38220582 7.44843956 5.69549466 -0.00499518 0.00238794 -0.00471454 -0.02827768 0.01202242 -0.00268120 -0.00166663 0.00224874 0.00330565 +H 6.93135405 5.91960507 6.84610435 -0.00404587 0.02044047 0.00815452 -0.04650128 0.07920426 0.07202363 -0.01338518 0.01382574 -0.00136542 +O 7.21079429 8.41772158 4.92680127 -0.00086507 0.00406770 -0.00109059 -0.01312855 0.01177620 -0.00344206 -0.00283498 -0.00067861 0.00006576 +C 8.71942953 7.25246350 6.41785023 -0.00229032 -0.00823430 -0.00122974 -0.02382532 -0.03137397 -0.01079995 -0.00147115 -0.00098463 -0.00444144 +H 9.49774191 7.01378712 5.77687906 0.00633258 0.03876718 0.00155113 0.08819526 0.13411624 -0.07560567 -0.01892365 -0.00061045 0.00601325 +H 8.96704637 8.20177626 6.88706390 0.00959968 -0.00627956 0.00454391 0.02180963 -0.08175073 0.04564414 -0.00800499 -0.01428812 0.01209706 +H 8.64963118 6.51518712 7.22120934 -0.02490845 -0.00930429 -0.00298520 -0.05802952 -0.08141380 -0.05429025 0.01364309 -0.01390760 -0.01436694 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97203972 5.85067950 5.91099993 0.00734901 -0.00698823 0.00215288 0.04493473 -0.05291540 0.01353291 0.00491048 -0.00868056 0.00307283 +C 2.35318309 5.87052546 5.93582803 -0.00143660 0.01071101 -0.00325037 -0.02456902 0.09145915 0.00726694 -0.00247188 0.01346728 0.00696229 +H 0.49722472 6.25454750 5.15507523 -0.00324949 -0.01125535 0.00397504 0.06043215 -0.08889548 0.02768418 0.00254891 -0.00090276 -0.02146838 +C 2.96949188 5.63708879 7.17126861 -0.00078635 -0.00086290 0.00836035 0.01339842 -0.00458827 0.01716873 0.00074157 0.00027030 -0.00246734 +H 2.45646573 6.98017231 4.11773833 0.00336331 0.00882459 -0.01231362 0.05294959 -0.05460446 -0.13086418 0.01230816 -0.02620355 -0.01480213 +C 4.38136423 5.78197850 7.16249616 -0.00283245 0.00136500 -0.00391717 -0.01609184 0.00570741 0.00368386 -0.00056620 -0.00079154 0.00627223 +H 2.49894390 5.27110865 8.01905663 -0.00393580 0.02055902 0.02651540 -0.05719926 0.08916885 0.09719699 0.00791919 0.01037550 -0.02935025 +C 5.11897194 6.43786024 6.12644496 -0.00519770 -0.00157215 0.00026081 -0.02892368 -0.01515423 0.00309808 -0.00348969 -0.00256071 0.00012643 +H 4.86072486 5.43953462 8.02583121 -0.00953618 -0.01916478 0.01685793 -0.03123124 -0.02173991 0.02622354 -0.00237363 0.01827626 -0.01929382 +C 4.41990223 6.83318943 4.95188459 0.00016307 0.00349567 0.00168900 -0.01877208 0.00515864 0.01902360 -0.00536226 -0.00135168 0.00461749 +N 6.49201566 6.66081587 6.38469802 -0.00555389 -0.00439934 -0.00256559 -0.04422386 -0.01385265 -0.04042490 -0.00405109 0.00010809 -0.00685105 +C 3.03812716 6.54544067 4.89556534 -0.00295857 -0.00306774 -0.00483025 -0.01579122 -0.00679452 -0.03916085 -0.00140847 0.00187935 -0.00714081 +H 4.84120374 7.23323816 4.00535258 -0.00218097 0.02032124 0.02401201 0.07221590 0.21839338 0.21678907 0.01792836 0.03601259 0.02285381 +C 7.38300519 7.36700803 5.66224206 0.00264527 -0.00347522 -0.00690512 0.02651388 -0.04341555 -0.03247896 0.00320698 -0.00835932 -0.00173236 +H 6.78978992 6.37953097 7.29540929 -0.00304841 0.00988858 -0.02247227 0.04096925 -0.02741119 -0.02605830 -0.00072508 -0.01047116 -0.01096932 +O 7.15296271 7.89259580 4.56020885 0.00369465 0.00404619 -0.00137288 0.03043908 0.02550872 -0.00153849 0.00521213 0.00299726 0.00092653 +C 8.81648296 7.39425983 6.28967127 0.00265813 0.00047937 0.00741546 -0.00109663 0.01753289 0.02898424 -0.00311315 0.00240892 -0.00137559 +H 9.15877828 6.43520376 6.71984638 0.01565285 -0.00844622 0.01738695 0.03291533 0.08741695 0.05114110 -0.00391698 0.01636606 0.00198207 +H 9.49289064 7.76910216 5.52882413 -0.00013016 0.00074715 -0.01708398 -0.00896626 -0.08743176 -0.00783294 0.00057709 -0.01889413 0.01484081 +H 8.77152312 8.24913641 7.03996252 -0.00275563 0.00207446 0.00042150 0.03458088 -0.08206022 0.02669302 0.00986658 0.00501225 0.02522575 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04283759 5.59088058 5.88926063 -0.00479196 -0.00178374 -0.00089317 -0.02706784 -0.00229943 -0.02837287 -0.00268300 0.00050616 -0.00581214 +C 2.38392427 5.93965266 5.85781448 -0.00293065 -0.00128418 -0.00390051 -0.04339393 -0.01057139 0.00196764 -0.00716534 -0.00092985 0.00362264 +H 0.54808972 5.93031996 5.17503666 -0.00292573 -0.00124699 -0.02977661 0.04832176 -0.06705090 -0.07528974 0.00486176 -0.01102665 -0.00964863 +C 3.07316338 5.49314355 7.00345064 0.00423630 0.00649864 -0.00315425 0.03137327 0.04797660 -0.00771084 0.00278598 0.00616050 0.00090673 +H 2.41761862 7.08120578 4.02324242 -0.01026402 0.01945984 -0.02172835 0.05216301 0.14904701 0.05820208 0.01184548 0.01925858 0.01882988 +C 4.41438741 5.89233865 7.23091158 -0.00116575 -0.00205421 0.00406983 0.00697622 -0.01587033 0.02880760 0.00237925 -0.00018911 0.00122258 +H 2.56323908 4.93142380 7.79046281 0.01823304 0.01590608 0.00850814 0.07860154 0.06750089 0.00377890 -0.00281868 -0.00145026 -0.00040832 +C 5.07933673 6.59644827 6.22507875 -0.00291122 0.00418846 0.00453543 -0.03274671 0.03613108 0.03956986 -0.00430581 0.00538293 0.00710128 +H 4.98483630 5.60212434 8.12093510 0.02632340 0.00980208 0.02678824 -0.05421300 0.05726131 0.01195194 -0.02422612 -0.00439241 0.00197780 +C 4.31824852 7.06692109 5.11651224 -0.00067733 -0.00109439 0.00683723 0.00786671 0.00673569 0.01557132 -0.00037566 0.00175487 -0.00225072 +N 6.39032495 6.92622508 6.48961527 -0.00322148 -0.00801781 0.00081001 0.01448236 -0.04865082 -0.00440893 0.00868091 -0.00478926 -0.00256149 +C 2.95903977 6.83988165 4.93849591 0.00110467 -0.00263561 -0.00407968 -0.00742654 -0.04872287 -0.03212446 -0.00124249 -0.01054945 -0.00243598 +H 4.81722911 7.61598289 4.31254865 -0.02834550 -0.01079574 -0.02160576 -0.11587311 -0.04001496 -0.03754531 0.01121520 0.00984378 0.00331549 +C 7.37927453 7.27315662 5.63453178 0.01124241 0.01108591 0.00821074 0.03985025 0.06780367 0.02968917 -0.00276454 0.00646158 -0.00067041 +H 6.65999832 6.76035734 7.44727209 0.03443078 -0.02530412 -0.00829009 0.17004846 -0.17207864 -0.10392618 0.00640611 -0.02608196 -0.01358648 +O 7.25415365 7.53540555 4.42465232 -0.00513713 -0.00199092 -0.00111244 -0.03213243 -0.01507511 0.01339824 -0.00351314 -0.00179716 0.00536908 +C 8.76471335 7.29523798 6.25241806 0.00414854 0.00149194 -0.00486861 0.04594436 0.00216706 -0.02683752 0.00670384 0.00261801 -0.00082498 +H 8.99722188 6.26662249 6.66366250 0.00079757 -0.01082275 -0.00981658 0.01690708 0.04486711 -0.14321837 0.01158169 -0.01188193 -0.01914826 +H 9.59090282 7.63993730 5.59317272 0.00928914 0.00057620 -0.01929701 -0.06266513 -0.04567121 -0.09404206 -0.00796723 -0.00273373 -0.01628473 +H 8.76557554 7.97966139 7.05985042 -0.00064265 -0.01924196 0.00463825 0.02785140 -0.06261879 0.09596408 0.01429941 -0.01210454 -0.00191160 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03860543 5.74176693 5.70028174 0.00254878 0.00003005 0.00015108 0.01228177 -0.00121627 0.00442445 0.00241064 -0.00101146 0.00241455 +C 2.33254690 6.02842842 5.91234996 0.00622842 -0.00127331 0.00518524 0.03692038 0.00726048 0.02601298 0.00329781 0.00350965 0.00110041 +H 0.64007866 6.27202049 4.98190059 0.00371806 0.00404966 0.00582269 0.02848011 0.02072130 0.04280374 -0.00559572 0.01477250 -0.01110535 +C 3.03717005 5.41010025 6.96079092 0.00540309 0.00202668 0.00180999 0.02920324 -0.00419267 0.01882232 0.00066110 -0.00448152 0.00403698 +H 2.49807979 7.53279015 4.22703041 0.01932166 0.01451283 -0.02710093 0.10682702 -0.04782890 0.07790339 -0.01432576 -0.00075933 0.00386186 +C 4.42405007 5.55558198 7.17298301 -0.00420069 -0.00511314 0.00275456 -0.01312499 -0.01354305 0.00755195 0.00132770 0.00199032 -0.00127624 +H 2.52647672 4.76268518 7.62998992 0.01845100 -0.00347218 -0.00825628 0.02267257 -0.07988255 -0.00718109 -0.00361599 -0.00620645 -0.00379775 +C 5.16184023 6.37405953 6.29798869 -0.00447043 0.00493027 0.00041949 -0.05096479 0.05605552 -0.01760356 -0.00879252 0.00877398 -0.00371048 +H 4.92096148 5.09745844 8.02295994 -0.02804092 -0.01487541 0.00206245 -0.14141313 -0.13085945 0.01072359 -0.00333771 -0.01594374 -0.00308258 +C 4.39481023 7.08174553 5.26515123 0.00106312 0.00279293 -0.00722267 0.00375066 0.02165943 -0.03262034 -0.00081847 0.00402930 -0.00199222 +N 6.52091043 6.71295412 6.50973927 -0.00656116 -0.00348973 -0.00544463 -0.04409542 -0.02688429 -0.03937274 -0.00589787 -0.00401732 -0.00355562 +C 2.96283750 6.98171569 5.10556296 0.00102719 -0.00206457 -0.00088922 0.05141477 -0.01946966 -0.02301846 0.01379069 -0.00618763 -0.00134176 +H 4.92821655 7.74805894 4.61358392 0.00305907 0.03246802 -0.00715010 -0.13413893 0.12881037 0.00751299 -0.02428091 0.00351461 0.00502403 +C 7.37155595 7.25923341 5.61804003 -0.00551611 -0.00357415 0.00518278 -0.03189801 -0.00456111 0.03131158 -0.00217487 0.00294748 0.00144322 +H 7.00413016 6.55452974 7.37751784 0.00234386 0.01562206 -0.01964215 -0.10242187 0.01455708 0.01538970 -0.03471920 -0.01096275 0.01234056 +O 7.11146910 7.44844817 4.44271755 -0.00363633 -0.00070409 0.00281152 -0.01830421 -0.00669694 0.01596642 -0.00176578 -0.00117163 0.00224553 +C 8.70844195 7.74342718 6.16759627 0.00196065 0.00733186 -0.00113437 0.02087328 0.00814588 -0.01021071 0.00409621 -0.00200643 -0.00050225 +H 9.23453504 8.23057777 5.36995366 0.03002674 -0.01899378 -0.01315467 0.18095384 -0.10648043 0.01292378 0.00690048 -0.01284360 0.02208801 +H 8.67007301 8.32054754 7.06069632 0.03241268 -0.02292068 0.01013501 0.13699273 -0.01087303 0.06846613 0.00236460 0.00734892 -0.01500103 +H 9.18817592 6.79077330 6.46141375 0.00932516 -0.00745170 0.01316429 0.06017474 0.09908689 -0.00799948 0.01263889 0.00937533 -0.00816560 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04928241 5.67015043 5.69801958 0.00384523 -0.00989252 -0.00544879 0.02166020 -0.05317434 -0.03020969 0.00157289 -0.00580213 -0.00350567 +C 2.34192512 6.13919074 5.81641186 -0.00333957 0.00637881 -0.00288408 -0.04895565 -0.00091573 -0.03186119 -0.00666477 -0.00477797 -0.00512506 +H 0.42184247 6.15036662 6.17873082 -0.00505045 0.01684177 -0.00645420 0.04130288 0.02919054 -0.13126044 0.00554463 -0.00252303 -0.02562236 +C 2.62290332 7.35844587 6.34518970 -0.00581334 -0.00092080 0.00443512 -0.01366826 0.03403736 0.03497082 0.00125837 0.00879557 0.00462998 +H 3.16810105 4.24055028 5.14355726 -0.00287290 -0.01054329 0.03152684 -0.06702391 -0.01861589 0.13373113 -0.00971512 0.00257016 0.00360011 +C 3.92908747 7.84854451 6.49480508 0.00544616 -0.00306904 0.00548990 0.03638095 -0.04237214 0.03556933 0.00274589 -0.00855753 0.00398089 +H 1.83381828 8.05988265 6.60573039 0.03469566 -0.00334744 -0.00338612 -0.01147918 0.07193717 0.06114975 -0.02733476 0.01489355 0.01719676 +C 5.00153759 6.96808294 6.15359929 0.00300127 0.00609748 -0.00259922 0.02754812 0.02311052 -0.01830302 0.00398622 -0.00042734 -0.00270354 +H 4.12611087 8.85534817 6.94299220 -0.00281444 -0.01713870 -0.00339839 -0.00140789 -0.05087713 -0.02957024 0.00895311 0.01816195 0.00554566 +C 4.68145260 5.64550171 5.70418918 -0.00859526 0.00623295 -0.00211809 -0.04437647 0.05262828 -0.02520928 -0.00282423 0.00927813 -0.00396642 +N 6.34901580 7.38484901 6.30127418 0.00600208 -0.00037884 0.00100019 0.02105194 -0.00079046 0.00675357 -0.00168315 0.00223049 0.00206836 +C 3.33829756 5.26258634 5.46362359 -0.00323807 -0.00046848 0.00008216 0.00028569 -0.00577168 0.01675164 0.00026183 -0.00018559 0.00480572 +H 5.44783889 4.92254454 5.41433209 0.01419806 0.01194067 0.01174583 -0.05199471 0.06438127 0.12936857 -0.01397142 -0.00800351 0.01591066 +C 7.49253724 6.82787685 5.76371208 -0.00546912 0.00751349 0.00776160 -0.03972822 0.04938965 0.06020495 -0.00152366 0.00001342 0.00487394 +H 6.45364519 8.19417291 6.90253413 0.00780110 0.00405909 -0.01461749 0.09261789 0.06997510 -0.12744314 0.01251158 0.01480362 -0.01798046 +O 7.50208320 5.77787426 5.19112471 -0.00313372 -0.00246828 0.00229148 -0.00858499 -0.01257980 0.01239873 0.00002915 0.00135849 0.00287147 +C 8.73772984 7.67372956 6.02839759 0.00468847 -0.00358343 -0.00792274 0.02959148 -0.02433789 -0.05131373 0.00497914 -0.00331327 -0.00431916 +H 9.62962228 7.36360928 5.52957227 0.00733311 0.00682813 0.00641089 0.06285491 -0.05518592 -0.07886586 -0.01011351 -0.01478560 -0.02348514 +H 8.56547457 8.72684222 5.72540609 -0.00986261 -0.02590110 0.01458039 -0.07322986 -0.03654460 0.00118172 -0.00447807 0.01880058 -0.01592933 +H 8.95264152 7.74240727 7.06818365 0.02058528 0.00207753 -0.02694001 0.13889823 -0.04161301 -0.01740321 0.01012579 -0.01421809 -0.00384426 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99323827 5.77047995 5.73524896 -0.00064384 -0.00064897 -0.00327630 -0.00598607 -0.01048423 -0.00787438 -0.00087199 -0.00271515 0.00165907 +C 2.30773713 6.12481116 5.76902387 -0.00137752 -0.00103616 0.00748957 0.00746832 -0.00154941 0.05986728 0.00225268 0.00076293 0.00724834 +H 0.76342682 5.17530513 6.38764199 -0.01864677 -0.01450747 -0.00671618 -0.09580798 -0.03797438 -0.06013544 -0.00371738 0.01034312 -0.01640205 +C 2.85481214 6.50500531 4.56988396 -0.00302141 0.00115059 0.00616825 0.00724107 0.01331325 0.02383176 0.00245782 0.00225896 -0.00093383 +H 2.68227442 5.87629981 7.88437424 0.03096926 -0.02562223 0.00328975 0.23230515 -0.14686328 0.03779958 0.01863724 -0.02097807 0.02057409 +C 4.23998427 6.83986740 4.49463675 0.00362189 0.00168952 -0.00351902 -0.00177181 0.00889162 -0.03300533 -0.00472910 -0.00017474 -0.00519914 +H 2.24719153 6.51369591 3.73741129 -0.00944453 -0.01494644 0.00144221 -0.04304122 -0.04272869 -0.02653701 0.01873852 0.00363966 0.02062046 +C 5.07105133 6.73292557 5.62098997 -0.00175768 0.00290320 -0.00406125 -0.01493080 0.03071978 -0.03990918 -0.00099255 0.00676788 -0.00750879 +H 4.65628347 7.24873845 3.56771097 0.00676374 -0.01948538 -0.01456997 -0.00303459 -0.19927945 -0.07626843 -0.00349914 -0.02763338 -0.01457844 +C 4.50018513 6.39921167 6.86587006 -0.00004750 0.00870613 -0.00857894 0.02719524 0.06049009 -0.04077152 0.00447479 0.00683715 -0.00260999 +N 6.37433709 7.11121466 5.41122966 -0.00600111 0.00218963 -0.00055019 0.00127630 0.01863675 -0.01370148 0.00635068 0.00240664 -0.00343695 +C 3.16158694 6.14776375 6.92533293 0.00973227 -0.00282016 0.00378255 0.00565851 -0.04309450 0.02489265 -0.00367983 -0.00820284 0.00263073 +H 5.06404224 6.40620423 7.77612219 0.01387669 -0.02084041 0.00861212 0.03370478 -0.11263033 -0.08156164 0.00154653 -0.00505709 -0.02476177 +C 7.45240209 6.95786768 6.21523308 0.00325197 0.00019106 -0.00330922 -0.01926269 -0.01579706 0.01209218 -0.00820633 -0.00333489 0.00587054 +H 6.57324033 7.49415060 4.53535767 0.02940006 -0.02351373 -0.03354934 0.09049813 -0.15032475 -0.04372116 -0.00583253 -0.01646457 0.02032174 +O 7.40927617 6.25496855 7.24355857 -0.00795822 -0.00019691 0.00327194 -0.04683676 0.00833125 0.00968792 -0.00534508 0.00222627 -0.00009754 +C 8.69669813 7.72252677 5.90116637 0.00140233 -0.00081949 0.00678128 0.01461373 -0.00870457 0.03692019 0.00289694 -0.00193275 0.00442493 +H 9.00186482 7.31774474 4.90174368 -0.00610302 0.00038651 0.00631487 0.03874923 0.11830527 0.06047257 0.01768123 0.01984631 -0.01069644 +H 8.47657686 8.79753343 5.98243210 0.02685916 -0.00017886 0.00337036 0.16220024 0.00526467 -0.06597107 0.01586656 0.00469946 -0.01098895 +H 9.44552696 7.57177992 6.69490862 0.00559088 -0.01702908 -0.01711755 0.09276472 -0.18606706 -0.10578289 0.01684883 -0.02960713 -0.00785703 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00821450 5.71124167 5.95177838 -0.00625611 -0.00399298 -0.00040302 -0.02327595 -0.01803378 0.00091649 -0.00078810 -0.00236417 -0.00014836 +C 2.33779941 6.08678129 5.90317683 0.00375872 -0.00256255 -0.00236205 -0.02005041 -0.01174506 -0.00429199 -0.00867646 0.00203788 0.00277393 +H 0.81963760 4.91285013 5.45698207 -0.01076288 0.02209360 0.00330959 -0.09902885 0.01710495 -0.06087378 -0.00954628 0.00160903 -0.00788463 +C 2.68241433 7.28184506 6.50488462 -0.00556210 0.00971892 0.01072439 -0.02352278 0.04758756 0.06321938 -0.00371485 0.00186448 0.00630872 +H 3.03357602 4.28218292 4.84092583 -0.00001787 -0.00389989 0.03673487 0.00196007 -0.02046774 0.16694359 -0.00057187 -0.01567010 0.00111102 +C 3.99590195 7.78197546 6.51750934 -0.00226118 -0.00354115 -0.00535950 0.01059671 -0.03112190 -0.04280673 0.00257438 -0.00275311 -0.00524848 +H 1.94282195 7.79003724 7.05156483 0.00928622 -0.01096242 -0.00222195 -0.10592980 0.11059494 0.07091876 -0.00380284 0.02046728 0.00144111 +C 5.03898662 7.00784496 5.92459818 0.00330102 0.00278773 -0.01031529 -0.03283996 -0.00898141 -0.08076876 -0.00718110 -0.00184132 -0.01113477 +H 4.34775784 8.67198580 6.99012882 -0.00187572 -0.00350429 -0.01037257 -0.13180977 0.03421468 -0.02943349 -0.02605578 -0.00091219 -0.00650130 +C 4.60089396 5.74661713 5.30696260 0.01037389 0.00262006 0.00160647 0.08033248 0.00947062 -0.00574053 0.00558165 -0.00023230 -0.00215214 +N 6.28363995 7.51999689 5.87807656 0.00344874 -0.00004238 0.00413264 0.04312904 0.00946983 0.03826010 0.00600794 0.00236760 0.00628535 +C 3.28579494 5.27576894 5.28034574 -0.00129059 -0.00275591 -0.00072956 0.01764612 -0.00184093 0.01101795 0.00850592 0.00368450 0.00461691 +H 5.30263936 5.07266337 4.73137046 0.01371465 -0.00689230 -0.00090498 0.09757267 0.07638665 0.12876407 0.04073701 -0.00161389 0.01347044 +C 7.47980738 6.89313302 5.91440241 -0.00041318 -0.00424437 0.00491978 -0.00917140 -0.03853246 0.01618231 -0.00051249 -0.00227491 0.00029928 +H 6.26947371 8.51156644 6.01234973 0.00798849 -0.00580280 -0.00151380 0.13703933 0.03023607 0.00018685 0.02596844 0.00237009 0.00235615 +O 7.51790460 5.64063336 5.74807503 -0.00384857 0.00474551 -0.00465988 -0.01440711 0.04106462 -0.02567457 -0.00016453 0.00429311 -0.00298730 +C 8.77390354 7.72756848 6.02496875 0.00006902 0.00047776 0.00256706 0.00527178 -0.01531946 0.00469691 -0.00266559 -0.00474036 -0.00026085 +H 8.80490845 8.48556045 6.81717822 0.00860672 -0.01829639 -0.00217141 -0.02813659 -0.02279731 0.02647456 -0.01336238 0.00983647 0.00473049 +H 9.69509783 7.08916093 6.24591932 -0.01205438 0.00277665 -0.00279334 -0.13114838 -0.05930060 0.01691360 0.00641609 -0.03557952 0.01319964 +H 9.08722938 8.16453839 5.05761745 0.00253828 -0.01666248 -0.00966146 -0.07849645 -0.06156906 0.00006095 -0.01559901 0.00667969 -0.00232965 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99422554 5.82308377 5.81492673 0.00316905 -0.00311315 -0.00032536 0.01482363 -0.02315338 0.00249820 0.00252526 -0.00226526 -0.00018508 +C 2.29567889 6.16338656 5.83275878 0.00317842 0.00538761 0.00339119 0.01698783 0.04230750 -0.00921202 0.00128846 0.00464994 -0.00229750 +H 0.67655053 5.25367498 6.55033895 0.02885815 -0.01133078 0.00384535 0.22124731 -0.05529248 -0.00067613 0.02079051 -0.02265403 0.01697912 +C 2.82750884 6.85699057 4.69818337 0.00540116 0.00200423 0.00685001 0.00053740 0.00175216 0.05061201 -0.00395749 -0.00003031 0.00488618 +H 2.77675157 5.22312422 7.66200151 0.01416588 -0.00348936 -0.00916981 0.04949690 -0.06846322 0.01433697 0.01504232 0.00463334 -0.01388656 +C 4.17810064 7.15103352 4.56480704 -0.00302898 -0.00053216 0.00241766 0.00216673 0.00055513 0.02271626 0.00458433 0.00095606 0.00266115 +H 2.09658613 7.10430175 3.92308493 0.00040976 -0.02121773 0.01693991 0.03668449 -0.07101657 0.02239574 0.00354183 0.00393563 -0.01506969 +C 5.04889285 6.82249422 5.62387505 0.00620187 -0.00179086 -0.00127791 0.01597561 -0.01869004 -0.02092498 -0.00108371 -0.00193708 -0.00594646 +H 4.47698573 7.65843437 3.68967261 0.02642931 -0.01298756 -0.00251626 0.14429224 -0.08324062 -0.00117482 -0.00050955 -0.01521788 0.01358349 +C 4.52220044 6.10547039 6.75729260 0.00461466 0.00755565 -0.00781130 0.02986049 0.04867971 -0.04229730 0.00454677 0.00398761 -0.00147706 +N 6.36670246 7.20998139 5.49382633 -0.00378902 -0.00012726 -0.01023099 -0.00563532 0.01176592 -0.06516078 0.00262900 0.00227673 -0.00646535 +C 3.12092571 5.74137708 6.82736249 0.00254393 0.00343965 -0.00245112 0.07375793 0.03342381 0.00011958 0.01442258 0.00484461 0.00308526 +H 5.22270099 5.96551552 7.53270168 0.02736007 -0.01270187 -0.00162761 -0.03833160 -0.15527061 -0.03604786 -0.03522169 -0.02113354 -0.01531025 +C 7.44512442 6.94250847 6.20282341 -0.00517812 -0.00103877 0.00865110 -0.02741219 -0.01995312 0.03775660 -0.00418594 -0.00282747 -0.00069790 +H 6.62144979 7.82072869 4.72550862 -0.00919403 0.00705914 -0.00137713 -0.13286614 0.08253976 -0.03795807 -0.01999850 0.01588263 -0.00873819 +O 7.50348113 6.00131297 6.96760635 -0.00875928 -0.00116958 -0.00069659 -0.05821890 -0.01868304 0.01161017 -0.00774161 -0.00472003 0.00453420 +C 8.72297778 7.74399855 5.97855099 -0.00588476 -0.00664733 0.00348929 -0.05204365 -0.01929855 0.03104212 -0.00785508 0.00081751 0.00497888 +H 9.68647416 7.26361132 5.81382571 -0.01077885 0.02531472 -0.01806728 -0.06502382 -0.02912551 -0.11725739 -0.01610829 -0.02670692 -0.00869498 +H 8.56619328 8.46523908 5.16033785 -0.01466465 -0.01247983 0.01969474 -0.10900621 -0.02232199 0.05391101 -0.01711032 0.00716750 -0.00901845 +H 8.84887157 8.30622614 6.90629321 -0.01472261 0.01174767 -0.00732230 -0.05233496 0.08320363 -0.04785599 0.00337015 0.00867865 -0.00090523 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02366503 5.65342761 5.68540747 -0.00999200 0.00257225 0.00115914 -0.06569670 0.02464994 0.00916760 -0.00858769 0.00337041 0.00159771 +C 2.29312982 6.12959564 5.85347633 -0.00636671 -0.00755766 -0.00114001 -0.05375398 -0.02529423 -0.02345808 -0.00540048 0.00124772 -0.00468964 +H 0.96889640 4.69517568 5.79653531 0.01569147 0.02032631 -0.00393551 0.04646914 0.01334659 -0.02054555 -0.00837276 -0.00656942 -0.00343240 +C 2.56287287 7.48684290 5.57479252 0.00174618 -0.00111325 0.00170968 0.02342110 -0.01146329 0.01333508 0.00547619 -0.00323569 0.00269713 +H 3.06311742 4.19478441 6.25172267 -0.01927892 -0.00649667 0.01861217 -0.04603092 0.01609566 0.14794226 0.01240343 0.01431953 0.01911322 +C 3.92133518 7.90357859 5.64928575 0.00843706 -0.00319099 -0.00174626 0.03541831 -0.01503566 -0.01727033 0.00185793 -0.00153662 -0.00396983 +H 1.78185070 8.15695788 5.24081690 -0.00668643 0.03395731 0.00699946 0.09343038 0.05851065 0.11858982 0.02027155 -0.01097991 0.01770238 +C 4.95352443 7.00394512 6.04004343 0.00210622 -0.00237516 -0.00041585 0.06436607 0.01377170 -0.00510031 0.01167698 0.00347363 -0.00112959 +H 4.10562439 8.93958998 5.43967640 -0.00972128 0.00290976 -0.04750754 0.02032334 -0.08875758 -0.25374594 0.01621490 -0.02554039 -0.01556227 +C 4.62862958 5.68597033 6.37891741 0.00621436 -0.00078273 -0.00119606 0.02769093 -0.01675451 -0.02360179 0.00292173 -0.00387929 -0.00536847 +N 6.34975332 7.50869044 6.05655461 -0.00106425 0.00286353 0.00147862 -0.02838295 -0.01677771 -0.00199607 -0.00465900 -0.00534159 -0.00148926 +C 3.29339340 5.22873710 6.15821403 0.00079502 0.00028907 0.00013965 0.02183369 -0.01060921 0.01921201 0.00232477 -0.00278033 0.00492860 +H 5.41926602 5.03862751 6.68183895 0.00285090 -0.01383142 -0.01075370 -0.01469279 -0.11651334 -0.06465313 -0.01230688 -0.00692014 -0.00834875 +C 7.53451910 6.80312615 5.87575050 0.00216009 -0.00585891 -0.00293111 -0.02775439 0.02244778 0.00770662 -0.00763319 0.01061843 0.00436533 +H 6.42960430 8.50539798 6.01346241 -0.01641268 0.00800981 0.02361161 -0.05306834 -0.01458305 0.19168716 0.00155272 -0.02009628 0.02656613 +O 7.67077426 5.63212217 5.66814499 -0.00110320 0.00250687 0.00066081 -0.01196002 -0.00843417 -0.00091247 -0.00243046 -0.00368500 -0.00075516 +C 8.73209578 7.64945358 6.06401355 0.00134460 0.00457705 -0.00040853 0.03146170 0.05101583 0.00247427 0.00504579 0.00968932 0.00154645 +H 9.63448957 7.03867445 6.29107076 0.00663923 0.01694137 -0.01199446 0.01718761 0.07014561 -0.05910917 0.00878052 -0.00733106 0.00173851 +H 8.89905347 8.14436612 5.11284929 0.02424758 -0.00263175 -0.00434139 0.14635074 0.02901195 0.01068510 0.01064388 0.01640013 0.01156090 +H 8.67765833 8.41047291 6.78946665 -0.00229451 0.01120889 0.05123311 -0.04485406 -0.08775252 0.14403817 -0.00343164 -0.03608277 -0.02271271 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96399776 5.78198290 5.63566052 0.00144319 0.00003026 0.00444910 0.00628364 -0.00503961 0.02846777 0.00065601 -0.00067944 0.00393722 +C 2.24321918 6.15323516 5.93986942 -0.00069667 0.00133255 -0.00635778 0.00752157 0.00220890 -0.04320188 0.00207338 0.00077501 -0.00509465 +H 0.85308788 4.91426637 5.31078592 0.02843434 -0.01037487 -0.03767381 0.18632463 0.11243201 -0.16318476 0.01743166 0.02492966 -0.01825992 +C 2.60243446 7.47775432 6.29846471 -0.00097906 -0.00005294 -0.00014729 0.00461528 -0.01372650 -0.02896556 0.00257420 -0.00515439 -0.00804828 +H 3.02973431 4.14832089 5.39424786 -0.01963635 -0.00711212 -0.00486159 -0.12065897 0.07836315 0.05965850 -0.01569609 0.00624149 0.01587897 +C 3.98158690 7.80897678 6.28678871 0.00002031 0.00143308 0.00216613 -0.01445556 0.00190519 0.02056818 -0.00317962 -0.00025965 0.00408337 +H 1.86010173 8.31296288 6.29277744 0.00335396 -0.01407362 -0.01871967 -0.02970490 -0.09990114 -0.00546873 -0.02210754 0.00293902 0.01788697 +C 5.00097783 6.84395639 6.05705597 -0.00231515 -0.00049346 0.00275047 0.01512171 0.03758278 0.01006454 0.00421396 0.00646785 -0.00073464 +H 4.21504277 8.86776039 6.37802879 -0.00980917 -0.00746477 0.02075381 -0.01524824 -0.01754772 0.15767419 0.00390044 0.00249521 0.02011724 +C 4.62007498 5.50653377 5.79617538 -0.00215318 -0.00885581 -0.00151567 -0.00047366 -0.03691712 0.00286375 0.00025980 0.00278895 0.00331108 +N 6.32653772 7.50700218 6.00470131 0.00322907 -0.00038717 -0.00450252 -0.02187161 -0.01074119 -0.01793346 -0.00690953 -0.00579701 -0.00123372 +C 3.25853213 5.16875594 5.71392417 -0.00403429 0.00413603 0.00390393 -0.03080446 0.01623718 0.01855927 -0.00285110 0.00093332 0.00129395 +H 5.39412831 4.71684785 5.63697493 -0.00980846 -0.01265687 0.01502105 -0.07625591 -0.05309846 0.04591719 0.00700857 -0.01794737 -0.00606312 +C 7.51002571 6.90847500 5.81483343 -0.00134207 0.00895904 0.00054964 0.02016843 0.02337486 0.00395435 0.00441679 -0.00369110 0.00039451 +H 6.32675522 8.52168796 6.20404424 -0.00383796 0.03742820 0.00977557 0.01165762 -0.10670491 -0.02706879 0.00478209 -0.00612513 -0.00530841 +O 7.65741402 5.68947275 5.60879760 0.00434296 0.00260021 -0.00092332 0.02241476 0.03576674 -0.00495664 0.00208641 0.00727591 -0.00049139 +C 8.82160102 7.75359828 5.94374988 -0.00085806 -0.00410847 -0.00021112 -0.01822060 -0.04566788 -0.01199421 -0.00111684 -0.00625780 -0.00044967 +H 8.72306712 8.53041725 6.69007142 0.01340543 -0.03738578 -0.02624211 0.04606053 -0.03239636 0.06913273 -0.00459774 0.01118096 0.02104583 +H 9.65490295 7.12157884 6.12699553 0.01534141 0.00932512 0.01708324 0.05517481 0.03606609 0.11032206 -0.01831945 0.00415341 0.00404124 +H 9.01501196 8.27635169 4.99299201 -0.00689625 -0.02205826 0.01790465 -0.01199644 -0.07689054 -0.03550801 0.00393561 0.00039080 -0.02439785 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98790089 5.86011847 5.83706294 -0.00485531 0.00069939 0.00379967 -0.01669195 -0.00546999 0.01061924 0.00044783 -0.00231931 -0.00175297 +C 2.35012384 5.96681720 5.92450411 0.00279567 -0.00193814 -0.01007865 -0.00101784 0.01908672 -0.02450788 -0.00365441 0.00673545 0.00414807 +H 0.77939732 5.53640889 5.01024639 0.01267929 0.00758462 -0.01374258 -0.00860971 0.07495136 -0.03030489 -0.01421612 0.01741362 0.01664652 +C 2.86168188 6.39055139 7.18296655 0.00596349 -0.00128992 -0.00329744 0.00550725 -0.01942723 -0.01976925 0.00126256 -0.00396204 -0.00754601 +H 2.85413456 5.60863968 3.80910424 -0.03284931 -0.00825690 0.00531232 -0.14816619 0.03895173 0.08800856 -0.00593277 0.01009709 -0.00318932 +C 4.19241228 6.75073948 7.33879626 0.00629904 -0.00392487 -0.00376326 0.03203734 -0.01411671 -0.00620138 0.00082141 -0.00073843 0.00071128 +H 2.13013971 6.45266558 8.07801739 -0.02348349 0.01765708 0.00703097 0.08438106 0.08888336 -0.17844149 -0.00487075 0.01244980 0.00575654 +C 5.02563890 6.74301777 6.22330502 0.00141338 -0.00041865 0.00531974 0.03709653 0.01255984 0.01912129 0.00631734 0.00269674 -0.00078465 +H 4.53672645 7.11578216 8.32232875 -0.00221994 0.01476546 -0.00387813 -0.01219655 0.05727174 -0.07497879 0.00619794 0.00788780 0.00493393 +C 4.54174491 6.28285338 4.98668098 -0.00849075 0.00183582 0.00433106 -0.03254575 0.00807983 0.02063525 0.00059577 0.00103929 0.00309035 +N 6.31896884 7.34332508 6.36854133 -0.00150807 0.00498535 0.00471035 -0.01307674 0.00815287 0.02529165 0.00014928 -0.00084757 0.00388470 +C 3.17494642 5.98743460 4.78860371 0.00200559 -0.00071360 0.00065719 0.00553659 -0.03026743 -0.00099529 -0.00190529 -0.00690081 0.00082930 +H 5.23235740 6.10785781 4.16692658 0.02667463 -0.00937484 0.02031308 -0.04194408 0.02502711 0.07157035 -0.02412850 0.01319086 -0.01834485 +C 7.44636507 7.10608002 5.66006078 -0.00014955 -0.00368386 -0.00692603 -0.02585126 -0.01109987 -0.01745667 -0.00589184 0.00158265 0.00314394 +H 6.37487844 7.81722489 7.23224123 -0.00748544 -0.00435896 -0.01076972 0.07073503 0.10032282 0.03105213 0.01840810 0.01058509 -0.01219797 +O 7.38295513 6.40933458 4.69206603 -0.00040402 0.00069081 -0.00029019 0.01214344 -0.01084180 -0.02803018 0.00345133 -0.00373931 -0.00753802 +C 8.77558053 7.63775662 6.09269594 0.00432250 0.00230731 0.00056770 0.01185029 0.02609166 0.01301475 -0.00248284 0.00081895 0.00376457 +H 8.79638023 7.52878000 7.17670758 -0.00881577 0.00168700 0.00143539 0.00061326 0.08693871 0.01302491 0.00570154 0.02234437 0.00382930 +H 9.65681671 7.14946986 5.65057774 -0.01874206 -0.01814218 0.03052184 -0.05949036 -0.18907749 0.13787450 0.00028582 -0.02075214 0.00703571 +H 8.85001815 8.71188864 5.74235420 -0.01004457 0.00034891 -0.00021631 -0.02002697 -0.02930744 0.05963894 0.01342368 0.01956930 0.00135391 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98807626 5.73694414 5.74691100 0.00434381 -0.00065589 -0.00125440 0.03950802 -0.01664298 -0.00829525 0.00459675 -0.00290070 -0.00201013 +C 2.31784274 6.11297542 5.87945432 0.00362840 0.00701467 -0.00672593 -0.00891742 0.01844217 -0.06046432 -0.00259592 -0.00433197 -0.00976670 +H 0.38382344 6.29826486 5.35724051 -0.00872714 0.00206464 0.02287365 -0.00084644 0.07041737 0.16539742 0.02677950 -0.00310122 0.03461978 +C 2.53308689 7.47210660 5.97553794 -0.00773305 -0.00286651 0.00128074 -0.03539591 0.00019909 -0.00438737 0.00093269 0.00298759 -0.00150150 +H 3.15428025 4.17913950 5.63633861 0.00109806 -0.00041593 0.00246439 0.01409762 -0.07195193 0.01310595 0.01203418 0.00509097 0.00493159 +C 3.86449754 7.84341349 6.03731085 -0.00047044 -0.00004479 0.00046570 0.01162960 0.01823759 0.02087840 0.00111199 0.00740168 0.00441308 +H 1.72788707 8.19447105 5.82456218 -0.02594985 0.00880691 0.00627452 -0.03483332 -0.04262572 0.17477537 0.00189767 -0.00698976 0.03529075 +C 4.98487565 6.93103329 6.08271750 -0.00199540 0.00548001 -0.00482787 -0.00354070 0.05020656 -0.03848038 0.00116770 0.00529029 -0.00523151 +H 4.02859760 8.87624797 6.21931914 -0.00666484 -0.00501009 -0.00635954 0.02158195 0.06696918 -0.10788899 0.00956590 0.00551349 -0.01938176 +C 4.70160245 5.58375528 5.92826298 -0.00948555 0.00062796 0.00505667 -0.03338464 0.01189855 0.03648212 0.00026342 0.00684676 0.00467963 +N 6.32568613 7.43329412 6.14941807 0.00326702 -0.00023509 0.00372990 0.00258685 -0.01374928 0.02707812 -0.00259008 -0.00122330 0.00418992 +C 3.36154924 5.19670063 5.76197564 0.01302587 -0.00312409 0.00294025 0.04746827 -0.02692132 0.02885272 -0.00495201 -0.00478056 0.00444927 +H 5.54129011 4.82529750 5.99709655 -0.00385689 0.01426255 -0.01420716 -0.11699217 0.04869514 -0.12704143 0.00622445 -0.02642530 -0.01547899 +C 7.50958702 6.84630238 5.89030757 -0.00362007 -0.00864020 0.00901161 -0.00604015 -0.03734984 0.05674645 0.00244323 -0.00084525 0.00651594 +H 6.47579303 8.38029167 6.45867825 0.00224200 -0.02219042 -0.01408028 -0.03510311 0.05530836 -0.05592703 -0.01106519 0.01115356 -0.00686114 +O 7.63241350 5.68445217 5.55244273 -0.00045964 0.00246985 -0.00348608 -0.00275255 0.00206758 -0.02749156 -0.00054325 -0.00241701 -0.00420791 +C 8.79709711 7.69819304 6.00908332 -0.00033128 -0.00209576 -0.00417466 -0.00429098 -0.00822650 -0.02767662 -0.00279837 -0.00191153 0.00045288 +H 9.55201535 7.47837804 5.18554022 0.00484603 -0.00044133 -0.02148404 -0.13630535 0.00156258 -0.01473618 -0.01363139 -0.00718358 -0.01386733 +H 8.56969825 8.78011633 5.95709359 -0.00011515 0.02099796 -0.00105933 0.02423831 -0.05740126 0.01177757 0.00009704 -0.01345187 0.00113862 +H 9.28950174 7.46349794 6.92012554 0.01326904 -0.00012181 0.01292565 0.03175406 0.03582319 -0.01013200 -0.00749470 0.00980979 -0.02771618 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.93515434 5.90149323 5.71324661 0.00026680 -0.00222453 0.00111516 0.00295381 -0.01813567 0.01502597 0.00131920 -0.00242823 0.00379378 +C 2.29031934 5.97376588 5.79103113 0.00174258 0.00375458 -0.00449134 0.00347683 0.03714521 -0.02782883 -0.00028014 0.00620409 -0.00228318 +H 0.42792814 5.92780609 6.54508889 0.04019090 0.02663679 0.00672293 0.25874131 0.19576332 0.09328561 0.02268005 0.02549359 0.01477132 +C 2.94206066 5.97583241 4.54492224 0.00256829 -0.00675850 0.00365927 0.01458459 -0.04750060 0.01243239 0.00221360 -0.00471193 0.00161393 +H 2.62553326 6.49353249 7.97351059 0.02160690 -0.01499441 0.01594531 0.00499054 -0.15856672 -0.02950789 -0.02015583 -0.02488767 -0.01622224 +C 4.32424272 6.19937644 4.48160339 -0.00233963 -0.00345153 0.00097177 0.00055876 -0.01874459 -0.01815094 0.00266450 -0.00183412 -0.00336531 +H 2.42318109 5.75565173 3.56740875 -0.02202211 0.04175607 -0.00334583 -0.09240637 0.26940452 0.15315387 -0.01697196 0.01957462 0.00765735 +C 5.15084725 6.45245866 5.59217088 -0.00360280 0.01088419 -0.00273020 -0.02813314 0.06668435 0.00101721 -0.00271742 0.00705499 0.00103505 +H 4.69609740 6.25571026 3.45087645 0.00483333 -0.00417523 -0.00523067 0.07765622 -0.06818625 0.05742802 0.01984912 -0.01229987 -0.00069911 +C 4.42632536 6.49627711 6.85703413 -0.00074746 -0.00112190 -0.00133770 0.00798130 0.01284807 -0.00921244 0.00150810 0.00363440 -0.00362572 +N 6.54207266 6.73276085 5.39682854 0.00591239 -0.00560637 0.00052406 0.01652666 -0.03473479 -0.00757115 -0.00258617 -0.00356973 -0.00139169 +C 3.00735690 6.30013872 6.97155590 -0.00054414 0.00137008 -0.00243984 0.02738583 0.00671883 -0.02172912 0.00722130 -0.00013815 -0.00446356 +H 4.92532324 6.87894827 7.77716639 0.01804236 -0.00268279 0.01515514 0.02843771 -0.17840627 -0.05881176 0.00888567 -0.03285669 0.00358120 +C 7.42873115 7.28283320 6.22510711 -0.00497531 0.00226613 0.00021891 -0.03053068 0.00376461 0.04363488 -0.00243992 -0.00206565 0.00701023 +H 6.95984106 6.52941763 4.51940595 0.01246327 0.00125123 -0.01180977 -0.02761312 0.02557341 -0.04441326 -0.01772234 0.00560569 0.00296444 +O 7.18566255 7.34723416 7.46239664 0.00136690 0.00059791 -0.00074517 0.01485558 0.01266776 -0.01863987 0.00201145 0.00310874 -0.00204963 +C 8.82685430 7.67632584 5.72787827 -0.00629824 -0.00390916 0.00444450 -0.04078479 -0.02642842 0.00609154 -0.00638930 -0.00156138 -0.00008083 +H 9.38814872 8.36313332 6.35342156 -0.00237218 -0.01233268 0.00231587 -0.07677290 -0.05849432 0.09281912 -0.01912783 -0.01173567 0.01875689 +H 9.46118560 6.74953887 5.68962707 -0.01211936 0.00094022 -0.00724382 -0.09766760 -0.00007048 -0.06249278 -0.00157410 -0.01851837 -0.01385940 +H 8.81545244 8.07470238 4.70703583 0.00045214 0.03117304 -0.00535217 -0.04598967 0.13149741 0.12488978 -0.01400877 0.00999584 0.02426688 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04468335 5.62797965 5.63161863 -0.00463549 -0.00015230 0.00461944 -0.03914129 -0.00471073 0.04864956 -0.00685419 -0.00138163 0.00918203 +C 2.30856389 6.00258627 5.95084776 -0.00774307 -0.00179917 0.00021217 -0.02222328 -0.02413515 0.01426350 0.00252378 -0.00349420 0.00083066 +H 0.78733660 6.01653923 4.78030670 -0.01789429 -0.01277957 0.02170040 -0.16957555 -0.06524736 0.06790979 -0.02356483 -0.00443150 0.00035887 +C 3.00783546 5.60849373 7.14140776 0.00230334 -0.00501457 0.00116245 -0.01056962 -0.03880687 -0.01400181 -0.00704212 -0.00730179 -0.00322261 +H 2.45915381 6.93790865 4.09418503 0.01874844 0.01323360 -0.02066954 0.18459916 0.03748377 -0.10389979 0.02334230 -0.00376291 -0.00601598 +C 4.41067030 5.77142636 7.26827136 -0.00800087 0.00064596 -0.00388286 -0.04294926 0.02061278 -0.03872037 -0.00358154 0.00507991 -0.00680023 +H 2.47485538 5.09401146 7.87512054 0.01449739 -0.00636754 -0.00030969 0.04256335 -0.10871905 0.06795886 0.01061101 -0.00532642 -0.00752243 +C 5.09202935 6.51820602 6.27760486 0.00558918 0.00341682 -0.00012610 0.04467419 0.01371005 0.00019377 0.00390144 0.00072284 -0.00113688 +H 5.01449418 5.34372590 8.09471697 -0.03419000 -0.00334246 -0.00750812 -0.24418886 -0.01444650 0.03122495 -0.01903464 -0.00195856 0.02101858 +C 4.35601014 6.94448005 5.13203935 0.00060662 -0.00166376 -0.00006537 0.02908910 0.00568964 -0.02027799 0.00775289 0.00195418 -0.00194264 +N 6.51383917 6.66378345 6.45035621 0.00414655 0.00559899 0.00031352 0.00537858 0.03984614 0.00376642 -0.00230374 0.00545392 0.00016880 +C 3.00632823 6.62044932 4.96214097 0.00579562 -0.00055032 -0.00390815 0.02939325 0.01289733 -0.03454275 0.00184534 0.00296153 -0.00427335 +H 4.74607151 7.46907420 4.25916503 0.00602576 0.03562817 -0.02228393 0.05465976 0.07631230 0.13209493 0.01734891 -0.00006002 0.02880603 +C 7.35450334 7.36253048 5.65820638 0.00503960 -0.00283441 0.00489881 0.05781263 -0.01688220 0.03421177 0.00751300 0.00204089 0.00008745 +H 6.95468923 6.30111429 7.31538637 -0.00462935 -0.01452906 0.00510842 -0.08057614 -0.09949452 -0.08881914 -0.00216103 -0.02264777 -0.00407650 +O 7.07451251 8.08984655 4.75445883 -0.00717863 0.00293644 -0.00600794 -0.05145385 0.01670469 -0.03949771 -0.00542660 -0.00028512 -0.00240408 +C 8.87182811 7.18350343 5.96483364 0.00572655 -0.00252383 0.00813445 0.02224885 -0.01137693 0.03720465 0.00230221 -0.00110678 0.00218031 +H 9.30554693 6.95500197 4.99741569 0.01232864 0.00224612 -0.00962472 0.08611775 0.00773909 0.07840813 0.00764587 -0.00448773 0.02505618 +H 9.20856835 8.15481466 6.34062835 0.02606323 0.00841330 -0.02075916 0.19368131 -0.05443273 -0.08827228 0.02342259 -0.02059999 0.00392908 +H 9.07068121 6.38259815 6.68219041 -0.00207432 -0.02148638 -0.00453523 0.01525723 -0.06699097 -0.03599916 0.00802582 0.00373626 -0.00135573 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98246768 5.68088343 5.92015968 -0.00344104 0.00249402 -0.00528731 -0.01188551 0.03116636 -0.03330808 0.00052273 0.00374913 -0.00377487 +C 2.28111142 6.13934205 5.90393752 0.00122393 -0.00018289 0.00808525 -0.00292652 -0.01674682 0.04648200 -0.00355771 -0.00299210 0.00504887 +H 0.91099890 4.77217494 6.00889523 0.02917556 0.00787647 -0.00064993 0.13310856 0.00078792 -0.02174035 0.00175311 0.02708216 -0.00974140 +C 2.66918458 7.47698103 6.12789809 0.00273059 -0.01069738 -0.00054881 0.03218722 -0.04108162 0.01137848 0.00424834 -0.00033571 0.00371053 +H 3.00792614 4.19051156 5.46076340 0.02262751 0.00075263 0.00683404 0.12081084 -0.03171689 -0.00083283 0.00414139 0.01259531 -0.00338149 +C 4.04733285 7.85147273 6.26528101 0.00567642 -0.00582894 -0.00546466 0.01338019 -0.05238919 -0.04192766 -0.00389308 -0.00790919 -0.00572820 +H 1.97758536 8.25906426 6.30135601 0.00837346 -0.00156629 -0.00619896 -0.03262379 -0.05660323 -0.02022209 -0.00405178 -0.02165197 -0.00089544 +C 5.04569293 6.91504718 5.95025558 0.00713630 0.00146308 0.00551810 0.00325335 0.01194758 0.04210099 -0.00584833 -0.00182054 0.00472135 +H 4.42518451 8.86047040 6.59866904 0.00080430 -0.02416110 -0.00769993 -0.13401381 -0.05004260 -0.07542626 -0.02446373 0.02904372 -0.00809333 +C 4.64274935 5.61893427 5.59518915 -0.00407136 0.00304450 0.00174817 -0.01212862 -0.00443827 0.00632883 0.00014508 -0.00043489 0.00146114 +N 6.29523812 7.42859145 6.16272728 -0.00884511 0.00067838 -0.00205862 -0.00882216 -0.00255179 -0.02056594 0.00652881 -0.00006757 -0.00275730 +C 3.29855281 5.19401355 5.63879858 -0.00899718 0.00517823 0.00196592 -0.04171392 0.03810852 0.01382027 0.00032661 0.00096739 0.00103497 +H 5.30485465 4.80049133 5.29861316 0.01961647 0.00578508 -0.00618854 0.10769689 0.15628806 0.04101787 0.01278218 0.01477498 0.01042980 +C 7.47175906 6.89303513 5.81702031 0.00159659 0.00205657 0.00156806 -0.00973385 0.01401861 0.01252071 -0.00348812 0.00047384 0.00040597 +H 6.39974320 8.32496748 6.61123370 0.01693280 -0.00941958 -0.00129844 -0.00298233 -0.01590557 0.01422139 -0.01849910 0.00206774 0.00240433 +O 7.60054107 5.84781991 5.23950190 -0.00071268 0.00160094 0.00004724 -0.00307569 -0.00145649 -0.00864044 -0.00014756 -0.00117586 -0.00197494 +C 8.68603350 7.61749120 6.28652457 0.00324287 -0.00163953 -0.00505524 0.01404546 0.01262551 -0.02370624 0.00411982 0.00077612 -0.00210313 +H 8.73257429 8.63879773 5.77941400 0.01379582 0.01487637 0.02476128 0.04165582 0.02128804 0.25667613 -0.00148432 0.02430756 0.02580581 +H 8.59620845 7.63372066 7.38542949 -0.02423632 -0.00399922 0.01392151 0.01335442 -0.00923583 -0.07268276 0.02482023 -0.00276943 -0.01275949 +H 9.49954483 7.10052305 5.89162409 0.00001033 0.01415304 -0.00484673 0.15637947 0.00131152 0.03225730 0.00302207 0.00899610 0.02391018 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98502267 5.78070109 5.75103393 0.00228987 -0.00082194 -0.00081442 0.01841661 -0.00605625 0.01063665 0.00105689 -0.00099225 0.00148764 +C 2.33027434 6.04179675 5.92752693 -0.00300963 0.00386663 -0.00078659 -0.00496008 0.01437469 0.00400699 0.00370524 -0.00069330 0.00284828 +H 0.66260495 5.77693990 4.88488229 -0.01440024 -0.00164227 0.02422945 -0.07905880 0.02856841 0.00797832 0.01180019 0.00994767 0.01744399 +C 2.98341161 5.62524276 7.11218855 0.00888770 -0.00573547 0.00302596 0.04866158 -0.02725178 0.02350354 0.00262525 0.00025115 0.00069340 +H 2.54626877 6.96159823 3.97186315 -0.01042486 0.00211325 -0.01140550 0.06255724 -0.02215867 0.00572664 0.00741513 0.00235158 -0.01598489 +C 4.39928327 5.83772724 7.33457131 0.00061006 0.00298741 0.00517627 0.01024881 0.02700033 0.02533980 0.00223271 0.00435131 -0.00075009 +H 2.40431503 5.13649793 7.90588021 -0.02550060 0.02112067 0.00494933 -0.05694912 0.14260290 -0.02354398 0.00694622 0.00585386 0.00472944 +C 5.16957449 6.45364758 6.31827752 0.00322864 -0.00303738 -0.00445961 -0.03642472 -0.03051932 -0.05975290 -0.01186649 -0.00571146 -0.00980717 +H 4.90550732 5.58990950 8.27669246 0.02253596 0.00231086 0.00817638 0.00464563 -0.00348811 -0.03022465 -0.01018982 -0.00371832 0.00288658 +C 4.48182480 6.78027413 5.10739987 -0.00757516 -0.00319279 -0.00483505 -0.06285706 -0.01924273 -0.03647513 -0.00691173 0.00058903 -0.00882878 +N 6.50726427 6.59960671 6.37818627 -0.00339279 0.00395167 0.00220695 -0.00902297 0.02625625 0.03527307 -0.00028451 0.00355609 0.00626203 +C 3.07547142 6.65126026 4.90892954 -0.00208805 -0.00198999 -0.00698729 -0.02163800 -0.02250741 -0.03472548 -0.00382808 -0.00562588 -0.00007331 +H 4.96973473 7.04916357 4.22871850 -0.03792013 0.02681951 0.00827674 -0.08804003 0.26859492 -0.02523118 -0.00480599 0.02341302 0.01982214 +C 7.34774908 7.27341193 5.58411287 -0.00262379 0.00503704 0.00525139 -0.01058700 0.04337739 0.04345433 -0.00043893 0.00757543 0.00667202 +H 6.84938229 6.32199807 7.26815428 0.00342282 -0.02514398 0.00800702 0.06467317 -0.14273851 -0.07264969 0.01081210 -0.01311787 -0.02364922 +O 7.09889663 7.91599568 4.57838246 0.00801429 0.00167034 -0.00015183 0.04510176 0.00801099 -0.00641562 0.00455476 0.00043624 -0.00111549 +C 8.72064954 7.39817088 6.13664403 -0.00319748 -0.00330147 -0.00120599 -0.00617755 -0.01098963 0.01684619 0.00465688 -0.00296062 0.00301925 +H 9.23360762 6.48540391 6.24848690 -0.01372565 -0.00050228 -0.01351948 -0.05203685 -0.12525142 -0.12661786 -0.01799937 -0.00437816 -0.02092112 +H 9.26706067 8.09586153 5.53985307 -0.00093305 -0.01874152 -0.01035161 0.06769933 -0.11060402 -0.09464540 0.00646506 -0.02056706 -0.00077517 +H 8.63975901 7.87017222 7.13264539 0.02926924 -0.01077194 0.02375080 0.19147042 -0.12447377 0.01419213 0.02151460 -0.01386989 -0.00228324 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98955116 5.82762856 5.92195345 0.00543142 0.00045431 -0.00397097 0.01378967 0.00431470 -0.04382413 -0.00009260 0.00033847 -0.00566234 +C 2.30723631 6.06822714 5.89626032 -0.00222431 0.00906395 0.00239297 0.01179479 0.05406134 0.03793445 0.00490419 0.00593804 0.00681472 +H 0.54332619 5.99619924 5.09520570 -0.01721649 -0.00122579 -0.01727881 -0.00458934 -0.02087348 0.00764806 -0.00205447 0.00342273 -0.01801955 +C 3.00965494 5.77369488 7.08385833 0.00217744 -0.00484776 -0.00261363 -0.00594810 -0.04325671 -0.00083430 -0.00366573 -0.00617048 0.00261850 +H 2.71166664 6.72220796 3.79000859 -0.03598558 -0.01357202 -0.01159492 -0.23581782 -0.10824268 0.13720590 -0.02461405 -0.00818869 0.02702952 +C 4.40466887 5.90438228 7.27543497 -0.00313037 -0.00152327 -0.00042765 -0.03427164 -0.00922044 0.01821077 -0.00584930 0.00000078 0.00198595 +H 2.40841333 5.31518515 7.86783759 -0.00831639 0.00553886 0.00021231 -0.00101277 0.08454253 0.03493246 0.00079227 0.00942689 0.01526937 +C 5.13409210 6.39217261 6.19539074 -0.00560105 -0.00227015 -0.00146509 0.00243039 -0.01756933 0.00555373 0.00557658 -0.00308301 0.00324905 +H 4.78808467 5.65318911 8.26391272 -0.00076832 0.00789269 0.04743316 -0.02717270 0.08960871 -0.04020721 0.00280797 0.00810782 -0.02546764 +C 4.43627009 6.70150564 4.99351733 0.00588451 -0.00331875 0.00160095 0.03849680 -0.03435186 -0.02087749 0.00332093 -0.00658991 -0.00662791 +N 6.54853337 6.51050179 6.37103942 0.00057438 -0.00693335 0.00473402 0.00053522 -0.02483641 -0.00049217 -0.00084560 -0.00079174 -0.00306254 +C 3.04784113 6.51264382 4.80778574 -0.00421857 0.00284745 0.00439293 -0.00826344 0.03019586 0.00901870 0.00265329 0.00480587 0.00069317 +H 4.97851235 6.92549083 4.09691587 0.03367933 -0.01860728 -0.01145114 0.11177425 -0.07469856 0.04396806 -0.00280091 -0.00249475 0.01142688 +C 7.40797104 7.26193865 5.59807343 0.00222911 0.00604367 0.00528432 -0.02162749 0.02334032 0.07139513 -0.00740758 0.00253746 0.01130007 +H 7.01200574 6.15804913 7.20896839 0.00405666 0.00351333 -0.01103860 -0.03845619 -0.07320202 0.01000503 -0.01484422 -0.02077301 0.00734657 +O 7.02538888 7.95730200 4.69695090 -0.00368657 -0.00156430 0.00014813 -0.01811108 -0.00490247 -0.01191744 -0.00106256 -0.00061748 -0.00191603 +C 8.77491378 7.43090866 6.19970029 0.00674549 0.00332314 -0.01095044 0.04526858 0.03482280 -0.04586936 0.00532407 0.00507706 -0.00400606 +H 9.51803901 6.71227545 5.90143543 -0.01186187 -0.00549284 -0.00297066 -0.04674647 -0.09828119 -0.06764730 -0.00793172 -0.00333781 -0.01030949 +H 9.18521874 8.41131386 5.96676628 -0.00558139 0.01404645 0.00746267 -0.01717163 0.07019613 -0.01671267 0.00570024 0.00178036 -0.01459943 +H 8.68360590 7.42259535 7.29463758 -0.01587196 0.01083541 0.01539580 -0.01186582 0.03234504 -0.10571783 0.01516136 -0.00249068 -0.02081401 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.08028461 5.57555064 5.93016353 -0.00007819 -0.00154576 -0.00014154 -0.01614147 -0.00564057 -0.01972502 -0.00243393 0.00009341 -0.00416974 +C 2.36103412 5.96137674 5.92461436 0.00085191 0.00316339 -0.00125965 0.01131217 0.02685395 -0.01649577 0.00081973 0.00070297 0.00180273 +H 0.60407784 5.73385014 5.13652116 -0.00494805 0.00986923 -0.02315572 0.05348657 0.04591527 -0.01147132 0.00257156 0.00841645 -0.00608448 +C 3.06812139 5.54280839 7.05164141 0.00339329 -0.00829923 0.00731495 0.01301749 -0.05573019 0.03013091 0.00017884 -0.00440962 -0.00293259 +H 2.34361624 7.20934512 4.06655590 0.00188878 -0.01866515 0.00536578 -0.00939422 -0.10466629 -0.06836818 0.01373728 -0.01820316 0.00426282 +C 4.42530275 5.79011843 7.16979152 -0.00244392 0.00532537 -0.00593985 -0.00739189 0.03279154 -0.02612585 0.00142311 0.00436890 -0.00163700 +H 2.57723520 4.92267103 7.83350280 0.00666203 -0.00713586 0.01212776 0.04740175 0.00051347 0.03175120 -0.00374348 -0.00769443 0.01253798 +C 5.04852546 6.53559623 6.17240176 0.00015118 0.00509170 -0.00155880 0.00880869 0.05232482 -0.03301156 0.00232770 0.00767860 -0.00494273 +H 4.93943341 5.41781176 8.02309874 0.01742753 0.00850211 0.01285901 0.04287154 0.09718033 -0.04153408 -0.00606656 0.01622028 -0.02081621 +C 4.33486954 7.08813544 5.01934664 0.00847015 -0.00071425 -0.00591235 0.01719218 -0.03126311 -0.00496697 -0.00276879 -0.00336311 0.00001978 +N 6.39705341 6.75122358 6.40001306 0.00165832 0.00147303 0.00550982 -0.00063713 0.01013101 0.03707888 -0.00140755 0.00173788 0.00484639 +C 2.94115964 6.77348222 4.82745624 -0.00433989 0.00184498 -0.00102203 0.00348311 -0.00847563 0.05451776 0.00489794 -0.00228094 0.01124151 +H 4.84693396 7.75761109 4.39757552 -0.02185136 -0.00575840 0.02577015 -0.02849463 0.08509728 -0.09157368 -0.00618144 -0.01053482 -0.01761213 +C 7.33477307 7.33425362 5.66572569 -0.00209977 -0.00363997 0.00182405 0.04423615 -0.03711792 0.04410760 0.01050375 -0.00478006 0.00590943 +H 6.74389085 6.34736246 7.26897457 -0.02377867 0.00917668 0.00544575 -0.09436508 0.04368123 0.08455030 -0.00076677 0.00329360 0.01687914 +O 7.21179073 7.87236209 4.61990239 0.00121089 0.00170704 0.00300367 -0.00224399 0.02074097 0.00270881 -0.00127812 0.00293618 -0.00000079 +C 8.82667117 7.20589445 6.24714227 -0.00287249 -0.00214663 -0.00540711 -0.04827279 -0.00651153 -0.04760682 -0.00994816 -0.00092411 -0.00669976 +H 9.21025404 8.22421762 6.51401887 -0.01685869 -0.01011531 -0.00656088 -0.09045664 -0.01978248 -0.10801346 0.00054186 0.01827231 -0.01594569 +H 8.99558991 6.67179474 7.21758018 -0.00197828 -0.00113008 -0.01691289 -0.09703339 -0.10071214 -0.14765860 -0.02260524 -0.02764706 -0.00529955 +H 9.44152858 6.81779093 5.38151921 -0.01081728 -0.01522372 0.00559040 -0.02839839 -0.10442991 0.10061080 0.01240657 -0.01852320 -0.00197552 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03521605 5.58863865 5.66167802 -0.00528242 0.00050571 0.00373127 -0.03074374 0.00902755 0.02556059 -0.00492688 0.00438366 0.00373537 +C 2.29988370 6.16907170 5.84879876 -0.00694667 -0.00316774 -0.00583219 -0.07169753 -0.01490078 -0.04403865 -0.00750867 0.00035550 -0.00522949 +H 1.03492016 4.64244177 5.50406612 0.00504404 -0.02206259 -0.00489602 0.03089426 0.06011774 0.01075043 0.00256414 -0.00740716 -0.00043592 +C 2.57275251 7.54047347 5.87164101 -0.00433698 0.00299878 -0.00025363 0.00661630 0.01478792 0.00900261 0.00268174 -0.00155711 0.00217150 +H 3.13414991 4.24717367 6.08615706 -0.02660176 0.02446704 -0.01122272 -0.18407513 -0.06414924 -0.11568009 -0.00570111 -0.01407236 -0.01762661 +C 3.96203915 7.97820790 6.07473039 -0.00293927 -0.00049332 -0.00169835 -0.03626087 -0.00687063 -0.02526539 -0.00582196 -0.00074263 -0.00497700 +H 1.77039521 8.29841122 5.77153437 0.01190351 -0.01923904 0.01027235 -0.03166095 -0.02861662 0.06100289 -0.01849498 0.01635184 0.00692148 +C 5.02493654 7.00403499 6.07929803 0.00104456 0.00308711 -0.00456541 -0.03096123 0.03661322 -0.03997294 -0.00926338 0.00503659 -0.00620796 +H 4.16618987 9.03116119 6.09284799 0.00708172 0.02032135 0.00662643 0.00166143 -0.03534273 0.03683047 -0.00858020 -0.02163455 0.00247614 +C 4.63861639 5.66104106 6.01992535 -0.00228830 0.00179669 0.00194145 0.01866725 -0.00708588 0.02318612 0.00430052 0.00014194 0.00367126 +N 6.33198073 7.45995223 5.99044193 -0.00657444 0.00722131 0.00330531 -0.02694989 0.04661753 0.02399660 0.00149916 0.00427949 0.00290288 +C 3.30721033 5.28749587 5.96388691 -0.00291878 -0.00316393 0.00295232 -0.00576725 -0.03513569 0.02335710 -0.00187409 -0.00782805 0.00265886 +H 5.36300019 4.83307460 6.12564003 0.03535325 -0.00950945 -0.00993024 0.04265682 0.12988637 -0.10593364 0.00309219 0.01102490 -0.01370420 +C 7.47158359 6.80066469 5.88120411 0.00751474 -0.00286509 -0.00055620 0.05055502 -0.00973020 -0.00603602 0.00460497 0.00032017 -0.00075798 +H 6.42869496 8.45622732 5.94081248 -0.00290540 0.01174533 0.00294737 -0.02790441 0.05044850 0.07054576 -0.00508537 0.00208103 0.01682861 +O 7.59648625 5.60887981 5.71674539 0.01002599 -0.00659318 -0.00185818 0.06604702 -0.05096138 -0.01142284 0.00862087 -0.00643118 -0.00129142 +C 8.73594028 7.62743647 5.92073770 0.00909914 0.00054812 0.00078584 0.06603019 0.01107298 0.02122946 0.00849891 0.00247997 0.00173910 +H 9.26402210 7.59861885 4.99641666 0.00848491 0.01901879 0.00944344 0.09257961 0.07221713 -0.02631863 0.00380926 0.00360475 0.00416740 +H 8.54455550 8.69195077 6.09716547 -0.03102009 -0.01020335 -0.00255215 -0.16853322 -0.06076119 0.02392117 -0.00525577 -0.00323651 0.01161751 +H 9.39314898 7.28946402 6.73937697 0.02983596 -0.00325721 0.00975624 0.09211491 0.02802602 -0.05376421 0.00640220 0.00769156 -0.00677684 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92727762 5.80227314 5.84794004 0.00056554 -0.00553786 -0.00282189 0.02194778 -0.03341257 -0.01579486 0.00473772 -0.00534490 -0.00204555 +C 2.27297186 6.13346358 5.92709557 0.00202584 0.00070217 0.00554047 -0.02108563 -0.00106010 0.02919790 -0.00781754 -0.00162552 0.00249482 +H 0.76658622 4.94358682 5.45314981 0.01889141 0.00469504 0.02288248 0.09749725 -0.11321029 0.10941350 0.01000997 -0.01448228 0.01531581 +C 2.54573923 7.44046253 6.28148076 -0.00171505 -0.00541990 -0.00151691 0.01703107 -0.03281073 0.01511086 0.00419527 -0.00061236 0.00690831 +H 3.04706493 4.30725320 5.32066646 0.00287112 0.01356928 -0.01575109 0.01767286 -0.02765090 -0.13856090 0.00584239 0.01248241 -0.00800489 +C 3.91789208 7.73975068 6.38755186 -0.00232922 -0.00420941 -0.00362155 -0.00066534 0.00983823 -0.02710521 0.00353591 0.00753404 -0.00389715 +H 1.82084019 8.09258431 6.64462067 0.00881294 0.01024814 0.01618911 0.01043291 0.04845372 -0.00190294 0.01135749 -0.01649712 -0.02511704 +C 5.00510535 6.91222025 5.99006661 0.00474772 0.00499686 -0.00104082 0.00400252 0.00068990 0.00043598 -0.00282841 -0.00181078 0.00177836 +H 4.07661685 8.71875611 6.74461859 0.00383648 0.00380166 -0.01489436 0.08131454 0.04312677 -0.08657599 0.01066541 -0.00434577 -0.01287202 +C 4.65178642 5.55313943 5.64793620 0.00205931 0.00441285 0.00457361 0.04359054 0.07453755 0.01434878 0.00421021 0.01157551 -0.00138745 +N 6.31692193 7.39470334 6.05589798 -0.00588369 -0.00152161 -0.00023019 -0.01195809 0.01095823 -0.00620266 0.00330049 0.00594716 -0.00108451 +C 3.33942639 5.25103268 5.61805359 -0.00342586 0.00892311 -0.00042299 -0.05468570 0.02578628 -0.01163390 -0.00697138 -0.00360049 -0.00411394 +H 5.42772430 4.93611107 5.21492253 -0.00551775 0.00460056 -0.01598937 -0.06352075 -0.04515538 0.02245014 -0.00348384 -0.00874730 0.02220954 +C 7.52871043 6.87236658 5.72957470 0.00532456 0.00662560 0.00243987 0.01775181 0.03779105 0.03771722 -0.00182376 -0.00024445 0.00616195 +H 6.40837213 8.30587912 6.38713007 0.00349856 0.02105802 -0.00787615 -0.04426585 0.04183194 -0.05804149 -0.01649779 -0.01655692 -0.01022790 +O 7.74317073 5.75264446 5.32001134 -0.00289272 -0.00241141 -0.00014869 -0.02236478 -0.01168649 -0.00440209 -0.00352175 0.00098303 -0.00029504 +C 8.73223587 7.76084800 6.17283872 0.00093141 -0.00729874 0.00000244 0.01823988 -0.05443301 0.00229758 0.00310486 -0.00793116 0.00158145 +H 8.99882461 7.68017371 7.22248285 -0.00509490 -0.00587619 0.00369996 -0.14704469 -0.02701645 0.03883517 -0.02467063 -0.00340053 0.00190760 +H 9.69579281 7.31533396 5.81001184 -0.01385317 0.01131226 -0.01129243 -0.07583552 0.03275140 -0.18743163 0.00821042 -0.01177149 -0.03649822 +H 8.71332491 8.84625248 5.87784184 0.01446856 -0.02014769 0.00243186 0.00842136 -0.10857258 -0.01076943 -0.01422930 0.01076975 -0.00800592 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01165692 5.57767240 5.89601492 -0.00063813 0.00180810 0.00154830 -0.01396809 0.01097209 0.00346307 -0.00293065 0.00144376 0.00157801 +C 2.31462782 5.97628452 5.99923378 -0.00272639 -0.00119646 0.00104491 -0.02051951 -0.00167735 0.00773229 -0.00140137 0.00115201 0.00037950 +H 0.66136504 5.50132546 5.02446882 -0.02271380 -0.01069756 -0.01332817 -0.02927082 -0.04791218 0.05102124 0.00331905 -0.00623979 -0.00292864 +C 2.82198340 6.30454983 7.24998066 0.00580741 -0.00153725 -0.00111355 0.03687760 -0.01613000 0.01022743 0.00629873 -0.00238347 0.00034680 +H 2.67175648 5.98442736 3.85853799 0.01325891 -0.00358419 -0.00363727 0.08285261 -0.05165514 0.03377127 -0.00628191 -0.01558961 -0.02033369 +C 4.15041642 6.76266838 7.30837023 -0.00417643 0.00008164 -0.00222817 0.00426000 0.00007721 -0.02037502 0.00738386 0.00072669 -0.00394943 +H 2.20140252 6.14770450 8.18681645 0.04081739 0.00434250 0.03585970 0.27496489 0.09956508 0.03393900 0.00270726 0.01336395 0.01322311 +C 5.02077222 6.69739728 6.18962105 0.00168567 0.00305553 -0.00931352 -0.00478437 0.01941617 -0.05527226 -0.00206766 0.00291504 -0.00344912 +H 4.53218682 7.06275136 8.24409554 0.01402002 0.01263237 -0.00443858 0.05096471 0.04158451 -0.02030646 -0.00688290 -0.00628984 -0.01358709 +C 4.50662778 6.32043150 4.91521751 -0.00300361 -0.00594423 -0.00353455 0.00521261 -0.01105771 -0.01278959 0.00185208 0.00223342 0.00236532 +N 6.35389196 6.97739626 6.41152645 -0.00414724 -0.00099803 0.00707024 0.01800932 0.00883645 0.01859673 0.00633737 0.00284277 -0.00217604 +C 3.11971290 6.11990871 4.87357808 0.00357095 0.00316433 0.00238114 0.00833575 0.00074960 -0.02313360 -0.00086975 -0.00293912 -0.00483680 +H 5.15160919 6.39296841 3.99335396 0.02957346 -0.00288213 -0.00732271 -0.00805062 -0.10763869 0.10355481 -0.00229873 -0.02428509 -0.00734372 +C 7.46725633 7.22726721 5.57522981 0.00613742 -0.00084211 0.00370659 -0.01840655 -0.01698911 0.04191313 -0.00927399 -0.00295930 0.00488834 +H 6.59664742 7.04835883 7.40159448 -0.01061102 0.00755394 0.00586334 -0.06626865 0.01338346 0.02288341 -0.00229678 -0.00282857 0.00819996 +O 7.47267272 7.39036050 4.35488206 -0.00184418 0.00130522 -0.00042693 -0.01961843 0.00644345 0.00928705 -0.00385952 0.00026191 0.00442660 +C 8.77778847 7.16567528 6.30597676 -0.00543194 0.00163880 -0.00166720 -0.00599770 0.00106179 0.00680340 0.00234793 -0.00043556 0.00126183 +H 8.94351788 6.09773189 6.62375041 -0.00623635 -0.01182380 -0.00942717 0.02093440 0.03738956 -0.21362166 0.01592400 -0.00776802 -0.03628400 +H 9.57933575 7.62112656 5.72107237 0.02214743 0.01097318 0.01068565 0.03858299 -0.03571852 0.09874290 -0.00700753 -0.01018128 0.00968649 +H 8.83307459 7.63874136 7.33291434 -0.00542767 -0.02323665 -0.00251243 -0.14119526 -0.05568460 -0.03582803 -0.02835002 0.01338426 0.01997017 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98828862 5.81249522 5.74653926 -0.00578490 0.00195741 -0.00342550 -0.02639429 0.00233326 -0.01887526 -0.00148149 0.00158300 -0.00154531 +C 2.29158412 6.11153638 5.92705832 0.00263417 0.01244652 0.00258604 0.01621771 0.05374234 0.00909696 0.00052748 -0.00404600 -0.00187540 +H 0.40512123 6.55229780 5.66666239 0.01303705 -0.01122742 0.01855178 -0.01926320 0.05171700 0.12893489 0.00041951 -0.00522013 0.01667622 +C 2.62259619 7.42718885 6.32552723 -0.00041937 -0.00351924 -0.00813252 0.00121023 -0.01009727 -0.05932409 0.00353984 0.00390716 -0.00670549 +H 3.07371370 4.12732369 5.72279227 0.00252196 -0.01780218 -0.00623907 0.02039696 0.00575139 -0.12753387 0.00156977 0.00550143 -0.02516080 +C 3.95884028 7.78530374 6.27930998 -0.00067842 -0.00613334 0.00696558 0.02226315 -0.02339820 0.03651887 0.00510751 -0.00236007 0.00221407 +H 1.83145352 8.16243858 6.51687083 0.02014648 0.00311980 0.00705054 0.10427747 0.02438214 0.05356390 -0.00311941 0.00701730 0.00370563 +C 5.00104309 6.89650348 5.86917738 0.00086770 0.00036150 -0.00270107 -0.00622666 -0.01723249 0.00229917 -0.00129241 -0.00422244 0.00371979 +H 4.22655752 8.81406921 6.54416063 0.00389333 0.00544821 -0.00167291 -0.01522527 -0.04433332 -0.01742456 -0.00127153 0.00078909 0.00446377 +C 4.69734445 5.50252059 5.71600094 -0.00650533 -0.00602535 0.00288504 -0.02396377 0.01047408 0.02247972 0.00233533 0.00689750 0.00333529 +N 6.29418081 7.39210368 5.94645853 -0.00024869 -0.00308775 -0.00084696 0.01370849 -0.01239923 0.00602395 0.00134444 0.00020383 0.00295755 +C 3.32149793 5.18013311 5.74020322 0.01011302 -0.00166111 0.00334365 0.03228967 -0.03694919 0.02744661 -0.00417986 -0.00471897 0.00431400 +H 5.49006637 4.78871597 5.62213534 0.00730390 0.01560782 0.01285739 -0.01084745 -0.00614308 0.03544389 -0.01793789 -0.00902631 -0.00359279 +C 7.52786838 6.85174979 5.84124632 -0.00238409 0.00616122 -0.00208158 -0.03155186 -0.00270545 -0.05019296 -0.00313577 -0.00499703 -0.01081798 +H 6.47883853 8.33056890 6.21856388 0.01304856 -0.01219926 0.02591158 -0.10508165 -0.04628519 0.18124280 -0.03482681 -0.01145817 0.01872418 +O 7.71440748 5.74874108 5.25733807 -0.00037307 -0.00341960 -0.00202450 0.00220958 0.00154913 0.00476008 0.00074431 0.00317115 0.00274428 +C 8.62634402 7.75752165 6.32755032 -0.00040986 0.00316878 0.00031346 0.00908729 0.02858576 -0.00805221 -0.00097946 0.00466393 -0.00105422 +H 9.17966733 7.37472865 7.19633628 -0.00124106 -0.00544844 0.01476687 -0.02779147 -0.02709092 -0.04817151 0.00045353 -0.00579003 -0.01823508 +H 9.27281706 8.04503976 5.45480775 0.00479498 0.03142836 -0.00944770 0.00273899 0.07842137 0.10940199 0.01570367 -0.00076712 0.01160015 +H 8.17253105 8.68304954 6.62583941 -0.00065313 0.00000468 -0.00138213 0.01388205 0.04542637 0.05994130 0.00911725 -0.00123644 0.01355082 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04979814 5.66667528 5.91323124 0.00739914 -0.00259424 -0.00221063 0.04357946 -0.01519423 -0.01175480 0.00572789 -0.00148034 -0.00107272 +C 2.31283090 6.13463633 5.98391742 0.00894206 0.00418244 0.00503302 0.06784153 -0.00227036 -0.00686486 0.00734851 -0.00571732 -0.00700755 +H 0.92689342 5.00014049 5.29553470 -0.00659247 -0.00649837 -0.01786165 0.00306378 0.03292135 -0.05396458 0.00855004 0.01731989 0.00324988 +C 2.71577704 7.14934328 6.87298975 0.00984843 -0.00207293 0.00175182 0.04617565 -0.03554414 0.00488051 0.00041593 -0.00572376 0.00174256 +H 3.07529108 4.75142307 4.33819770 0.01737138 -0.01766295 -0.00815341 -0.00988324 0.02353675 0.06411064 -0.02364144 0.00437747 0.00562359 +C 4.07889225 7.46430395 6.91759097 0.00322440 0.00034346 -0.00123436 -0.00548363 0.03609829 0.02107535 -0.00303795 0.01120804 0.00803205 +H 1.97272305 7.52678100 7.50798332 -0.01172969 -0.01085627 -0.02324539 -0.02323791 0.04108754 -0.04448844 0.02533288 0.00823957 -0.00246238 +C 5.01987995 6.92472175 6.09040096 -0.01530066 0.00390241 -0.00232188 -0.07181997 0.00374702 -0.03752283 -0.00091412 0.00059568 -0.00539215 +H 4.33733186 8.18615968 7.61122530 -0.00255648 0.00327682 -0.00740693 0.05467053 0.10209048 0.03510138 0.00587453 0.00068559 -0.00609542 +C 4.60819208 5.92965526 5.16040099 0.00144242 0.00153297 0.00827268 -0.00097556 0.01272468 0.04204674 -0.00487205 -0.00002551 0.00207450 +N 6.30096974 7.32263003 6.23211754 -0.00359830 0.00123009 -0.00479871 -0.02759339 0.01905629 -0.01949790 -0.00486480 0.00327981 -0.00140822 +C 3.26547603 5.54546787 5.08415292 -0.00041130 0.00300702 -0.00434302 0.00789975 0.01642484 -0.01860888 0.00429300 0.00315893 0.00081754 +H 5.36604315 5.52525663 4.46179531 -0.00356508 0.00111505 0.00999370 -0.09279654 -0.06473344 0.06619636 -0.00011681 -0.02286535 -0.00186984 +C 7.42390058 6.89601706 5.68772676 -0.00136645 -0.00132163 0.00212635 0.00788014 -0.00734301 0.01717209 0.00206137 -0.00033626 0.00283004 +H 6.43676933 8.01745995 6.94859485 -0.01009890 -0.00047424 0.00312721 -0.04757278 0.00939413 -0.01766878 -0.00241448 0.00727661 -0.00463176 +O 7.53326326 5.98694287 4.86674846 -0.00940009 -0.00264493 0.00013510 -0.05721703 -0.01369095 0.00359130 -0.00656294 -0.00105865 0.00113631 +C 8.66376842 7.62886499 6.22589626 -0.00018041 0.00031305 0.00625926 0.03479312 -0.00850902 0.01532446 0.00572158 -0.00179251 -0.00196206 +H 9.48438630 7.71923354 5.50178986 0.00324666 0.00572421 -0.03517991 -0.22955591 0.02723217 -0.15010182 -0.04414652 0.00444832 -0.01200671 +H 8.49661706 8.63452127 6.54058630 0.01168103 0.00075595 0.00741884 0.02142561 0.00864293 0.10963864 0.00072603 -0.01968860 0.01856142 +H 9.30535033 7.10792430 6.96578214 0.01014461 -0.02712474 -0.01428355 -0.10468185 -0.16915531 -0.05518258 -0.02057648 -0.02136258 0.00466676 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03186557 5.72287722 5.97945522 -0.00082758 -0.00746286 -0.00303694 -0.01654173 -0.04655238 -0.02272132 -0.00327794 -0.00451476 -0.00304870 +C 2.31639172 6.12914121 5.86316766 -0.00974666 0.01116377 0.00302406 -0.03669752 0.04445953 0.00481090 0.00009060 -0.00133533 -0.00238981 +H 0.83294344 4.82182338 5.65119224 0.02381352 -0.01157880 0.01245894 0.19140625 -0.08702821 0.09676036 0.02364386 -0.02811154 0.01015772 +C 2.64410711 7.49185736 6.15486418 0.00013664 -0.00414493 -0.00116813 0.00798989 -0.01463941 0.01040563 0.00249012 0.00192820 0.00425559 +H 3.03861622 4.18933679 5.29361513 0.00407546 -0.00332494 -0.00644293 0.05530581 -0.02243363 -0.01100656 0.01447263 0.02607482 0.00956307 +C 3.97270996 7.91496943 6.24877338 0.00359553 0.00770932 -0.00117292 0.01384658 -0.00947143 -0.02989728 0.00081812 -0.00567731 -0.00493932 +H 1.88806029 8.21711922 6.47724491 0.03790087 0.00441890 0.00961768 0.08102446 0.02994399 0.03408395 -0.02066618 0.00467527 0.00145811 +C 4.95579710 6.93670846 5.92537966 0.00067892 -0.00225107 0.00090107 0.02853927 0.00871790 0.01450056 0.00572684 0.00351962 0.00252242 +H 4.23379096 8.88017772 6.54896932 -0.01083405 -0.02173974 0.01026074 -0.03152718 0.07722424 0.08640387 -0.00618127 -0.00713744 -0.00713785 +C 4.66644232 5.55470308 5.62372241 -0.00163164 0.00048788 -0.00095057 -0.00548397 0.01942160 0.00092243 0.00235723 0.00486103 0.00146264 +N 6.26018185 7.49014680 6.02836348 -0.00396076 0.00318586 0.00234470 -0.00788569 -0.00783627 0.01328131 0.00136268 -0.00350463 0.00211339 +C 3.31372737 5.16576418 5.52936379 0.00360245 0.00346151 -0.00207896 -0.00237833 0.05043177 -0.00189633 -0.00561228 0.00835289 0.00103025 +H 5.37794179 4.79792405 5.52519563 0.01827221 -0.01167737 0.01817119 0.05838610 0.03388260 0.03780964 -0.01833943 0.02906179 -0.00777023 +C 7.48380968 6.84565997 5.89513816 -0.00337727 0.00198357 0.00749416 -0.02833545 0.01622788 0.03566224 -0.00261713 -0.00064523 0.00115345 +H 6.32389919 8.48040897 6.15868847 -0.01681271 0.00233955 -0.00134999 -0.09374868 0.00351563 0.04467372 -0.00449564 -0.01130558 0.01176588 +O 7.59845935 5.71052950 5.46418154 0.00403676 -0.00385507 -0.00074646 0.02736556 -0.01919214 0.00399657 0.00314173 0.00005222 0.00264294 +C 8.76286530 7.67958591 6.19276584 0.00138155 -0.00421158 -0.00145541 -0.00754241 -0.01608668 -0.02824825 -0.00503578 0.00243233 -0.00470585 +H 9.56362204 7.19340502 6.80490716 0.00715825 0.00622972 -0.04131143 0.03708444 -0.08762881 -0.19311277 0.00695616 -0.03176611 -0.00707768 +H 9.24801615 8.04356376 5.29012984 0.00794006 -0.00588934 -0.02767631 -0.08803323 -0.07558741 -0.06212766 -0.02904099 -0.01116104 0.00101625 +H 8.40022267 8.47032143 6.75377038 -0.00353853 0.00740614 -0.00099155 0.08608961 0.10012176 0.00456810 0.03811376 -0.01090224 -0.01571072 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.06356880 5.76697337 5.64998664 0.00838390 -0.00361886 0.00086754 0.04283485 -0.02949548 0.00014902 0.00363079 -0.00493742 -0.00091851 +C 2.33829555 6.13871870 5.83406375 -0.00082954 0.00890454 0.00466203 0.01749381 0.03385590 0.02620709 0.00517615 -0.00244563 0.00189597 +H 0.99480791 4.98503164 5.17973926 0.01123362 -0.01553464 -0.00176625 0.07765979 -0.06201742 0.03731462 0.01206702 0.00516023 0.01648079 +C 2.62722503 7.50202426 6.11896767 -0.00238663 -0.00074254 -0.00187299 -0.02484071 -0.01279844 -0.01070890 -0.00375818 -0.00135053 -0.00050378 +H 3.31850426 4.13418310 5.51835975 -0.01064575 -0.00306496 0.01177008 -0.21791789 -0.01882226 0.07723979 -0.03432623 0.01708269 0.01150287 +C 3.97263397 7.85961235 6.32492631 -0.01188300 0.00256029 0.00018382 -0.06710197 0.01217196 -0.01198851 -0.00302275 0.00107802 -0.00363146 +H 1.77875097 8.20765181 6.12259707 0.00449645 0.00271158 0.00355631 0.06850532 0.03405905 0.05288664 -0.00334708 0.01286177 0.00852552 +C 4.99288119 6.90961355 6.19108218 0.00554186 0.00465377 -0.00433476 0.03817223 0.04547407 -0.01894024 -0.00093789 0.00681872 -0.00111737 +H 4.17892757 8.91134341 6.48449545 -0.01810497 -0.00939864 -0.01202924 -0.08439728 0.03178175 -0.03701138 -0.00889437 0.01214214 0.00209825 +C 4.71586726 5.53047630 6.00580842 -0.00137992 0.00708593 -0.00018575 -0.02360394 0.04892166 -0.00998303 -0.00339881 0.00621215 -0.00320140 +N 6.31539130 7.44744934 6.25162077 -0.00052751 -0.00619370 0.00363645 -0.01423590 -0.06526828 0.02184177 -0.00152786 -0.00875675 0.00348447 +C 3.37873281 5.17136364 5.74898997 -0.00085883 -0.00239911 -0.00107197 -0.00348423 0.00362465 0.00598333 -0.00224222 0.00315210 0.00301520 +H 5.43190220 4.72606098 6.01014281 -0.01223249 -0.00676790 -0.01066674 -0.00755098 0.06410536 -0.08967096 0.00707544 0.02497537 -0.01095204 +C 7.43644264 6.81717330 5.84980539 -0.00556867 0.00172998 0.00085869 -0.02371757 0.02085230 -0.02419645 0.00033798 0.00281593 -0.00828852 +H 6.42383303 8.44292862 6.40703437 0.01194327 -0.02781593 0.01279536 0.04775216 -0.09420307 0.18985474 -0.00354299 -0.01251580 0.03578360 +O 7.51675094 5.79895446 5.17245065 0.00723905 0.00385774 0.00030640 0.04143293 0.01787150 0.00876076 0.00413294 0.00100920 0.00187401 +C 8.65100499 7.66714610 5.99031293 0.00122438 -0.00562469 -0.00684782 0.00876105 -0.03534294 -0.02544126 0.00086071 -0.00598649 0.00457755 +H 8.77413247 7.77869914 6.99885806 -0.03481817 -0.03035543 0.02562705 -0.12602161 -0.08136237 0.06780225 0.00322260 0.00372931 -0.04427745 +H 9.57294243 7.22064176 5.60075159 -0.00433991 -0.01129885 0.00381052 -0.02384567 -0.13015341 0.00565524 -0.00153554 -0.02143351 -0.00112648 +H 8.49056295 8.63457700 5.42192505 0.00415289 -0.00885459 0.00031764 0.05938372 -0.04319828 0.07399342 0.01051661 0.01936578 0.00481346 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98998086 5.86120280 5.63472112 -0.00210370 0.00211959 0.00176244 -0.00794046 -0.00189534 0.01288754 0.00064834 0.00020086 0.00195998 +C 2.28659363 6.09268079 5.84987234 0.00586333 -0.00266445 0.00024076 0.06760764 0.01481222 0.02284682 0.00714010 0.00470853 0.00508037 +H 0.50374810 6.65367764 5.64222577 0.01684512 -0.01094726 -0.02211117 -0.00201178 0.03744535 -0.15515579 0.00562938 -0.01805174 -0.01771550 +C 2.69123003 7.41067195 6.28346188 -0.00234444 0.00081370 0.00132402 -0.03123157 -0.00423590 -0.01509362 -0.00719207 -0.00045811 -0.00497777 +H 2.97664985 4.09068258 5.68322553 0.02192062 0.01053733 0.00817435 0.14046293 -0.04239163 -0.00297409 0.01186259 -0.01412149 -0.00988261 +C 4.05939765 7.79492770 6.31607210 -0.00697598 -0.00188482 -0.00312234 -0.07430921 -0.01207485 -0.02078782 -0.01035277 -0.00020472 -0.00159921 +H 1.95228097 8.14432444 6.43429942 -0.02030477 0.00863488 0.00085847 -0.05103618 0.00088525 0.01001249 0.01236017 -0.01741871 -0.00023768 +C 5.01488724 6.82585824 6.04714587 -0.00389850 0.00598126 -0.00112733 0.01408832 0.00173400 0.01286770 0.00531791 -0.00317633 0.00471003 +H 4.29615283 8.80662573 6.49506494 -0.02011565 0.00409295 0.02024186 -0.09603052 -0.00887918 0.12743603 -0.01096508 -0.02214661 0.00665171 +C 4.70485578 5.39994931 5.90388255 0.00325923 -0.00340441 -0.00127144 0.01521442 0.04228007 0.00058763 0.00189942 0.01270740 0.00035943 +N 6.31968395 7.27518540 6.32465751 0.00390926 -0.00006039 -0.00325767 -0.00429360 0.01054590 -0.01751036 -0.00479594 0.00122133 -0.00300396 +C 3.32783143 5.10940427 5.78476489 0.00410458 0.00227274 0.00286830 0.01617465 0.00348073 0.01565111 0.00291673 -0.00184907 0.00179586 +H 5.46107670 4.65254969 6.05092838 0.01731350 0.00697956 -0.01751171 0.05964012 0.03768287 -0.22538003 -0.01181260 0.01374471 -0.03879090 +C 7.44852247 6.92153401 5.76391836 -0.00157419 0.00689931 0.00423393 0.00085735 0.00890027 -0.00701875 0.00152240 -0.00487820 -0.00677715 +H 6.42353501 8.12484749 6.93311523 0.00362328 -0.00417352 -0.00255002 -0.01717192 -0.06181560 -0.01289309 -0.00471248 0.01687252 0.02008670 +O 7.55175932 6.05870979 4.88359288 -0.00099874 -0.00349651 -0.00215293 -0.00787692 -0.01154473 -0.00078553 -0.00120033 0.00050068 0.00211743 +C 8.65863809 7.67824271 6.22865778 -0.00343615 -0.00446627 -0.00144174 0.00481063 -0.02519693 0.00357559 0.00303385 -0.00383888 0.00285998 +H 9.45448566 6.94830776 6.54046011 -0.00599336 -0.00430728 0.01327269 -0.08221190 -0.00960053 0.00709897 0.00249912 -0.02136657 -0.00343313 +H 9.01171404 8.32279962 5.35130669 0.01293459 -0.01238063 0.02369062 0.13283962 -0.09439900 0.11553205 0.03273471 0.00533807 -0.01618469 +H 8.52602013 8.39284379 7.08157988 0.02829946 -0.01800771 0.00709454 0.06880088 -0.14604101 0.03708068 -0.01325678 -0.00682991 0.01923554 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00733450 5.63292276 5.81861968 0.00782049 0.00293943 0.00107275 0.05779090 0.01439466 0.00203139 0.00668329 0.00367279 0.00088772 +C 2.29046188 6.12029066 5.85340021 -0.00262169 0.00697341 -0.00058073 -0.00755685 0.05899127 0.01208209 0.00237128 0.00620319 0.00119695 +H 1.11806639 4.76187202 5.39372128 0.00560846 -0.01356625 0.00579831 -0.08201775 0.01062238 0.09400699 -0.01864655 -0.02135250 0.00278616 +C 2.67674894 7.18148552 6.74410189 -0.00827270 0.00037776 -0.00066623 -0.05059395 0.00544555 -0.00117688 -0.00939961 0.00563017 0.00404973 +H 3.01220275 4.69413152 4.46463246 0.02037552 0.01593969 0.00657831 0.13060593 0.02236154 -0.07049493 0.00720956 -0.01208376 -0.02361661 +C 4.03199058 7.55344843 6.94855776 -0.00577908 -0.00277680 -0.00320174 -0.04907514 -0.01744397 -0.03471330 -0.00753342 -0.00156689 -0.00445341 +H 1.99474213 7.67494773 7.27817977 0.00546186 0.01217726 -0.00270896 -0.13364021 0.09382128 0.06786509 0.00423068 -0.02283440 -0.01524172 +C 4.98761988 6.93784171 6.12808653 -0.00510809 -0.00672699 0.00554799 0.02851531 -0.01884578 0.05239957 0.01063787 -0.00018045 0.00712023 +H 4.35719847 8.37394549 7.55853199 -0.01097453 -0.00817754 0.01220826 -0.14468262 -0.09256432 0.10826383 -0.02658251 -0.01951009 0.00824545 +C 4.60913547 5.97797885 5.22726960 0.00794119 0.00020478 0.00075627 0.02795811 -0.02380650 -0.00773508 0.00256459 -0.00577597 -0.00287725 +N 6.35824768 7.37005438 6.23326392 0.00544894 -0.00024424 -0.00211357 -0.00497039 0.00590375 -0.01781199 -0.00586963 0.00375015 -0.00133184 +C 3.29153454 5.54749207 5.10503566 0.00189419 -0.00417531 0.00274161 0.01415436 -0.02682728 0.02207283 0.00254939 -0.00198046 0.00378814 +H 5.26144395 5.41004197 4.61108134 -0.00227688 0.03336369 -0.00021951 0.16604126 0.17061801 -0.10247981 0.01664233 0.01880603 -0.01091011 +C 7.47808682 6.87956193 5.71396306 -0.00500719 -0.00326438 -0.00086022 -0.02271624 -0.02387073 0.01559085 -0.00011493 -0.00243242 0.00485849 +H 6.51572820 8.24172543 6.65286689 0.02515736 -0.00151165 -0.01130321 0.07994395 0.02683343 -0.01225584 -0.01213026 -0.01232033 -0.00254239 +O 7.54020165 5.71356257 5.32945522 -0.00016324 0.00329005 -0.00296306 0.00830134 0.01985386 -0.03056853 0.00243594 0.00150365 -0.00580527 +C 8.70628134 7.77532348 5.92535082 -0.00150669 -0.00259374 -0.00256811 -0.01260474 -0.02961585 -0.00649851 -0.00225030 -0.00699237 -0.00283309 +H 8.48926471 8.88842417 5.94574318 0.00239286 -0.01187954 -0.00818614 -0.03267241 -0.09907144 -0.02741391 -0.01858751 0.01182177 -0.00304980 +H 9.28940362 7.43135940 6.82847281 -0.01273537 0.01387468 0.02623598 -0.17259303 0.15469448 0.04104121 -0.01616130 0.01668143 0.01192442 +H 9.35857921 7.62543597 5.08733237 -0.01029924 0.00706419 0.01704194 0.06602686 -0.00767281 -0.01795175 0.01485033 -0.00893617 -0.00031958 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00944431 5.77651263 5.86610824 -0.00174383 0.00231308 0.00112716 -0.01189153 0.01032539 0.00880857 -0.00184350 0.00126513 0.00169359 +C 2.34645292 5.92606728 5.84011575 0.00046265 -0.00346031 -0.00126343 0.00986572 -0.01238618 -0.00297633 0.00147310 -0.00010403 0.00005167 +H 0.61765911 6.65252617 5.81332169 0.00082365 -0.01695324 0.02670039 -0.09860930 -0.02158056 0.19205851 -0.01646957 -0.00338231 0.02548298 +C 3.17029818 4.80316144 5.82677382 0.00037882 -0.00090973 -0.00073707 0.02620579 -0.01876835 0.00135600 0.00648205 -0.00132050 0.00124730 +H 2.32173074 8.11711775 5.94675194 0.03109759 -0.00344363 0.01880394 0.07346680 0.01017203 0.12144141 -0.01411017 0.00623256 0.00980105 +C 4.59161048 4.98092945 5.78959090 -0.00257199 -0.00263850 0.00073164 -0.02791345 -0.00028927 -0.01241743 -0.00382373 0.00137715 -0.00407990 +H 2.73601165 3.76491441 5.86477888 0.03302018 -0.01130754 0.02960144 0.17358985 0.01583769 0.11624959 -0.00239949 -0.01660599 0.00256719 +C 5.16767952 6.29743138 5.75139396 -0.00922822 -0.00107916 0.00795355 -0.04894763 -0.01323331 0.05704849 -0.00056957 -0.00337885 0.00694347 +H 5.22162640 4.11747008 5.63892636 -0.01755922 0.00291992 -0.02213031 -0.05268522 -0.03352715 -0.03133333 0.00092226 -0.00363369 0.01503833 +C 4.27359385 7.42961287 5.81768629 0.00706332 -0.00052549 -0.00581761 0.06072750 -0.02120858 -0.02857062 0.00699987 -0.00396314 -0.00158325 +N 6.55478150 6.42214393 5.76406748 -0.00069187 0.00308221 -0.00357731 -0.02170557 0.03358508 -0.02381622 -0.00667702 0.00552778 -0.00303386 +C 2.93243809 7.20989777 5.90281904 0.00466706 -0.00068791 -0.00557741 0.00921587 -0.00521447 -0.04439560 0.00038231 -0.00020975 -0.00635858 +H 4.54155119 8.47411544 5.87864256 0.02608030 -0.01431307 0.01572796 0.24728878 -0.08164165 0.04323145 0.02689318 -0.01266397 -0.00692148 +C 7.30864947 7.51294739 5.99748336 -0.00481969 0.00238863 -0.00948154 -0.02157995 0.03105922 -0.03957273 -0.00017569 0.00568791 -0.00157828 +H 7.14320615 5.59305627 5.68792304 0.00441986 0.02227840 0.00225413 -0.02087049 0.02868604 -0.04275737 -0.01170047 -0.01023613 -0.01409033 +O 6.94671588 8.64738745 6.37245669 0.00321772 0.00485648 0.00342906 0.01781131 0.01738090 0.01245502 0.00183894 0.00041201 0.00010990 +C 8.78255512 7.22834446 5.92508977 -0.00339639 -0.00196696 0.00301220 -0.01564878 -0.01800683 0.00891347 -0.00277251 -0.00208837 0.00164382 +H 9.07459919 6.38435936 6.60125687 0.00887045 -0.00177479 -0.00824185 -0.00610024 -0.04580331 -0.12025472 -0.01071410 -0.02992777 -0.01396372 +H 8.99367805 7.01705872 4.84214813 0.00751659 0.00380029 -0.00843458 0.11394844 0.06113754 0.10360409 0.03297101 0.01601786 0.00628322 +H 9.40438693 8.11363164 6.21921073 -0.01934361 -0.03202736 0.05632529 -0.12615568 -0.14804956 0.33347473 -0.00781374 -0.00157563 0.03358752 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96575053 5.79464199 6.02490183 0.00370129 0.00234611 -0.00065702 0.02258809 0.01912718 -0.02322910 0.00296850 0.00178104 -0.00387769 +C 2.34327232 5.89651136 5.88803023 -0.00367086 0.00265188 0.00044320 -0.02297927 0.03553159 0.02853577 -0.00209049 0.00758583 0.00496331 +H 0.44096221 6.22806531 5.35186722 0.00156771 0.01316428 -0.02305477 0.12350419 0.00768337 -0.04309400 0.00934914 0.00844385 -0.02013893 +C 3.07962803 5.55971150 7.08404872 -0.00357195 -0.00174160 -0.01134113 -0.02709904 -0.03459859 -0.07153661 0.00161590 -0.00582218 -0.00813509 +H 2.41421067 7.08029526 4.01971774 0.00738536 -0.01657776 -0.00288042 0.02633875 -0.16787457 -0.05250768 -0.00496241 -0.02222945 -0.01702673 +C 4.44782393 5.83500170 7.21721645 0.00420032 0.00374673 0.00836822 0.00919400 0.03281720 0.01347077 -0.00468728 0.00376635 -0.00337954 +H 2.49024880 4.97982602 7.83388939 -0.00537525 -0.03605362 -0.00495395 0.11674380 -0.05088381 -0.11308656 0.01030396 -0.00139207 0.00081647 +C 5.08225676 6.50758690 6.09814158 0.00311318 0.00155727 -0.00431323 0.00423115 -0.02114962 0.01611704 -0.00073879 -0.00625017 0.00803042 +H 5.00176137 5.49076141 8.05420047 -0.00775771 -0.00421373 0.03336667 -0.09776564 0.06002173 0.11526433 -0.01909504 0.02491311 -0.01541297 +C 4.39261496 6.82832390 4.91166580 -0.00984606 -0.00351097 0.00417927 -0.06699187 -0.00990274 0.02128459 -0.00546680 0.00185152 0.00147975 +N 6.40254731 6.68374194 6.31298857 0.00436436 -0.00081504 0.00423703 0.04777737 -0.00107060 0.02877223 0.00921777 -0.00028502 0.00527803 +C 2.97407572 6.61594592 4.84599893 -0.00095560 -0.00168715 0.00026196 -0.00350079 -0.01787312 0.00981748 -0.00220980 -0.00446114 0.00324829 +H 4.90665642 7.27613379 4.11731275 -0.01732366 0.01669217 -0.01190724 -0.15443700 0.07846942 -0.01320204 -0.02773035 -0.00536226 0.02047398 +C 7.37709330 7.31250309 5.66417012 0.00077322 -0.00214100 0.00291918 0.02815700 0.00412502 0.00148220 0.00637739 0.00291135 -0.00287071 +H 6.68057550 6.33614843 7.19173766 0.02301499 0.00730438 -0.01147426 0.16814209 -0.02451249 0.02548826 0.00874586 -0.00477917 -0.00585463 +O 7.24894743 7.94254869 4.62494665 -0.00606210 -0.00037954 0.00033901 -0.04701373 -0.00656874 0.00092481 -0.00700034 -0.00149258 0.00010196 +C 8.77531913 7.34846628 6.31295786 0.00525541 -0.00004608 -0.00150187 0.03357027 -0.00988740 -0.01578331 0.00385458 -0.00084843 -0.00209169 +H 8.97333799 8.32979990 6.72650963 -0.00876923 0.00094305 -0.01714809 -0.02245539 0.05096469 -0.09058695 0.00152540 0.00287690 -0.00976042 +H 8.77085745 6.62224454 7.14468104 0.00284347 0.01473039 -0.01888061 0.03154903 0.04669918 0.03234680 0.00683491 -0.00134297 0.02748666 +H 9.61255039 7.00858133 5.69320596 0.03727007 -0.00192475 0.01483250 0.07334752 0.06446846 0.05320734 -0.00920583 0.01334995 -0.00882991 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04308007 5.56678432 5.74874491 0.00021196 -0.00204600 -0.00038446 0.00326305 -0.01325651 0.00236790 0.00155137 -0.00045655 -0.00152087 +C 2.35007763 6.04472442 5.78059632 0.00080776 -0.00499959 0.00056336 0.00531690 -0.04639827 -0.01016920 0.00150550 -0.00706931 -0.00160369 +H 0.69071923 5.05950634 6.48807668 -0.03616893 -0.01289684 0.00130610 -0.07271187 0.04638596 -0.05751130 -0.00091276 0.00301990 0.01907107 +C 3.00191540 6.21082345 4.52403042 0.00553800 -0.00091781 -0.00130213 0.00895363 0.00220903 0.01743405 -0.00437032 0.00179380 0.00443606 +H 2.57452689 6.07150139 7.90967200 0.01639068 -0.02765825 -0.01471144 0.07890126 -0.14445453 0.02736168 0.00848502 -0.00225001 0.00799037 +C 4.33515129 6.54525902 4.46477584 0.00144395 0.00386667 -0.00327453 0.00447251 0.01143578 -0.01548766 0.00023710 -0.00051807 -0.00094123 +H 2.47378650 6.13546633 3.58245081 -0.00339151 0.03698892 0.02764201 -0.10898947 0.13450425 0.05916321 -0.01444597 -0.00176504 -0.00189796 +C 5.04757336 6.71539109 5.66547200 -0.00045965 -0.01030629 -0.00069407 0.02558389 -0.03136192 -0.02683694 0.00560321 0.00132341 -0.00498830 +H 4.72794331 6.57615432 3.45122178 -0.01410911 -0.00340482 -0.00335308 0.03206835 0.07705352 0.00040325 0.01955083 0.02394225 0.00160295 +C 4.40940440 6.64610944 6.92352959 0.00263601 0.00751669 0.00498544 0.01196351 0.03208253 0.01482223 0.00121924 0.00124306 -0.00303665 +N 6.36740978 7.16034194 5.39048744 -0.00159335 -0.00136456 -0.00200293 -0.01397620 -0.02268775 -0.01058756 -0.00111779 -0.00483353 0.00040534 +C 3.08233197 6.21553769 6.97261516 0.00050563 0.01055538 0.00194082 -0.01105627 0.06616282 0.00204818 -0.00364556 0.00642530 -0.00041135 +H 4.89914120 6.81174528 7.90304200 -0.00294715 -0.01756899 -0.01691540 0.08582584 -0.05269984 -0.02131669 0.02360902 0.00399243 0.01573880 +C 7.40474196 7.15133709 6.22968899 0.00086897 -0.00851662 0.00490001 -0.00761378 -0.04842838 0.00491733 -0.00359625 -0.00462564 -0.00472130 +H 6.54993333 7.33052451 4.40548158 -0.01585791 0.04332623 -0.00773200 -0.05959982 0.24225320 0.08938400 0.00123189 0.02442828 0.01819263 +O 7.19766992 7.00790493 7.41943551 -0.00125949 0.00334432 -0.00324244 0.00616523 0.01918133 -0.00142650 0.00293483 0.00186698 0.00333407 +C 8.83236786 7.31268503 5.66500073 -0.00417427 0.00109599 0.00122709 -0.03264719 -0.00084474 0.00405040 -0.00487094 0.00051529 0.00080297 +H 8.89355733 7.11542687 4.59729083 0.00013981 0.01357908 -0.02964514 -0.02647029 0.11175421 0.01641171 -0.00578861 0.01491708 0.02243337 +H 9.16219592 8.33420326 5.85595429 0.01175577 -0.01583979 0.02036992 0.08598716 -0.06920407 0.13908117 0.00409027 -0.00612005 0.01495652 +H 9.47838277 6.57321215 6.18706321 -0.00243731 0.00215245 0.00898942 -0.02970812 0.05607479 -0.01091553 0.00285606 -0.00451636 -0.00782007 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97749909 5.70465883 5.66785147 -0.00891746 0.00231686 -0.00251755 -0.05258749 0.01677291 -0.01590637 -0.00496217 0.00229478 -0.00172444 +C 2.27039339 6.12613441 5.83427375 0.00099120 -0.00168915 0.00276483 -0.00453473 -0.02074402 0.01116551 -0.00210636 -0.00347290 0.00000963 +H 0.83315375 4.80016148 5.73665809 -0.01072934 -0.01265961 -0.02131386 -0.03274737 0.01024844 -0.15161180 0.00035911 0.01901623 -0.02242889 +C 2.60167175 7.46726579 5.95193580 0.00845072 -0.00279947 0.00052759 0.03450150 0.00104781 -0.00794548 0.00047580 0.00288927 -0.00185620 +H 3.18126147 4.12812879 5.68660438 0.00060226 -0.00939544 0.00674287 -0.04066382 0.03665512 0.07017060 -0.01205665 -0.00844887 0.00644877 +C 3.90670499 7.90750169 6.08485216 -0.00018336 0.00133277 -0.00101969 0.04639454 0.01605737 0.00622513 0.01057117 0.00035912 0.00171142 +H 1.89775437 8.24867068 5.74345101 0.01575001 -0.00472491 0.01011874 -0.04638346 -0.02015444 0.15972108 -0.01756216 -0.00623687 0.02950895 +C 4.99224777 6.98486658 6.12179205 -0.00137098 0.00083255 0.00424857 -0.01398798 -0.00166769 0.01961492 -0.00037835 -0.00297302 0.00122103 +H 4.15495116 8.98784064 6.23520888 0.01972470 0.00313258 -0.00776389 0.02491831 -0.03930117 -0.14040371 -0.00293396 0.01959914 -0.02410820 +C 4.63423229 5.64775865 6.00934554 0.00025205 -0.00171739 0.00594243 0.00910929 -0.03418073 0.04764865 0.00137593 -0.00490057 0.00663934 +N 6.32176409 7.41845726 6.10973772 -0.00226045 -0.00813225 -0.00409986 0.01007529 -0.02875859 -0.04263680 0.00411756 0.00014773 -0.00748302 +C 3.31623988 5.21607734 5.82929031 0.00389839 0.00011381 -0.00190160 0.02259287 -0.02255487 -0.00695457 0.00126711 -0.00417461 0.00082485 +H 5.34537189 4.80071499 6.16041184 -0.00788832 -0.00101446 -0.00374306 0.05364715 0.05595814 -0.10434369 0.03445669 -0.00423112 -0.01821090 +C 7.53064202 6.83267710 5.83737364 0.00530446 -0.00383935 -0.00800137 0.00527371 -0.00891212 -0.02861022 -0.00410869 0.00334165 0.00024596 +H 6.42818938 8.40045038 6.02434000 0.01236708 0.00836769 0.00281367 0.01462135 -0.03526083 0.10891455 -0.00667758 -0.01383282 0.02475767 +O 7.66130344 5.61067638 5.70345324 -0.00719014 0.00497408 0.00345871 -0.04147811 0.02621017 0.01801777 -0.00394418 0.00100101 0.00140838 +C 8.77572582 7.76011024 5.87395545 0.00301414 0.00359264 -0.00375568 -0.00996699 0.03072123 0.00279478 -0.00359041 0.00211370 0.00063710 +H 8.70969885 8.54124649 5.08278444 0.00540810 0.01354995 0.02693579 0.01338440 0.11589335 0.12939250 -0.00464165 0.02389537 0.00102028 +H 8.76539364 8.26193477 6.90725791 0.02159619 0.01506188 0.02955739 0.18965198 -0.08011758 -0.11963317 0.02376408 -0.01203989 -0.00371663 +H 9.64520837 7.12654244 5.63592612 -0.01232289 0.03469607 0.01292338 0.11152575 0.15287912 0.08319464 0.02765783 0.00914885 0.00332589 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92666292 5.98267674 5.87457467 0.00876148 -0.00331741 -0.00349724 0.05299769 -0.02912708 -0.01950296 0.00442568 -0.00295741 -0.00406450 +C 2.28427038 5.99344063 5.90654879 -0.00243422 0.00984052 -0.00059877 0.01586852 0.06973593 -0.00465887 0.00664899 0.00853902 0.00158556 +H 0.58842169 6.60289109 5.27407674 0.01341003 -0.01263176 0.01500363 0.00901656 0.00462164 -0.02139273 0.00528826 -0.01586724 0.00685569 +C 2.98001733 5.57967649 7.05620861 -0.00381712 0.00402770 -0.00008112 -0.02129956 0.01995479 0.00267661 -0.00210758 0.00040831 0.00245282 +H 2.63141964 6.89781212 3.96430846 -0.01643020 0.00818962 -0.00556941 -0.07960171 -0.03350700 -0.03286781 0.01058118 -0.02612484 0.02195716 +C 4.38837655 5.66462461 7.22486904 0.00281743 -0.00392558 0.00132086 0.00402380 -0.03096338 0.00475779 -0.00192844 -0.00455190 0.00133078 +H 2.38002626 5.16910540 7.81365699 -0.00301351 -0.00284462 -0.00842762 -0.02804691 -0.06197203 0.02591094 0.00775810 0.00031584 -0.00448725 +C 5.18639903 6.34356920 6.26149275 0.00006430 -0.00152589 0.00208591 -0.01172106 -0.02050053 -0.00872431 -0.00304310 -0.00482427 -0.00334548 +H 4.75722011 5.09822119 8.03405765 -0.01276137 -0.00936302 0.01650713 0.02119984 0.10489749 0.12201291 0.01095315 0.04181032 -0.00083536 +C 4.45812988 6.61834873 5.02974496 -0.00092055 -0.00580510 0.00184303 0.00472674 -0.02095285 0.02578100 0.00118958 0.00202492 0.00137283 +N 6.59752170 6.60445609 6.41839061 0.00073094 0.00103370 -0.00157976 -0.03861957 0.00124339 -0.01341587 -0.00985986 -0.00139309 -0.00096962 +C 3.05387141 6.48199902 4.81188029 -0.00321952 0.00126212 0.00087009 -0.00852829 0.01729689 0.02654512 0.00086670 0.00484903 0.00335463 +H 5.08166337 7.05916241 4.31150415 -0.01798561 0.01538033 0.01681953 -0.15952080 0.10429281 -0.09556163 -0.02874137 -0.00324097 -0.01480431 +C 7.34799099 7.47291349 5.70247166 -0.00727688 -0.00125506 -0.00412392 -0.00533147 -0.03609751 -0.01332718 0.00584730 -0.00754687 -0.00043915 +H 7.03525264 6.07682057 7.12790323 -0.00420133 -0.00255177 0.00323644 0.00729074 0.04100482 0.01906123 -0.00496094 0.02061448 -0.00958450 +O 7.03425686 8.09783523 4.71055943 -0.00084529 -0.00186795 0.00109041 -0.01581580 -0.00134016 0.00130462 -0.00366036 0.00109465 -0.00051942 +C 8.82010679 7.40518958 6.08122934 0.00478400 0.00658772 -0.00080647 0.02423432 0.03411580 -0.00820387 0.00078891 0.00472553 0.00180251 +H 9.36240487 8.27893996 5.69782729 0.01586560 -0.00665363 0.02110589 0.12575151 -0.00158572 0.05335931 0.01447200 0.00639691 -0.00514353 +H 8.92290692 7.48591063 7.14961819 0.00877761 -0.02524552 -0.01705990 0.05213570 -0.16762475 0.03065986 0.00113892 -0.01452677 0.00492927 +H 9.28829145 6.43811616 5.69994801 -0.00027729 -0.00604238 0.01246531 -0.02523843 0.08785028 0.07802549 0.00992244 -0.00363338 -0.00934753 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97589507 5.76740972 5.83720983 -0.00228109 0.00095899 -0.00005254 -0.01238031 0.00779464 0.00188827 0.00029494 0.00163639 0.00060714 +C 2.28689161 6.09455449 5.92260542 0.00715123 0.00173980 -0.00109496 0.01636021 0.04093888 -0.00136136 -0.00451050 0.00750111 0.00033476 +H 0.66946097 4.87860020 5.57794088 0.01469001 0.00934590 0.00014280 0.17066277 -0.02370256 -0.02917822 0.02590520 -0.01714317 -0.00845290 +C 2.57714509 7.41661493 6.29609214 -0.00650060 0.00161570 -0.00014111 0.02456116 -0.00162135 -0.00462186 0.00953552 -0.00038092 -0.00086440 +H 3.13135468 4.33030091 5.26190649 0.01134178 -0.00221163 0.00502056 0.01779504 -0.10915190 0.00279851 -0.00452793 0.01045279 0.00909517 +C 3.99570464 7.77943456 6.28320891 0.00141177 -0.00497709 -0.00004324 -0.04328150 -0.00883986 0.00339731 -0.00731982 0.00416534 0.00131453 +H 1.81087888 8.13310689 6.61535288 0.01066278 -0.02306955 -0.01397524 -0.06035405 -0.02606865 -0.08976282 -0.01352216 0.01011391 -0.01143739 +C 5.02837064 6.92196001 5.94896847 0.00003928 -0.00314202 0.00220633 0.01137200 -0.00314946 0.03148595 0.00067932 0.00007897 0.00573116 +H 4.13366238 8.81435017 6.48563484 0.02951384 -0.01719299 -0.01258001 0.22189327 -0.03320727 0.00030250 0.00976324 -0.00831688 0.00922974 +C 4.70593811 5.62465487 5.64127076 -0.00126145 -0.00157195 0.00317723 0.00683410 -0.03409340 -0.00627780 -0.00223301 -0.00235076 -0.00206459 +N 6.31521122 7.46700241 6.09758551 -0.00055244 -0.00043724 -0.00534714 0.00167013 -0.01762925 -0.03869249 0.00212907 -0.00272905 -0.00476246 +C 3.35909495 5.27563873 5.57678233 -0.00567423 0.00390820 0.00465103 -0.02789356 -0.01963045 0.02242242 -0.00060925 -0.01236132 0.00050857 +H 5.48224998 4.88854854 5.26866963 0.03896776 -0.01206348 -0.02177644 -0.08458058 0.06986432 0.04854499 -0.00806105 -0.01720917 0.01019378 +C 7.48949996 6.83126830 5.87381994 0.00502583 0.00435769 -0.00184914 0.01801883 0.04904700 -0.02573933 -0.00137152 0.00486386 -0.00667328 +H 6.32056594 8.41821095 6.41568467 0.01120037 -0.00397541 0.00683496 0.10091164 -0.04384370 0.02712813 0.00976840 -0.01119059 -0.00165939 +O 7.58218411 5.71003777 5.40709895 -0.00347011 0.00111829 -0.00272889 -0.00859076 0.00996363 -0.01533216 0.00123121 0.00289288 -0.00132339 +C 8.73901353 7.73484227 6.10321675 -0.00257794 -0.00329060 0.00459329 -0.02712430 -0.02972546 0.03648311 -0.00190543 -0.00397861 0.00858438 +H 9.53986512 7.26693574 5.48907054 0.01522690 0.03450441 0.01397223 0.12141872 0.25546616 0.13252962 0.01624057 0.02127512 0.01596863 +H 8.54896196 8.82333513 5.91967274 -0.00038836 -0.00588287 -0.00683145 0.00046611 -0.10473016 -0.08581860 -0.00851130 -0.00198826 -0.01528339 +H 8.88280543 7.63121104 7.14255034 -0.00382366 0.00985948 0.01061880 0.07348246 0.06278003 0.07974381 0.01130028 0.00938052 -0.01198200 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02577256 5.56612629 5.69646024 0.00155843 0.00460709 -0.00547182 0.01319317 0.03253556 -0.01345948 0.00220279 0.00456360 0.00170426 +C 2.28572096 6.02204445 6.02920943 0.00580588 0.00178108 -0.00383426 0.02008774 0.00465377 -0.05424233 0.00089910 -0.00163803 -0.00677930 +H 0.65978982 5.73831532 4.80798889 -0.00387050 -0.00690810 0.00697418 0.03318060 0.00348057 -0.01767309 0.00935821 0.00892018 -0.01929360 +C 2.96086058 5.75865199 7.18693606 -0.00252791 -0.00505293 0.00617058 0.01119867 -0.02441534 0.06236416 0.00446086 -0.00073158 0.00739764 +H 2.51387082 6.84213036 4.01350836 0.01467296 -0.01598718 -0.00198636 0.03664672 -0.10086987 -0.03618899 -0.01118461 -0.00531350 -0.02424058 +C 4.34206177 6.04032806 7.28633403 0.00574857 -0.00370360 0.00596938 0.02594462 -0.02338862 0.03187270 0.00234588 -0.00239474 0.00365491 +H 2.54613124 5.36723532 8.10714096 0.01161426 0.01213255 0.02324296 -0.07068464 0.00289858 0.03298421 -0.02770487 -0.01220759 -0.01091290 +C 5.11609763 6.55464757 6.21277318 -0.00399899 0.00800601 0.00377456 -0.02042250 0.03892986 0.02011516 -0.00165966 0.00163926 0.00316660 +H 4.74338747 5.76177166 8.26206779 0.00317273 0.01193224 -0.01942033 0.18711400 0.06050964 0.00075197 0.03623692 0.00398879 0.01138088 +C 4.38220794 6.84413382 5.02167552 0.00224369 -0.00675487 0.00028123 0.01094358 -0.04064663 0.01682093 0.00244355 -0.00209867 0.00035912 +N 6.52910886 6.60668379 6.30997811 0.00217252 0.00004915 -0.00335898 -0.02283807 -0.01135951 -0.00561475 -0.00893550 -0.00259826 0.00190815 +C 3.00414671 6.61467209 4.98404996 -0.00123008 0.00059731 -0.00349135 0.00165736 0.00270900 -0.04045393 0.00340416 -0.00063208 -0.00691707 +H 4.77086405 7.16224030 4.11888594 0.00411331 0.00500293 0.01662782 0.16765555 0.07191571 0.03598103 0.01379111 -0.00662266 0.02778298 +C 7.41457820 7.29318905 5.60732778 -0.01166785 0.00970317 0.00269706 -0.04272044 0.05883535 0.04422397 0.00091647 0.00633608 0.00828575 +H 6.92653098 6.02238677 7.01209249 -0.00843206 -0.02567879 -0.00153364 -0.05140899 -0.05648657 -0.03580585 -0.00300440 0.00835570 -0.00737306 +O 7.14072975 7.92670071 4.61446310 -0.00550893 -0.00272219 -0.00191660 -0.03691656 -0.00700758 -0.02355185 -0.00480191 0.00064723 -0.00388034 +C 8.83320571 7.25476988 6.22002287 0.00541376 -0.00286012 0.00236133 0.02598166 -0.02621965 -0.02490244 0.00147612 -0.00377978 -0.00807221 +H 9.21893865 6.26539512 6.05877721 0.00685453 -0.00728619 -0.00433836 0.03781080 -0.05018505 0.00752339 -0.00139267 0.00139843 0.00434438 +H 9.48912027 7.88500067 5.65392128 0.00358173 -0.00604167 0.00100473 0.03320193 0.01394531 -0.03638396 -0.00168848 0.00129384 -0.00111236 +H 9.01382504 7.55668853 7.25021136 0.00334347 -0.01821387 -0.02259410 -0.06892011 -0.07883631 0.04940270 -0.01922526 -0.00709831 0.01439456 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95354813 5.87710460 5.75144172 -0.00710749 -0.00522425 -0.00802743 -0.05466759 -0.04289139 -0.02905038 -0.00712945 -0.00673485 -0.00108314 +C 2.28313202 6.01627663 5.95750582 -0.00443170 -0.00597366 0.00629331 -0.01339267 -0.03146337 0.02671473 0.00123548 -0.00189858 -0.00167029 +H 0.49454502 5.90210140 4.90103681 0.00308981 0.00106115 0.00869600 0.11400437 0.04544150 -0.11316671 0.02917173 0.00891287 -0.02187272 +C 2.88919618 5.86809524 7.23796156 0.00812318 0.00585319 0.00175240 0.05468660 0.04019920 -0.00066046 0.00273288 0.00438668 -0.00011163 +H 2.87531736 6.38705888 3.89287061 0.03215859 0.01923077 -0.00650926 -0.06606726 0.09123942 -0.09979691 -0.03493909 0.00221321 0.02563743 +C 4.32187366 6.10099960 7.35592650 -0.00021497 0.00496136 0.00775369 -0.00911940 0.03365177 0.05534057 0.00008695 0.00415684 0.00652446 +H 2.31861464 5.58922108 8.09024518 -0.00871618 0.00343670 -0.01216437 -0.03468500 0.03467968 -0.03540791 0.01255581 0.00919129 -0.00561882 +C 5.13995449 6.50667484 6.26125866 0.00169229 -0.00073396 -0.00168218 -0.01547706 -0.01737691 0.03185681 -0.00345517 -0.00322013 0.01015446 +H 4.70848141 6.01371034 8.36630851 0.00260861 -0.02943164 0.00925965 0.04503518 -0.12930539 -0.00902838 0.00887067 -0.00185586 -0.00345224 +C 4.48587319 6.49544960 5.02018295 -0.00018377 -0.00224693 0.00406653 0.01717102 -0.00946968 0.02179074 0.00340939 0.00053986 0.00172875 +N 6.45613640 6.84382423 6.53113171 0.00307201 0.00131135 -0.00255185 0.03974447 0.02287214 -0.04180409 0.00540510 0.00352573 -0.00628244 +C 3.11090172 6.30017668 4.88542031 -0.00290530 0.00519650 -0.00223674 0.00153726 0.03462177 -0.02060444 0.00125954 0.00417213 -0.00515520 +H 5.11614852 6.57322315 4.14123543 0.00804591 0.02290132 0.01678469 -0.04787744 0.20205203 0.03068700 -0.01636147 0.02850569 -0.00925133 +C 7.38471767 7.33250192 5.62115306 0.00448443 0.00040441 0.00012301 0.02276136 -0.00905577 -0.00002466 0.00174574 -0.00206275 -0.00223311 +H 6.77962204 6.88778664 7.46429372 0.00594260 0.00105305 0.00149102 0.00452482 -0.07409612 -0.00954281 -0.00331551 -0.01830280 -0.01947023 +O 7.16732698 7.59597022 4.42714130 0.00216917 0.00002728 -0.00090426 0.01672634 -0.00033758 0.00628490 0.00271894 -0.00011938 0.00263537 +C 8.85253575 7.42806618 6.10896983 -0.00483070 -0.00320371 -0.00178521 -0.03507421 -0.01421354 -0.01109319 -0.00587741 -0.00330014 -0.00022996 +H 9.43141348 8.23941672 5.56206410 0.00013512 0.00211856 0.00737487 -0.07759780 -0.01828005 0.12053477 -0.00384777 0.02184521 0.01158248 +H 8.98198968 7.54253861 7.19558096 -0.01306974 -0.02791263 -0.00257519 -0.12064950 -0.13547049 -0.01329115 -0.01567491 -0.01140386 0.00484229 +H 9.35493998 6.46882021 5.88112097 -0.01515717 0.02107965 -0.01534675 -0.04193599 0.03158993 -0.15988086 0.00488278 -0.01236101 -0.02706460 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99542600 5.67239640 5.80920887 -0.00386836 -0.00306848 0.00356973 -0.03488264 -0.02649764 0.03462577 -0.00385951 -0.00400629 0.00633923 +C 2.28413867 5.93010661 5.99856917 -0.00163293 0.00470905 0.00455962 0.01671262 0.04889404 0.02692599 0.00248748 0.00834939 0.00193304 +H 0.61179141 6.06087872 5.00394903 0.01522283 -0.01819800 0.00354361 0.07438775 -0.11384092 -0.04187569 0.00068971 -0.01416252 -0.01556398 +C 2.97005835 5.65378340 7.20488984 0.00302317 0.00022278 0.00099180 0.01246685 -0.01285396 -0.01132175 0.00207400 -0.00233256 -0.00603028 +H 2.42908103 6.92252811 4.12432470 0.00862925 -0.01773561 -0.01138671 0.02945047 -0.12507758 -0.13254247 0.00094934 -0.01684362 -0.01470835 +C 4.36986603 5.88223378 7.20771296 -0.00520581 0.00099482 -0.00225463 -0.01806667 0.01735042 -0.01956149 0.00107411 0.00338788 -0.00175323 +H 2.41391779 5.15233956 8.03574308 0.00971622 -0.02718080 -0.00899927 0.13577383 -0.09401010 -0.07254565 0.00993802 -0.01249555 0.01045270 +C 5.06697641 6.47783599 6.12141156 0.00663627 0.00036424 0.00362659 0.02781546 0.02173773 0.01344536 0.00016493 0.00627015 -0.00131341 +H 5.03070287 5.67933154 8.04527979 -0.01213236 0.00839280 -0.01976566 -0.13388689 -0.07107127 0.05465360 -0.02245221 -0.02353781 0.02366647 +C 4.35994289 6.94504786 4.98113224 0.00224657 0.00956684 -0.00934178 0.03231971 0.02780343 -0.00899893 0.00445960 -0.00260424 0.00677919 +N 6.43751077 6.69229839 6.35901412 0.00235303 -0.00399848 -0.00419654 0.02500422 -0.02901857 -0.04045798 0.00402519 -0.00442382 -0.00688818 +C 3.00025584 6.59444288 4.96833718 -0.00389459 0.00120927 -0.00079829 -0.02864361 0.02480385 -0.02897343 -0.00141689 0.00605158 -0.00740587 +H 4.95740381 7.47805892 4.23912453 0.03808329 -0.01565352 0.00690655 0.01884582 -0.08136510 -0.08422900 -0.02942786 -0.00517541 -0.02888328 +C 7.42372848 7.26853040 5.62622072 0.00024156 -0.00380846 -0.00103960 0.00446313 -0.00785705 -0.01656933 0.00196576 0.00131709 -0.00238724 +H 6.83171429 6.32925504 7.24762098 -0.00470194 -0.00061937 -0.01956493 -0.04711972 -0.05429962 -0.04130266 0.00020111 -0.01708449 0.01534822 +O 7.31299606 7.87446019 4.54840181 -0.00307947 -0.00228464 0.00124467 -0.02979755 -0.02542018 0.01067801 -0.00518781 -0.00439071 0.00090767 +C 8.79679029 7.34365008 6.25322144 -0.00423475 0.00567562 0.00453266 -0.00178266 0.03918263 0.04449849 0.00144006 0.00475371 0.00694662 +H 9.35614361 6.39003817 6.42139309 0.02297981 0.00127937 0.01291160 -0.02822818 0.10792669 0.00857981 -0.01709091 -0.00217213 -0.00614715 +H 9.43135719 8.09708208 5.73105838 0.03374153 0.00066393 0.01340772 0.09131926 -0.11248751 0.09293730 0.00210993 -0.00888886 0.00191610 +H 8.63966395 7.86198628 7.23959553 -0.00035208 -0.01603505 0.00155400 -0.00099355 -0.12381597 0.06607246 -0.00320725 -0.00508115 0.03311464 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03717635 5.97896144 5.91209122 -0.00560210 -0.00033327 -0.00266625 -0.05391464 0.00192526 -0.02686641 -0.00724087 -0.00054704 -0.00348115 +C 2.37717091 5.97308404 5.92370486 -0.00269295 0.00211623 0.00143804 -0.02744537 0.00979251 0.02421227 -0.00429404 0.00133469 0.00443383 +H 0.55385392 6.59206050 5.33211492 0.01883737 0.02416987 -0.02692756 0.24138941 0.04369791 -0.07792103 0.02299938 0.01667989 -0.02258504 +C 3.03153897 5.22444557 6.91075982 -0.00204297 -0.00663834 0.00432464 0.00195953 -0.02515885 0.01142152 0.00139165 -0.00023269 -0.00115665 +H 2.50088482 7.39308336 4.37753939 0.03899292 0.01276969 -0.01481788 0.21379617 0.09368544 -0.12429378 0.02378995 -0.00228125 -0.00130978 +C 4.43247828 5.40993183 6.99309008 -0.00380115 -0.00039659 -0.00258977 -0.00812114 -0.02482461 -0.01731772 0.00352871 -0.00622051 -0.00209506 +H 2.50853610 4.54136584 7.58253462 0.01542753 0.00131756 0.00559966 0.03906940 -0.00660930 0.06391205 -0.00473154 -0.00257235 0.00887203 +C 5.15005960 6.22299318 6.08685788 0.00159376 0.00046882 -0.00113593 0.01768747 0.00028545 0.00352935 0.00276509 -0.00198803 0.00417210 +H 4.94535180 4.78798759 7.69513425 0.01026394 -0.00119304 -0.01352883 0.07712769 0.03082585 -0.01842942 0.00316607 0.01024029 0.00510502 +C 4.44095280 6.91779487 5.11257034 0.00434524 -0.00808198 0.01070426 0.01858901 -0.03760677 0.05809300 0.00187498 0.00030714 0.00184503 +N 6.53571690 6.41685826 6.15380827 -0.00240960 0.00223917 0.00292888 -0.00559915 0.02754639 0.02831237 -0.00097560 0.00514229 0.00436577 +C 3.05167436 6.80800016 5.06011498 0.00796470 0.00364809 -0.00011114 0.04813629 0.02655666 -0.00561945 0.00319447 0.00326982 -0.00107546 +H 4.94806061 7.60089133 4.50823248 0.00114704 -0.01292150 0.00763102 -0.02801523 -0.06119836 -0.07929911 -0.01321051 -0.01958871 -0.00831707 +C 7.33711280 7.45258197 5.65724598 -0.00315428 0.00305562 0.00291147 -0.04497998 -0.01588574 0.03311247 -0.00724919 -0.00388067 0.00457070 +H 6.99466950 5.83746993 6.85400672 -0.00064818 -0.01316894 0.01378844 -0.03012115 -0.00932112 -0.04920049 0.00555546 -0.00292784 -0.00915544 +O 7.01822330 8.39227118 4.95248045 0.00088100 0.00187865 -0.00317207 0.00144759 0.01055442 -0.02390693 -0.00073467 -0.00025006 -0.00267107 +C 8.69383305 7.39062398 6.22335598 -0.00428449 -0.00097390 -0.00536397 0.00328299 0.00681143 -0.02622581 0.00608087 0.00383674 -0.00397347 +H 9.32559725 6.57251268 5.87439751 0.03492623 0.01925638 -0.01852040 0.08467549 0.14932729 -0.11463490 -0.01177095 0.01568449 -0.01979572 +H 9.16267371 8.31881267 6.03010135 -0.00148589 0.01431941 -0.02166134 -0.01696188 0.03689542 -0.09360266 -0.01239251 -0.01392894 0.00366558 +H 8.49986859 7.36778152 7.32382209 0.01564618 -0.01914181 -0.00086988 0.22106235 -0.14286307 -0.06170003 0.03984328 -0.01752937 0.00041709 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00693088 5.66384509 5.78831907 0.00013210 -0.00176175 0.00515388 0.00603840 0.00402357 0.04795622 -0.00008650 0.00105881 0.00696743 +C 2.32034976 6.06628612 5.97635874 -0.00368798 0.00359052 -0.00932302 -0.03938554 0.04904192 -0.05804796 -0.00354090 0.00807139 -0.00728305 +H 0.96860506 4.93633317 5.18418912 -0.01012123 0.01776939 0.02032514 -0.10337308 -0.02375314 0.04499213 -0.01200737 0.00300891 0.01455184 +C 2.62339824 7.41189416 6.47371737 0.00298239 -0.00375696 0.00301449 0.01367961 -0.03924921 0.01208862 0.00329799 -0.00893188 -0.00082376 +H 3.01489864 4.31021865 5.01505910 -0.02961222 -0.00624198 -0.01538941 -0.02388861 0.00177623 -0.00970890 0.03162956 0.02423998 0.02214770 +C 3.97478297 7.85087128 6.49620704 -0.00054258 -0.00476616 -0.00206846 0.01162070 -0.02265742 -0.00814160 0.00005694 -0.00595924 -0.00202192 +H 1.85933162 8.18350125 6.81763196 -0.01116051 -0.00217383 0.00867543 0.00694539 -0.21937142 0.01473541 -0.01956594 -0.01953101 0.01386670 +C 5.02792082 7.02108446 5.99402436 -0.00285625 0.00240616 -0.00464298 -0.04881937 0.00609758 -0.03183300 -0.00689482 -0.00144312 -0.00496191 +H 4.28212677 8.86689698 6.93904909 0.01825844 0.00657171 -0.00277004 -0.03519563 -0.12214941 -0.09901646 -0.00917128 0.01889210 0.00242183 +C 4.59987228 5.77153082 5.46790361 -0.00341350 0.00071943 -0.00158125 0.00026688 -0.02135989 -0.01347412 0.00434928 -0.00574764 -0.00216099 +N 6.34284567 7.45159537 6.03111502 -0.00151488 0.00614300 0.00000329 -0.01097112 0.03267646 -0.00065257 -0.00190600 0.00081282 -0.00071792 +C 3.28069446 5.20928614 5.46620143 0.00423466 -0.00067613 0.00054296 0.02584982 0.02826823 0.00004029 -0.00089966 0.00693514 -0.00154590 +H 5.36504514 5.12755741 5.07992410 -0.00702162 -0.00302507 0.00607736 -0.02698815 -0.05513014 -0.02482819 0.00019352 -0.00911109 -0.01083691 +C 7.49206074 6.83313072 5.83199503 0.00400515 -0.00875806 -0.00390010 0.02818739 -0.04256092 -0.02601321 0.00278931 0.00316027 -0.00155299 +H 6.52328720 8.42794833 6.29657390 -0.02125308 -0.00971653 0.01633022 -0.15464312 0.00505420 0.13160183 -0.01144569 0.01139547 0.01772324 +O 7.61756164 5.63115335 5.46879937 -0.00377181 -0.00183941 0.00313700 -0.02158832 -0.00554993 0.02479175 -0.00197373 -0.00170041 0.00324105 +C 8.69751679 7.72802555 6.04495933 0.01103419 0.00901313 0.00472973 0.06871148 0.03494008 0.01520596 0.00400366 0.00067842 0.00040440 +H 8.69777794 8.18051419 7.04387244 -0.01626062 -0.01221255 -0.01782353 -0.08337511 -0.02475508 0.06080672 -0.00197026 0.00446569 0.02089285 +H 9.66699433 7.14910771 5.91645734 0.00796086 0.00823134 0.00889911 0.01987511 0.09412250 0.07274419 0.02839601 0.00036089 0.01009966 +H 8.67330980 8.57238282 5.34938035 0.00794807 -0.00085784 0.00166485 0.08363902 0.00349114 -0.02410759 0.01545149 0.00373474 -0.00524879 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01849042 5.57127137 5.85679692 0.00151770 -0.00260796 -0.00140508 0.00024928 -0.00033290 0.00926186 -0.00265915 0.00001404 0.00246217 +C 2.28920446 6.08588016 5.96127427 -0.00711754 0.00106882 0.00376984 -0.03662787 0.01138649 0.01704480 -0.00063171 0.00197004 -0.00020204 +H 0.83332572 4.81101676 5.33530550 -0.00206621 0.00994836 0.02698924 0.06109522 -0.07436274 0.03020698 0.02542310 0.00487652 0.00481514 +C 2.75933418 6.70701403 7.15176093 -0.00607640 -0.00052427 0.00478061 -0.00211618 -0.01248838 0.00618298 0.00009480 -0.00217620 0.00269019 +H 2.64781914 5.58910056 3.98500726 0.00583572 0.03668152 -0.00506255 0.12230881 0.19135523 -0.14703571 0.03085773 0.01754095 -0.00626621 +C 4.15746706 7.06030513 7.25499550 -0.00233063 -0.00127348 -0.00356656 -0.04233125 -0.01678055 -0.02227968 -0.00563959 -0.00199369 -0.00041269 +H 2.14523171 6.80767662 7.96447337 0.03417523 0.00238656 -0.01323215 -0.02004447 0.05475189 0.16212124 0.00039144 0.00097594 -0.00341332 +C 5.03037712 6.76078029 6.17293449 -0.00489514 0.00601889 -0.00289687 0.00301013 0.05057835 0.00837737 0.00413186 0.00601102 0.00206637 +H 4.43542135 7.47619096 8.17246960 0.01311679 -0.00577051 0.00577723 0.12131944 -0.04933922 -0.02012351 0.00281912 -0.01605270 -0.02867191 +C 4.46418626 6.25230862 5.01476766 0.00230563 -0.00113133 -0.00174537 0.03938703 0.00226683 -0.03378317 0.00748244 0.00285264 -0.00545761 +N 6.42958330 7.05101118 6.40784676 0.00454779 -0.00445022 -0.00221121 -0.01147412 -0.03196661 -0.02234536 -0.00563173 -0.00379102 -0.00507622 +C 3.10982242 6.00401011 4.84360574 0.00902140 -0.00104690 0.00013987 0.03305957 -0.01645677 0.02290676 -0.00087771 -0.00330365 0.00402936 +H 5.16169925 6.08386870 4.18040003 -0.02437106 0.01688355 -0.00487106 -0.10102860 0.06844011 -0.13132503 0.00783540 0.00242272 -0.03227068 +C 7.50889769 6.99508580 5.63138437 0.00589213 0.00189950 -0.00701132 0.00876472 0.01288522 -0.02482244 -0.00478005 0.00161022 0.00292878 +H 6.55510403 7.40358852 7.38260774 0.00463559 0.00042766 -0.01620469 0.11128614 0.02316258 -0.10195957 0.02180077 0.01051182 0.00764963 +O 7.53007387 6.54591043 4.47786648 -0.00252104 0.00032522 0.00802892 -0.01158685 -0.00026133 0.04320876 -0.00047974 -0.00103165 0.00223787 +C 8.71121609 7.59620979 6.28864261 -0.00417886 0.00020671 0.00277686 0.00321671 -0.01142501 0.00230336 0.00363211 -0.00102407 -0.00429829 +H 9.56473648 7.33123750 5.64705463 0.01353771 -0.00709140 0.00301006 0.03063227 -0.06610068 0.15085273 0.00757487 -0.01381659 0.02479833 +H 8.71775255 8.68066873 6.25780722 -0.00619001 -0.01743101 -0.02945214 -0.08729789 0.00430262 -0.12453773 -0.01197675 0.00508817 -0.00165813 +H 8.81955988 7.21831916 7.35304720 0.00198614 -0.00013890 0.00335768 0.02530074 0.06351422 -0.05369792 0.00269375 0.01026134 0.01494058 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02487881 5.73283137 5.94470370 0.00332782 0.00721937 0.00481238 0.00502671 0.04895855 0.03205819 -0.00180654 0.00635479 0.00422968 +C 2.30537591 6.12219300 5.87215994 0.00473664 0.00215248 -0.00307256 0.01218440 0.04726664 -0.00398857 0.00159757 0.00664613 0.00199006 +H 0.85041803 4.83696098 5.94301536 -0.00647926 -0.00283854 0.01123956 0.02164129 0.03700650 0.06916411 0.01404769 0.02275034 0.00845118 +C 2.60883866 7.51206279 5.99037493 0.00954762 -0.00004452 0.00200637 0.06616336 0.00114165 0.01895173 0.00910591 -0.00330600 0.00215515 +H 2.91282366 4.13922562 5.72814956 0.00687275 -0.02213045 -0.02951768 0.15255949 -0.00180180 -0.12827215 0.02542246 -0.00004313 -0.00540254 +C 3.98650840 7.90449303 6.06529738 0.00496934 -0.00543000 -0.00230068 0.01259583 -0.05321764 -0.02421317 0.00194184 -0.00341915 -0.00371280 +H 1.84325331 8.33326420 6.15935700 -0.00937446 0.00685788 -0.00925743 0.05744611 -0.14637911 -0.10825043 -0.00607546 -0.00349605 -0.01135211 +C 4.98590747 6.92743482 5.86321324 0.00130886 -0.00744419 -0.00261934 0.01663498 -0.02722083 -0.00052645 0.00075581 -0.00158324 0.00208540 +H 4.19664561 8.88364482 6.26973358 -0.00008727 -0.00739387 -0.01554698 0.05459521 0.05458131 -0.09970064 0.00280083 -0.02808884 -0.01889779 +C 4.63832341 5.56460594 5.71318220 -0.00217137 -0.00374336 -0.00268829 -0.02364353 -0.03184036 -0.02288325 -0.00155579 -0.00225301 -0.00270795 +N 6.29201968 7.44379439 6.05097633 -0.00776944 0.00364304 0.00126502 -0.05341149 0.01911433 0.01026347 -0.00563464 0.00038109 0.00102958 +C 3.24581417 5.17287086 5.82786011 0.00371945 -0.00196154 0.00098562 0.06386806 -0.04037797 -0.02119539 0.00946926 -0.00536985 -0.00699042 +H 5.38117452 4.77447176 5.42276037 -0.00215474 0.00596081 0.00133235 0.00220277 0.03881094 0.11244516 0.01840844 -0.01763700 0.01948084 +C 7.49127439 6.87161869 5.91184049 -0.01091837 0.00338242 -0.00432250 -0.04975736 -0.00377418 -0.04479197 -0.00158856 -0.00227258 -0.00676468 +H 6.33688963 8.38498764 6.41015762 -0.01122148 0.00686196 0.01526697 -0.08744138 -0.01016261 0.05446133 -0.01216361 -0.00218642 0.00274648 +O 7.66268574 5.75064753 5.40959137 -0.00323946 -0.00447964 0.00000773 -0.03136352 -0.02057870 0.00699697 -0.00581040 -0.00142265 0.00168154 +C 8.74491412 7.63944658 6.24848688 0.00030114 0.00531929 0.00340213 -0.00055983 0.04196212 0.03787553 -0.00313628 0.00565243 0.00330429 +H 9.64008624 7.14830634 5.88068159 0.01048893 0.02653721 -0.00096887 0.03600533 0.12491832 -0.00694219 -0.00443598 0.01081117 0.00277745 +H 8.73855275 8.60621287 5.75677837 -0.01219588 -0.01189556 0.01879885 -0.10708401 0.08137366 0.05154642 -0.01437877 0.02304255 0.00741050 +H 8.94009462 7.88170501 7.32499176 -0.00623924 -0.00348961 0.01715466 -0.13132287 -0.10724579 0.01717705 -0.02210984 -0.01836610 0.01344995 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97685207 5.72833251 5.91861711 -0.00599066 0.00231837 -0.00681988 -0.03004189 0.03301843 -0.05105845 -0.00156339 0.00602533 -0.00810117 +C 2.27304971 6.15145606 5.81779358 0.00204999 0.00029973 0.00719351 0.01907023 -0.00143903 0.06236814 0.00136857 -0.00230392 0.00960171 +H 0.83893461 4.89402244 5.46073684 0.01020575 0.01806495 0.00492856 0.02133508 -0.01515864 -0.00918393 -0.00373926 -0.00524000 0.00060033 +C 2.67954793 7.50483491 6.09948930 0.00072805 -0.00629142 0.00772169 -0.01661926 -0.04416989 0.03152342 -0.00415030 -0.00491675 0.00197836 +H 3.04917904 4.18082902 5.43255528 0.00206949 0.01737640 -0.01697272 0.00688274 -0.01218777 -0.07221797 0.00618715 0.00751017 0.00262560 +C 4.04435782 7.82808638 6.10392695 -0.00084787 -0.00388859 -0.00682932 -0.02883628 0.01285865 -0.02243147 -0.00793643 0.00698465 0.00059914 +H 1.95888285 8.30179707 6.13308867 -0.01649055 0.00481057 0.00081491 -0.03851704 -0.09714205 0.10072115 -0.00017719 -0.02472811 0.02555402 +C 5.02204819 6.88430710 6.03396297 0.00261105 0.00802463 0.00551816 0.00367766 0.03623066 0.01849505 -0.00293431 -0.00140477 -0.00067904 +H 4.37191174 8.83753508 6.29539848 -0.00732342 0.00584912 0.00636330 -0.14027717 0.03011027 -0.04213673 -0.02540945 0.00837228 -0.01732358 +C 4.66223245 5.58054324 5.83493711 -0.00082969 -0.00230230 0.00432554 -0.00562049 -0.04902902 0.03190844 0.00082091 -0.00570574 0.00505938 +N 6.27816166 7.41925401 6.03670033 -0.00968011 -0.00003911 -0.00293551 -0.00561568 0.01858426 -0.00059514 0.00922072 0.00577046 0.00227972 +C 3.29254992 5.18383034 5.64899786 0.00267492 0.00132935 -0.00199313 0.02359934 0.02724303 -0.00767963 0.00197403 0.00234165 -0.00069124 +H 5.38147985 4.76529772 5.89096606 0.01148526 -0.01391163 0.01117249 0.02163778 0.02374183 -0.03621917 0.00361381 0.00329403 -0.01939695 +C 7.48388456 6.88073107 5.87277024 0.00468355 -0.00416351 -0.00600158 0.00811099 -0.01540272 -0.04457516 -0.00316445 0.00128401 -0.00554169 +H 6.37071579 8.33417908 6.34927228 0.01583721 0.01674308 -0.00629352 -0.01343470 0.06400389 -0.08717591 -0.01927699 -0.01062153 -0.02037572 +O 7.55436432 5.73564019 5.46925020 0.00447632 -0.00146150 0.00189273 0.04700244 -0.02382747 0.01022374 0.00871657 -0.00555083 0.00084276 +C 8.75459568 7.73670330 6.11387281 0.00219304 0.00278258 0.00159642 -0.01831572 0.01321053 0.00160098 -0.00385508 -0.00343773 -0.00304308 +H 8.86685956 7.92695373 7.22400724 0.00039874 -0.02280649 -0.02934204 0.04215177 -0.13947087 -0.01750476 0.00932503 -0.00849868 0.03654448 +H 9.58416025 7.20832049 5.74166341 -0.01385411 0.01553880 0.00916623 0.09750176 0.03499351 -0.01898018 0.00457110 0.01212517 -0.00274154 +H 8.68227161 8.75979356 5.65223918 -0.00181796 -0.00456200 0.00175498 -0.01050417 -0.04876761 -0.00941688 -0.00374251 0.01536954 -0.00874819 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03578203 5.67956631 5.87029608 0.00268878 0.00390142 0.00013505 0.00526993 0.01886614 0.00422074 -0.00020670 0.00227142 0.00108819 +C 2.29933874 6.11571895 5.91527120 0.00311458 -0.00007788 -0.00590271 0.02814509 0.00998003 -0.03898628 0.00241997 0.00323944 -0.00403909 +H 0.93996486 4.80325648 5.58603915 0.01518770 -0.01718856 -0.00710383 0.08973974 0.03435797 -0.00854430 0.00565433 0.01186889 0.00003211 +C 2.69166396 7.34061935 6.53274185 0.00410346 -0.00637133 -0.00334594 -0.00079829 -0.03022699 0.00499798 -0.00069570 -0.00264175 0.00290102 +H 2.93513332 4.33589483 4.83572509 0.00223427 0.01372601 0.04098683 0.03701807 0.00294103 0.10236617 0.00602809 -0.02058141 -0.01670181 +C 4.02928816 7.81052264 6.58924788 0.00289219 -0.00529498 0.00023343 0.00823299 -0.05104342 -0.00780072 -0.00338839 -0.00943460 -0.00207496 +H 1.88606087 7.83311175 7.08766743 -0.01762701 0.01043937 0.01766260 0.09686956 0.02936654 -0.05973049 0.01519929 0.01100755 -0.01537641 +C 4.98387508 6.95702738 5.93105478 -0.00793131 0.00029161 -0.00008958 -0.03024429 0.03397852 0.01063586 0.00225947 0.00666911 0.00125322 +H 4.30377138 8.75841253 7.08954927 0.01967553 0.01038482 0.00287684 0.04482669 -0.11719475 -0.04651273 -0.00184663 -0.01568459 -0.00069575 +C 4.55386649 5.77888986 5.28368886 0.00738665 0.00144118 0.00295917 0.06224808 0.00834064 -0.00313837 0.00864991 0.00073330 -0.00379739 +N 6.30194787 7.44849997 5.90120766 -0.00459597 0.00674160 0.00565747 -0.03525836 0.02136413 0.03200247 -0.00565950 0.00005269 0.00341441 +C 3.23587736 5.31871467 5.26623631 0.00069409 0.00078087 0.00153332 0.02957742 0.01483147 0.02620173 0.00990732 0.00315313 0.00524482 +H 5.29531320 5.34239394 4.66682546 0.01641645 0.02334805 -0.01495413 0.07620547 -0.01960348 -0.00908684 -0.00168971 -0.02278166 0.02004424 +C 7.49528885 6.81291832 5.81303393 -0.01072106 -0.00248097 -0.00233259 -0.06083007 0.02051019 0.00521487 -0.00473930 0.00591375 0.00364988 +H 6.43199005 8.44579367 6.15121334 0.01401319 -0.02039282 0.00004392 0.02383026 0.02052186 0.00009953 -0.01081291 0.02579681 0.00090424 +O 7.67635011 5.63821942 5.88426408 -0.00119306 0.00069073 0.00219007 -0.01601325 -0.01857792 0.00727276 -0.00400855 -0.00438161 -0.00020081 +C 8.69670690 7.74455671 5.93385466 -0.00014328 -0.00067036 -0.00559908 -0.02743306 -0.00649280 -0.03332097 -0.00547100 -0.00273312 -0.00679279 +H 8.67557268 8.20658518 6.95492822 -0.00855373 -0.01890768 0.00164000 0.01863765 -0.13777010 -0.03484041 0.01376640 -0.00592142 0.00759253 +H 9.65357937 7.30533367 5.72937626 -0.01688505 -0.00386536 -0.00490302 -0.02860312 -0.11543171 -0.04313164 -0.01209555 -0.02029274 -0.00042172 +H 8.47377802 8.56150226 5.24477223 0.02286805 -0.01657259 -0.00229910 0.19591096 0.00282405 -0.09644784 0.02479083 0.01097157 -0.01335307 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00195322 5.85404416 5.65941953 -0.00157548 -0.00064987 -0.00005119 -0.01576373 -0.02134055 -0.00279046 -0.00275368 -0.00361198 0.00019565 +C 2.32760171 6.06531362 5.93428680 -0.00648359 -0.00124730 0.00307568 -0.03591487 0.00361251 0.01515624 -0.00220068 0.00222990 0.00075463 +H 0.78186080 5.03782204 5.24526397 -0.00495719 -0.02354033 -0.00827174 0.03810768 -0.01258362 0.02740136 0.00805232 -0.00965737 0.00135507 +C 2.68017742 7.34886949 6.34408833 -0.00292023 -0.00048798 -0.00225291 -0.01518638 0.00065239 -0.01614698 -0.00357712 0.00294315 -0.00171412 +H 2.97118650 4.18031416 5.16096836 -0.01702619 -0.00221537 0.01786647 0.09663052 0.07840849 0.16009647 0.02715572 -0.01745969 0.00458504 +C 3.99662332 7.82014198 6.43760302 0.00462839 -0.00519417 -0.00107584 0.01684375 -0.06273585 -0.02085134 -0.00022429 -0.00678990 -0.00428614 +H 1.87055364 8.00826367 6.43596992 0.02048651 -0.01441656 -0.00736075 -0.02505818 0.11760462 0.02002150 0.00398490 0.01588633 0.00687032 +C 5.02116567 6.88297840 6.16876817 0.00972433 -0.00157025 -0.00023343 0.05571703 0.01212819 0.00013832 0.00336615 0.00265308 0.00011334 +H 4.17155972 8.83517942 6.54396475 -0.01787818 -0.01120647 -0.02827284 -0.03367475 0.03837534 -0.05226055 0.00527524 -0.02496589 0.01020275 +C 4.68243935 5.57364238 5.73992713 0.00899940 0.00062925 0.00627626 0.05471963 -0.00917574 0.02949077 0.00439693 -0.00056315 0.00221893 +N 6.31822297 7.43588072 6.20624849 -0.00512885 0.00923468 0.00147115 -0.02563539 0.02868771 0.00115969 0.00109787 0.00137609 -0.00030112 +C 3.33028667 5.15739162 5.60997429 0.00447645 0.01032095 -0.00296866 0.02320252 0.05850982 -0.01796381 0.00356824 0.00901647 0.00036649 +H 5.44659732 4.85480693 5.39726100 0.00856367 0.00727344 -0.01955695 0.00899335 0.04906204 -0.03405185 0.00957313 -0.01168979 0.00566364 +C 7.45490613 6.86282230 5.79926917 -0.00288261 -0.00876475 -0.00043355 -0.02529832 0.02017213 0.02356118 -0.00450233 0.01172146 0.00575148 +H 6.34119307 8.38848035 6.54462507 0.01592725 -0.01758089 -0.00138581 0.12515914 0.02889396 0.06393392 0.00579652 0.00325879 0.01049913 +O 7.53692980 5.84070587 5.23770872 -0.00392322 0.00485034 -0.00158429 -0.02054810 -0.00763985 -0.03022450 -0.00207885 -0.00540097 -0.00615058 +C 8.69437925 7.72522594 6.00019066 -0.00244725 -0.00140688 0.00291785 -0.01346113 -0.03169830 0.02799847 0.00041359 -0.00682994 0.00148206 +H 8.82511854 8.00587508 7.07071636 0.01782864 -0.00076876 -0.01177859 0.08308816 0.01201791 -0.02860787 0.00715606 0.00385698 0.01684689 +H 9.55870485 7.15017177 5.77578040 -0.02593152 -0.01425996 -0.01176303 -0.06624248 -0.14342601 -0.10041231 -0.00964130 -0.00846959 -0.00604655 +H 8.74837481 8.59727658 5.37877946 0.00549712 -0.02627607 0.01282124 -0.01679391 -0.00531597 -0.04132699 -0.01068825 0.00181189 -0.00712026 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92050890 5.80741022 5.80075190 0.00292985 -0.00472835 -0.00505906 0.01342169 -0.01968249 -0.03385696 0.00138760 -0.00265023 -0.00472907 +C 2.21552357 6.17292006 5.85820221 -0.00173102 -0.00040804 0.00056075 0.04672206 -0.00334152 0.01173534 0.01034416 -0.00083762 0.00277473 +H 0.78438494 4.87281993 5.78040330 -0.00642613 0.02153982 -0.01326121 -0.04605806 -0.04036429 -0.11885709 0.00239740 0.00354218 -0.01763121 +C 2.59240466 7.47881875 6.31615273 0.00826052 -0.00086324 0.00257350 0.02949772 -0.03761139 0.00387620 -0.00193117 -0.00550318 -0.00042942 +H 2.97889717 4.22420040 5.46749312 -0.00788008 0.00011104 -0.00335221 0.02685886 -0.00112697 -0.11344360 0.01434759 0.01710756 -0.01964488 +C 3.96871768 7.74936147 6.34971374 -0.00444523 0.00083255 0.00712506 0.00568679 0.01014124 0.03102838 0.00845687 0.00312062 0.00209900 +H 1.88218099 8.16812808 6.59139589 -0.00875773 0.01019833 -0.00523653 -0.00214584 0.04449239 -0.07125372 0.02882252 -0.02279456 -0.01969455 +C 5.02030338 6.81717057 6.03186223 0.00258203 -0.00501677 0.00114437 0.00744400 0.02514899 0.03963057 -0.00211189 0.00968325 0.00875710 +H 4.11598354 8.79107841 6.49835864 0.02183849 -0.00197215 -0.00979045 0.21023466 -0.01035289 0.05401749 0.01922875 -0.01339238 0.02210618 +C 4.68522975 5.50477376 5.75411835 0.00007442 0.00353813 0.00163392 -0.02145591 0.01465693 -0.00084162 -0.00631753 0.00145671 -0.00055756 +N 6.33376006 7.34481067 6.22523214 -0.00464536 0.00160558 -0.00579074 -0.01546082 -0.00446916 -0.06231175 -0.00006278 -0.00182886 -0.01030166 +C 3.30756182 5.21739212 5.59141073 -0.00040152 0.00405064 0.00227126 -0.03846894 0.02581004 0.03191940 -0.00709641 -0.00011572 0.00513376 +H 5.43302643 4.73315454 5.55944850 -0.01566004 0.00177083 0.01995378 -0.03411981 -0.02126758 0.12734189 0.00567815 -0.00612366 0.00925284 +C 7.55331749 6.86873015 5.79906896 -0.00024202 0.00400226 0.00305689 -0.03784353 0.02306661 0.02134989 -0.00870125 -0.00042664 0.00021948 +H 6.41183703 8.35473600 6.42346567 0.01469394 -0.00900041 -0.01684677 -0.00063962 -0.04080175 0.01058911 -0.01456600 0.00786877 0.01980324 +O 7.71520717 5.87905828 5.11994567 -0.00065601 0.00070497 0.00083651 -0.00559264 -0.00061067 0.00847792 -0.00128925 0.00003514 0.00235720 +C 8.72406389 7.74670649 6.14866149 -0.00354240 -0.00172113 -0.00163620 -0.02705696 -0.01572187 -0.01449739 -0.00110143 -0.00042987 -0.00161529 +H 8.47341223 8.30595692 7.03442416 0.02260405 -0.02564274 -0.01798423 0.09059937 0.00347101 0.07040196 0.00556984 0.01333201 0.01372725 +H 9.57003671 7.14586892 6.43384271 -0.00978851 0.00199611 -0.00137133 0.04216918 -0.01820119 -0.12337150 0.00299052 -0.00448233 -0.03014466 +H 8.74989360 8.43516451 5.33089937 0.01122597 -0.01005297 -0.00396765 0.22638210 -0.03388632 -0.04667147 0.03563273 -0.01092195 0.00782212 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04630486 5.70353469 5.62426957 0.00006968 0.00381380 0.00097811 -0.00460953 0.01920135 0.01789858 -0.00043721 0.00144711 0.00542364 +C 2.32028752 6.00082914 5.93654289 0.00441856 -0.00389212 0.00001970 0.03684806 -0.01796936 -0.00200502 0.00446947 -0.00168842 0.00023736 +H 0.86212889 5.88756331 4.68119756 -0.00491472 -0.00226262 0.00668314 -0.06316835 -0.00763030 0.04488335 -0.01486694 0.00443034 -0.01245602 +C 3.00992023 5.58851452 7.09183613 -0.00004698 -0.00358723 0.00355789 0.00565709 -0.02644749 0.03827285 -0.00063224 -0.00486933 0.00782704 +H 2.54700573 6.97710466 4.09461904 0.00581656 -0.02632506 -0.00506971 0.01861682 -0.04475877 -0.09667029 0.01307662 0.00725834 0.01360162 +C 4.42830222 5.78489883 7.30690117 -0.00377866 0.00214046 0.00594057 -0.04048931 0.01870082 0.01276981 -0.00502403 0.00193635 -0.00004569 +H 2.41398707 5.11839749 7.81504440 0.01466745 0.00289677 0.00674847 0.06730703 -0.11835987 0.11134449 0.01574841 -0.01786574 0.00018492 +C 5.14165699 6.55296790 6.38306899 -0.00330338 -0.00306760 -0.00757639 -0.05287416 -0.02077704 -0.07665591 -0.00772654 -0.00270729 -0.01175728 +H 5.01574622 5.31725679 8.03116449 -0.01121263 -0.00169262 -0.00749819 -0.12121652 -0.01465729 0.16160227 -0.03559449 0.01958845 0.01663886 +C 4.38734849 6.99629478 5.23609265 -0.00950988 0.00147118 -0.00722767 -0.03594573 0.02003290 -0.05060244 -0.00080943 0.00244544 -0.00499208 +N 6.49282594 6.72787639 6.49238776 0.00180504 -0.00169032 -0.00275242 0.03193365 -0.01565606 -0.02736973 0.00255467 -0.00263950 -0.00620950 +C 3.00928741 6.72712143 4.98933090 -0.00061583 0.00405708 0.00028822 0.01367460 0.01634476 0.00459576 0.00134010 0.00070298 -0.00272289 +H 4.90708155 7.56723920 4.44862315 0.01858155 -0.01129108 -0.01340902 -0.07830478 -0.10191700 -0.06506911 -0.01759947 0.00132195 -0.02902212 +C 7.36351308 7.31577056 5.60603796 0.00864432 -0.00179934 -0.00155603 0.03027532 -0.03282232 0.00385711 0.00098410 -0.00683156 0.00203498 +H 6.98014409 6.16720899 7.19245170 0.00023502 -0.01851184 0.01341264 -0.09223033 0.06604303 0.04479987 -0.00871356 0.02279861 0.01761701 +O 7.08812488 7.59150499 4.44061217 -0.00338120 0.00182399 0.00329023 -0.00885544 0.01978549 0.02368886 0.00085408 0.00368998 0.00354956 +C 8.75615784 7.46054131 6.12542631 0.00747460 0.00273740 0.00239747 0.04229958 0.02621187 0.02792289 0.00493813 0.00099326 0.00311152 +H 8.96840118 6.53349767 6.61437041 -0.00304094 0.01755562 0.00786250 0.12524693 0.01447318 0.07198339 0.03081371 0.00611744 0.00275362 +H 9.46691846 7.68749678 5.34629954 -0.00822809 0.00095177 0.00597479 0.04458725 0.02409327 -0.02153758 0.01074658 0.00691439 0.00255734 +H 8.80928586 8.27039561 6.91889287 -0.02354302 -0.00419737 0.00531928 -0.12426188 -0.01923202 -0.03247839 -0.00640911 0.02395633 0.00714086 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02348847 5.76153544 5.85586792 0.00173758 0.00054296 -0.00426870 0.00000793 0.00804067 -0.02696962 -0.00238490 -0.00085989 -0.00487397 +C 2.32334621 6.09863555 5.88076485 0.00175704 0.00024217 0.00005957 -0.01649628 0.03394802 0.01107582 -0.00447298 0.00761253 0.00260332 +H 0.76319848 4.95007365 5.49296964 0.01627125 0.02090967 -0.00901539 0.12166737 -0.01625292 -0.13778341 0.02395618 0.01601525 -0.00839297 +C 2.59078277 7.38780239 6.39965898 0.00045849 0.00024746 0.00593844 0.01484158 -0.01451004 0.05585359 0.00140328 -0.00399973 0.00964643 +H 3.02918559 4.30457025 4.89414103 -0.00823957 0.02830795 -0.00518056 -0.04195116 0.09558397 -0.06397112 -0.00347963 -0.01424016 -0.01685658 +C 3.96145867 7.74075107 6.58276752 -0.00811873 -0.00269951 -0.00419728 -0.01944443 -0.01227630 -0.04045242 0.00238077 -0.00438180 -0.00875316 +H 1.82864548 8.02323296 6.80777663 -0.01195821 -0.00472432 0.01279354 -0.03705276 -0.05447424 0.01931082 0.00671272 -0.00773131 -0.00567224 +C 5.03670854 6.92534107 6.06611117 -0.00549391 -0.01043950 -0.00164361 -0.05967217 -0.03704913 -0.01171301 -0.00684722 0.00218033 -0.00110631 +H 4.20769480 8.74438940 7.07490025 0.02366821 0.00144939 -0.02698707 0.06357370 -0.08645665 -0.20964928 0.00278082 0.02254326 -0.00831534 +C 4.61738618 5.73594519 5.42518570 -0.00048552 -0.00074864 0.00813029 0.00739747 -0.04957678 0.03899713 0.00215754 -0.01368778 0.00245402 +N 6.31994291 7.42377776 5.95614293 0.00251840 0.00409659 0.00200492 -0.00462994 0.04699133 0.03385502 -0.00681022 0.00651358 0.00695674 +C 3.28199544 5.28153336 5.36490003 -0.00086480 0.00014865 0.00143922 0.01661327 0.00806840 0.01003607 0.00340189 0.00359287 0.00207405 +H 5.33796282 5.09052893 4.98126560 -0.00329260 -0.02181002 -0.00663571 -0.02834674 -0.04934520 -0.00190502 0.00017717 0.00699098 0.00743163 +C 7.51583379 6.83589048 5.85890477 -0.00302836 0.01041836 0.00484971 -0.01521249 0.04977252 0.01397431 0.00053927 -0.00036267 -0.00152657 +H 6.38798908 8.42635746 6.13556429 -0.01648996 0.01550849 -0.00862116 -0.08270277 0.03161129 -0.06768545 -0.00284856 0.01411871 -0.00564306 +O 7.60563884 5.64903473 5.62450106 -0.00051100 -0.00413168 -0.00277344 0.00531283 -0.01481248 -0.01244702 0.00139873 0.00244194 -0.00024198 +C 8.73656180 7.78398704 5.96924179 0.00459017 0.00101746 -0.00210370 0.04078609 -0.01884277 -0.01140916 0.00688547 -0.00184934 -0.00354060 +H 9.59061660 7.26397348 5.54841562 0.02428948 0.00129164 0.00006399 0.06937079 0.06022251 -0.01937281 -0.00697270 0.00702427 -0.01223688 +H 8.62786475 8.73904870 5.57458643 0.01959239 -0.00635680 0.00815150 0.05812417 0.06617074 -0.08185034 0.00006323 -0.01697599 -0.00743646 +H 8.93982168 7.98465149 7.05211317 0.03497932 -0.01293184 -0.02927647 0.22881368 -0.11037964 -0.07266864 0.02497968 -0.01353852 0.01959440 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97165565 5.74504472 5.82135661 0.00256217 -0.00130540 0.00188585 0.00796345 -0.00339542 0.01468890 -0.00128777 0.00018313 0.00104421 +C 2.27273704 6.16338162 5.80991727 -0.00610168 0.00041183 -0.00223221 0.00461506 -0.00120681 -0.01664290 0.00619650 -0.00020864 -0.00236434 +H 0.54307079 5.76687240 5.01650231 -0.02523895 0.00500802 0.01544571 -0.12042365 0.07114315 0.07374473 0.00644517 0.01575171 0.02640481 +C 2.70388982 7.52552675 5.78149133 0.00188067 0.00168358 -0.00022509 -0.01035958 -0.00557047 -0.00259453 -0.00497212 -0.00220385 -0.00059415 +H 2.86785797 4.09110801 5.95914225 0.00469437 0.02105157 0.00642954 0.11933162 0.05704621 -0.02361058 0.01251515 -0.03558872 -0.01150192 +C 4.05999735 7.88434670 5.87854948 0.00235577 -0.00110283 0.00202857 0.00389862 -0.03147897 0.01154321 -0.00127480 -0.00622131 0.00006495 +H 1.95338683 8.27911101 5.70281202 -0.00051910 -0.00772241 -0.00402900 -0.01311270 0.02494100 -0.03912736 0.00584950 0.00454623 -0.00560917 +C 5.01684848 6.85551763 6.09867646 -0.00236035 -0.00961028 -0.00295200 -0.00120568 -0.03895125 -0.02181705 0.00414185 0.00231086 -0.00235165 +H 4.30077305 8.91690353 5.81948785 -0.00453298 -0.00343799 -0.03553328 0.03877806 -0.02314909 -0.15814098 0.01064705 -0.02137486 -0.00082557 +C 4.60240192 5.45589527 6.06988908 -0.00103787 0.00177088 0.00325748 0.01789524 0.03343828 0.01092096 0.00625942 0.00331949 -0.00103687 +N 6.31078877 7.35513810 6.25887698 0.00695422 -0.00177763 0.00011239 0.01995237 0.00111796 0.01465966 -0.00321898 -0.00389029 0.00147422 +C 3.27019108 5.14959629 5.87721258 0.00566615 0.00274713 -0.00288028 -0.00566549 0.02839023 -0.00488131 -0.00383519 0.00709344 0.00159834 +H 5.26513050 4.64559884 6.17679417 0.00616442 0.01255468 -0.03203497 0.12587720 0.05147368 -0.13571925 0.00621691 0.01946384 -0.00217515 +C 7.49469218 6.85930418 5.93442522 -0.00178741 -0.00341369 0.00103480 0.01107242 -0.00367978 0.00306676 0.00389843 0.00359211 0.00036294 +H 6.39115678 8.33234924 6.66951375 -0.01809800 0.02132189 0.02059231 -0.11644299 -0.10107512 -0.03462603 -0.00581996 0.02056803 -0.00109649 +O 7.67180502 5.69639649 5.61385818 -0.00545256 0.00460788 0.00123515 -0.03474077 0.01599182 0.00354635 -0.00406874 -0.00087355 -0.00052918 +C 8.68005718 7.86577636 5.86566467 0.00259121 -0.00124622 -0.00089345 -0.01385819 -0.01831800 0.00606776 -0.00527835 -0.00022329 0.00161093 +H 9.43395294 7.66898798 6.63805317 -0.02421605 0.01422004 0.00072638 -0.04832531 0.03558824 0.06744869 0.00737380 -0.00501052 0.01316452 +H 9.11871743 7.81091327 4.87042707 -0.01737373 0.01244503 0.02515741 0.04492916 0.02428764 -0.01658430 0.02216091 -0.00979565 -0.01132905 +H 8.32408843 8.83988702 5.99004200 0.01398502 0.00122029 -0.01374796 0.04097106 0.08964874 -0.05568871 0.00316425 -0.01241966 -0.00340265 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.93544982 5.75356562 5.76118119 -0.00081850 -0.00036535 -0.00219572 0.00433504 0.00436028 -0.00254311 0.00246573 0.00145357 0.00097714 +C 2.28280594 6.08665949 5.78747962 0.00611382 -0.00529184 -0.00603379 0.01105928 -0.06035977 -0.01502867 -0.00220372 -0.01096108 0.00026801 +H 0.42937177 5.92543365 6.51929444 0.00223489 0.01173354 0.02066133 0.12525040 0.03023890 0.04503294 0.02395816 -0.00170808 0.00181927 +C 2.80455864 6.56364003 4.62962156 0.00605643 -0.00304068 0.00303560 0.04081973 -0.01079439 -0.01820583 0.00219375 -0.00001363 -0.00669434 +H 2.69353988 5.58269867 7.80526521 -0.00382580 0.00375698 0.01045140 0.03148907 -0.07214503 0.04954911 0.01956850 -0.01421363 -0.01989962 +C 4.18722573 6.91976790 4.52503096 -0.00591908 -0.00036783 0.00061070 -0.03381060 -0.01267684 -0.00747954 0.00049520 -0.00214364 -0.00245350 +H 2.13707652 6.52917796 3.78159587 -0.01303310 0.03407280 0.00253988 0.03166784 0.30659242 0.05140993 0.01863423 0.04263407 0.00752320 +C 5.08369323 6.65666162 5.56602301 -0.00499175 -0.00518471 0.00326020 -0.01414404 -0.00243301 0.00700203 0.00024897 0.00434170 -0.00123477 +H 4.52715093 7.26367512 3.57706936 0.00347869 0.01242052 0.00002696 0.00112417 0.10183881 0.03964946 -0.00933319 0.01231025 0.01574019 +C 4.52927606 6.13173923 6.75283910 0.00618598 0.00870223 0.00177137 0.01721427 0.04302934 0.02416523 -0.00258096 0.00244730 0.00540679 +N 6.43832409 7.09802129 5.36771470 -0.00294316 0.00083988 0.00814992 -0.02887094 -0.01117831 0.04724654 -0.00538827 -0.00335252 0.00402388 +C 3.13373045 5.83986213 6.89158170 -0.00398219 -0.00107616 0.00092387 -0.00447172 0.01467283 0.00326457 0.00336339 0.00404280 0.00243685 +H 5.20611470 5.98724953 7.56974869 0.02030745 -0.00018857 -0.02186901 0.03619548 -0.04041433 0.01008528 -0.01709977 -0.00750386 0.01990504 +C 7.48252942 7.08622956 6.23605552 0.00223458 -0.00318456 -0.00626234 -0.00660727 -0.02656791 -0.00022054 -0.00286561 -0.00314100 0.00431311 +H 6.72156360 7.32291082 4.43316948 -0.01811633 0.01731962 -0.00024781 -0.15903652 0.14004464 0.06967500 -0.01995903 0.02067028 0.01960629 +O 7.36165681 6.73043298 7.43932170 -0.00921533 0.00326896 -0.00337982 -0.05207650 0.02750343 -0.04224043 -0.00525968 0.00405037 -0.00692204 +C 8.82459302 7.60080738 5.78355662 0.00710828 -0.00350580 0.00158616 0.05069931 -0.01880215 -0.00482427 0.00658404 -0.00109998 -0.00243659 +H 9.49375167 6.76420488 5.49502396 0.01332037 0.00769372 -0.01612526 0.02687677 0.07002882 -0.15100514 -0.00095648 -0.00072030 -0.03143444 +H 8.69121841 8.32105749 4.98416030 0.01446421 0.03142415 0.01199550 0.12676765 0.10838492 0.13301346 0.01550461 -0.00011917 0.02228391 +H 9.28131703 8.09839116 6.65626398 0.02873117 -0.02168939 -0.01898270 0.21461720 -0.11402994 -0.05816686 0.02652345 -0.01434212 0.00759828 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99269579 5.66192571 5.94409342 0.00359148 0.00219840 0.00046549 0.02332773 0.01883274 0.00552926 0.00139637 0.00305929 -0.00082397 +C 2.31457187 6.04201000 5.95346839 -0.00811720 -0.00057638 0.00395826 -0.01451211 -0.00146290 0.01322156 0.00537877 0.00043434 0.00091529 +H 0.57296267 5.69484852 5.08963244 0.02481685 0.00577073 0.01612151 0.09118860 0.05900576 -0.04915974 0.00900043 0.00845294 -0.00379698 +C 3.03494578 5.73653134 7.14210255 -0.00274734 -0.00636194 0.00210528 -0.02639190 -0.03739666 -0.00074691 -0.00563361 -0.00428475 -0.00279865 +H 2.44853928 6.91833096 3.93476018 0.00389242 0.01050018 -0.00172006 0.10659995 0.00953636 -0.00262268 0.01903591 -0.00950498 0.00591463 +C 4.40091373 5.96990679 7.24336651 -0.00537881 0.00078031 0.00277086 -0.04433545 -0.00212881 0.00449119 -0.00607855 -0.00229759 0.00021624 +H 2.60214196 5.28001515 8.04277786 0.01260241 -0.01356254 -0.02338081 -0.09385470 -0.10471983 -0.06795258 -0.03337433 -0.01463292 0.00462892 +C 5.09918493 6.33105823 6.09618149 -0.00289028 -0.00135903 0.00382735 -0.00734082 0.03361025 0.02194239 -0.00027006 0.01100365 0.00101894 +H 4.91305216 5.88602554 8.19151849 -0.02741012 -0.01398751 -0.01390495 -0.09268832 -0.19130634 0.03371977 -0.00289346 -0.03090795 0.00624110 +C 4.38603879 6.81750416 4.97835502 0.00449320 0.00266785 -0.00662981 0.04031616 -0.00798591 -0.06849139 0.00632026 -0.00599470 -0.00902039 +N 6.46731223 6.54085411 6.29634748 -0.00428779 -0.00227225 0.00402911 -0.01697610 -0.00415391 0.01868519 0.00028717 0.00254643 -0.00114797 +C 3.01316722 6.61395059 4.80131228 0.00673154 0.00295224 0.00082873 0.00288437 0.00855078 0.05785063 -0.00410747 0.00041917 0.01262101 +H 4.85555857 7.15494343 4.06964436 0.00898312 -0.02037125 -0.02677136 0.11836274 -0.05772090 -0.03556535 0.02006483 0.00528886 0.01008381 +C 7.36940948 7.33426308 5.67702202 0.00079831 -0.00006235 -0.00621815 0.00556683 -0.01024670 -0.03312991 0.00121500 -0.00456066 -0.00066675 +H 6.82856397 6.10721513 7.17528787 0.00543611 -0.00855064 -0.00968518 0.02942645 -0.06153188 -0.08269479 0.00946525 -0.01964458 0.00941939 +O 7.23117031 7.97963636 4.63645065 -0.00053193 -0.00049205 -0.00035725 -0.01806323 -0.00355259 -0.00612838 -0.00460083 -0.00020973 -0.00200050 +C 8.73917270 7.37782840 6.26801209 0.00600236 0.00398101 0.00103540 0.04704745 0.01561989 0.01378572 0.00575602 0.00078514 -0.00199828 +H 9.13831493 6.39772701 5.99959397 0.02143683 0.01489291 0.01136045 0.21360540 0.07440060 0.09358342 0.03307112 0.00617245 0.01589202 +H 9.43176276 8.13698419 5.91731023 -0.01155107 0.00052638 -0.02066045 -0.10111504 0.05448923 -0.18204953 -0.01731588 0.00944109 -0.01378793 +H 8.81791980 7.47841641 7.40289479 -0.01398087 0.00518337 -0.00905866 -0.15773088 0.05020183 -0.06372383 -0.02093016 0.01828785 0.02276226 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95724908 5.97089908 5.87988204 -0.00186539 -0.00138313 0.00398824 -0.03749282 -0.01543935 0.01077748 -0.00552502 -0.00277413 0.00120920 +C 2.26455454 6.05360341 5.97556225 -0.00065958 0.00077823 -0.00579687 0.02580150 0.01976807 -0.01956849 0.00316774 0.00452941 0.00244660 +H 0.55690420 5.98131590 5.00465680 0.00515111 -0.00934041 -0.02135463 0.12603056 -0.08154903 -0.00242686 0.00911911 -0.01526137 -0.01856984 +C 2.80206706 6.46595394 7.21363586 -0.00635526 -0.00005112 0.00099162 -0.00640910 -0.02005022 0.00436057 0.00846412 -0.00513104 -0.00172347 +H 2.76660061 5.41021730 3.88146709 0.00361822 0.00348179 0.00742020 0.00565466 0.10061604 0.08947359 -0.01941916 0.00559495 -0.02673944 +C 4.22261675 6.50696566 7.35370569 0.00211027 0.00153760 -0.00795860 0.01597962 0.02880632 -0.06665913 -0.00093457 0.00586019 -0.00977606 +H 2.11509314 6.56779732 8.08316686 0.02303565 0.00058312 0.03018497 0.18016209 0.01497546 0.06618480 0.00495067 0.00273497 0.00312328 +C 5.11811693 6.50756581 6.18816698 0.00096176 0.00356162 -0.00761036 -0.02878216 0.01314615 -0.02386766 -0.00415247 0.00097302 0.00086954 +H 4.65436846 6.70367507 8.33752141 0.00243973 -0.00623394 0.00367206 -0.02534831 -0.03911936 -0.07133216 0.00023468 0.00021960 -0.01212887 +C 4.50600865 6.16747251 4.93843323 0.00560468 0.00243275 0.00153084 0.03721694 0.01120178 0.00934467 0.00044982 0.00014211 0.00143998 +N 6.44777093 6.78613236 6.39939582 0.00292715 -0.00459204 -0.00454389 0.02607579 -0.01891395 -0.01221474 0.00284653 -0.00090369 0.00056025 +C 3.15493941 5.83150444 4.87367982 0.00091176 0.00091649 0.00348361 -0.00430982 0.00909662 0.01358983 0.00221878 0.00363689 0.00262519 +H 5.09753928 6.07439063 3.98714086 -0.00987321 0.00673447 0.00489654 0.01320186 0.04748441 0.05535827 0.02872007 0.00349638 -0.01250079 +C 7.43379993 7.20190789 5.60338024 0.00144057 -0.00035556 0.00620015 0.02718917 -0.01103326 -0.00407891 0.00499441 -0.00281417 -0.00419820 +H 6.73486289 6.88173345 7.35190124 0.01583038 0.01422812 0.00341719 0.00230983 0.02705589 -0.02441560 -0.01212734 -0.00642940 -0.00220209 +O 7.42666824 7.19232062 4.32845636 -0.00760559 -0.00430911 0.00379379 -0.05466876 -0.02736273 0.05540863 -0.00738548 -0.00333356 0.00990656 +C 8.71696638 7.66177782 6.34376424 0.00121834 0.00458046 -0.00123423 0.00314153 0.02853796 0.00841917 -0.00104325 0.00299561 -0.00052169 +H 9.26044849 8.41922345 5.77109805 -0.02083090 0.01786042 0.00170045 -0.08114494 0.05105252 -0.03392499 0.00213713 -0.00388728 -0.00733360 +H 8.38369068 8.26340485 7.26049803 0.02099316 -0.00862670 0.01624868 0.14823179 -0.13914655 0.02950657 0.00552807 -0.00626343 0.02579938 +H 9.41526688 6.86736376 6.68189044 0.00693461 -0.02420486 0.01728828 -0.10069872 0.01383216 -0.05429502 -0.01064782 0.00784977 -0.02835093 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.06244289 5.79449562 5.83666827 -0.01150611 -0.00167063 -0.00286660 -0.08471709 -0.01317037 -0.02498737 -0.01050531 -0.00022458 -0.00316025 +C 2.33853509 6.16869166 5.85173844 0.00161551 -0.00081975 -0.00035652 -0.01696926 -0.03592559 0.00353486 -0.00762940 -0.00766618 0.00186424 +H 0.88396483 4.98649199 5.31529778 -0.00864063 0.00076133 -0.01254506 -0.05009291 0.03353062 -0.05078371 -0.01278257 -0.01711434 -0.01904257 +C 2.62624057 7.42814037 6.28466766 0.00158137 -0.00466665 0.00262903 0.02804561 -0.00333424 0.01757282 0.00695839 0.00258095 0.00159965 +H 2.98407460 4.21797893 5.34567679 -0.00452713 0.00594468 0.00925821 0.03504935 -0.05995341 0.00879188 0.01743433 -0.00361306 -0.00542086 +C 3.97267551 7.76150705 6.35517429 0.00971371 0.00322358 -0.00096946 0.03915072 0.05847817 -0.00242010 0.00176013 0.01028381 0.00072916 +H 1.86942537 8.17288998 6.48775925 -0.00324240 0.01520650 0.00214673 0.03119996 -0.03302046 0.01410119 0.00436317 -0.01621648 0.00587169 +C 4.99807919 6.90262546 6.03110645 0.00434767 -0.00000743 0.00286578 0.01926494 -0.01876137 0.00048695 -0.00002034 -0.00396227 -0.00240135 +H 4.11138379 8.81829899 6.48789826 0.00970228 0.01613634 0.02112171 0.14767095 -0.00960013 0.19229961 0.02625454 -0.01306984 0.02711645 +C 4.67451987 5.59177993 5.61351155 -0.00223526 -0.00547143 -0.00118831 -0.01843720 -0.03488510 0.00752308 -0.00072086 -0.00364302 0.00242312 +N 6.24684748 7.44694790 6.02527720 -0.00478556 0.00279287 -0.00088329 0.00825728 0.02699688 0.00820635 0.00643947 0.00493488 0.00341204 +C 3.31487449 5.20191288 5.58066029 0.00023870 -0.00257089 -0.00120595 0.00166340 -0.00636096 -0.00971842 -0.00119150 -0.00181499 -0.00159623 +H 5.40518125 4.81429084 5.46983615 -0.01470586 0.00048795 -0.01302120 -0.00677794 -0.00895477 -0.15882243 0.00317130 0.00312270 -0.02363120 +C 7.45639925 6.90040194 5.79036652 -0.00234473 0.00691967 0.00319139 -0.01063410 0.01003894 0.02882264 0.00209823 -0.00520395 0.00494824 +H 6.37467349 8.28310672 6.53461281 0.00894168 0.00509182 0.00594768 -0.05129854 0.08794418 -0.05744474 -0.02147571 0.01066175 -0.02642801 +O 7.62611952 5.71713131 5.55766789 -0.00267433 -0.00614600 0.00161232 -0.02196205 -0.03170194 0.00663939 -0.00372393 -0.00134727 0.00075037 +C 8.69068704 7.71175438 6.04181715 0.01153839 0.00603383 -0.00278034 0.06644290 0.04849806 -0.00906815 0.00849225 0.00588902 -0.00720965 +H 8.52767503 8.55488508 6.79387509 0.00909471 0.00365112 -0.00300385 0.08848846 -0.04283996 -0.03180066 0.00861888 0.01812350 0.01535193 +H 9.49435797 7.04518445 6.29956073 0.02041741 0.02323824 -0.00058164 0.15086507 0.13795804 0.07227832 0.00803469 0.02030178 0.01033089 +H 9.03825009 8.17446401 5.21331464 -0.01687104 -0.01672993 -0.00318379 -0.05980835 0.02052822 -0.24914172 -0.01339482 -0.00368052 0.00243204 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96840582 5.68834922 5.76236042 -0.00064198 0.00217353 -0.00028656 0.00242456 0.02121138 0.00270786 0.00008373 0.00386008 0.00344766 +C 2.30226860 6.00003429 5.79161657 -0.00599681 -0.00347823 0.00322463 0.01236787 -0.01788974 -0.01180909 0.00844838 -0.00081793 -0.00432332 +H 0.71841120 5.68450072 6.64967714 -0.00218764 0.02448977 -0.01852356 -0.15414308 0.15708959 -0.01717845 -0.02078191 0.01781523 -0.02888931 +C 3.08006350 5.71220849 4.60058230 -0.00206947 0.00114440 -0.00152516 -0.02280575 0.00663962 0.00235787 -0.00357887 -0.00106251 0.00150423 +H 2.34854888 7.00463901 7.65168129 -0.01759215 0.01744179 -0.00652455 0.04915021 0.08498191 -0.01000443 0.02936370 0.00157790 0.00304142 +C 4.49698849 5.94653156 4.56830626 0.00131712 0.00434354 -0.00227103 -0.03172666 0.01188199 -0.01861725 -0.00869670 -0.00154449 -0.00472492 +H 2.55264595 5.42156030 3.71475263 -0.01488757 -0.04664193 -0.00543539 0.03946464 -0.28300990 0.12054239 0.02271920 -0.02231634 0.03491502 +C 5.12127791 6.51462447 5.68436221 -0.00111660 -0.00674924 -0.00325267 0.00744485 -0.04928317 -0.02438524 0.00210313 -0.00590675 -0.00224096 +H 5.05191633 5.65547816 3.72336380 0.01075769 -0.00592073 -0.00379005 0.01088202 0.01317666 -0.03532230 -0.02014154 0.01192494 0.00823791 +C 4.41319352 6.85145034 6.85046698 0.00105247 -0.00290197 -0.00497788 -0.02619476 0.00732956 -0.03450119 -0.00657054 0.00425223 -0.00541286 +N 6.46770493 6.71478816 5.46186084 0.00023127 -0.00075261 0.00023073 0.00064935 -0.00457395 -0.00623448 0.00119385 -0.00101040 -0.00275762 +C 2.98435037 6.65847431 6.86392659 0.00478993 -0.00185453 0.00352472 0.00872172 -0.02717804 0.01265557 -0.00321298 -0.00537027 -0.00091723 +H 4.82062449 7.49327528 7.59346813 0.00125488 0.03517825 -0.00316910 -0.02809639 0.01436809 -0.05128584 -0.00679201 -0.02755604 -0.00961996 +C 7.38155638 7.24516399 6.22359609 0.00247287 -0.00201707 0.00783645 0.02098321 -0.01427970 0.03816961 0.00273017 -0.00157272 0.00269716 +H 6.75535544 6.58505605 4.52056798 -0.00872154 -0.00396942 0.00912381 0.01891887 -0.09520878 -0.01983489 0.00890863 -0.01661924 0.00616246 +O 7.06965042 7.65098906 7.30197027 0.00188298 0.00281730 0.00346306 0.02731419 0.02970590 0.04959431 0.00585562 0.00516485 0.00993099 +C 8.80485762 7.39591000 5.68546730 0.00204172 0.00113722 -0.00181615 0.01233427 0.02728092 -0.01168465 0.00079547 0.00269032 -0.00086780 +H 9.02897469 8.48394455 5.55900134 -0.00892944 0.02329467 -0.00710116 -0.05737714 -0.02912419 0.02518292 0.00273131 0.00077719 0.01536588 +H 9.50931002 6.99645294 6.37615368 0.00301330 -0.02185157 -0.01600136 0.04481178 -0.11495615 -0.06843163 -0.00120408 0.00078124 -0.01969389 +H 9.04558410 6.90371962 4.74005588 -0.01530369 0.03285861 -0.01105477 -0.17974011 0.16938430 -0.11743627 -0.03055277 0.01561024 -0.01332269 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97046735 5.79920396 5.84160610 -0.00418849 -0.00221620 -0.00025908 -0.02867213 -0.01955209 0.00704892 -0.00284810 -0.00348455 0.00301548 +C 2.32505061 6.00052048 6.02130855 0.00328274 -0.00430877 -0.00525499 -0.00468093 -0.01824315 -0.07447532 -0.00481981 -0.00170245 -0.01105889 +H 0.51300916 5.92767450 5.03920190 -0.04362512 -0.01191031 -0.00240722 -0.06556134 -0.04024795 0.04818062 0.01482205 0.00273549 -0.00000869 +C 2.99161996 5.52721743 7.11009100 0.00257449 0.00926546 0.00403374 0.05063985 0.07219844 0.02404600 0.00660687 0.00750497 0.00559007 +H 2.51634335 7.09142899 4.12077974 0.00607312 0.00358588 -0.02360294 0.07611542 -0.08481795 -0.03356576 -0.00607155 -0.01140941 -0.01145626 +C 4.36838936 5.83616426 7.21803848 0.00603580 -0.00330732 -0.00060833 0.05317021 -0.03030708 0.00668904 0.00851680 -0.00376973 0.00021216 +H 2.53745564 5.01547462 7.85565339 0.03285008 0.02035266 -0.01267936 0.00157553 -0.00572089 0.14694487 0.00127981 0.01785737 -0.00395621 +C 5.10968416 6.46261932 6.18982142 -0.00519854 0.00384185 0.00091233 -0.02062595 0.03411903 0.00399192 0.00019193 0.00492463 0.00072888 +H 4.89489477 5.54575563 8.14087089 0.02520833 -0.01884996 -0.01060192 0.09962879 -0.10953703 -0.10426854 0.01133183 -0.01691577 0.00086359 +C 4.43386568 6.81847223 5.01169648 -0.00049223 -0.00542790 0.00147284 -0.02279377 -0.02485138 0.01509775 -0.00719190 -0.00044557 0.00139144 +N 6.44201267 6.81226337 6.41076056 0.00084179 -0.00021900 -0.00639958 -0.00575028 -0.01976037 -0.04539929 -0.00062108 -0.00550562 -0.00571906 +C 3.06559962 6.64087838 4.97495795 -0.00406431 0.00677912 0.00405366 -0.05253781 0.04671951 0.00840046 -0.00683373 0.00517687 -0.00117807 +H 4.85327834 7.38244122 4.18636961 -0.02796064 -0.01446744 0.00131850 -0.01294232 -0.08375896 -0.03600060 0.02239623 -0.01231498 -0.00450580 +C 7.36487921 7.31965850 5.62436149 0.00692962 0.00100222 -0.00137246 0.05357957 0.01285954 -0.01599188 0.00506807 0.00132600 -0.00116263 +H 6.84552635 6.46087894 7.26405793 -0.00795486 -0.01873624 -0.03275524 -0.02540513 -0.12557561 -0.05519248 -0.00408523 -0.00791996 0.00210927 +O 7.25840264 7.70160139 4.45280077 -0.00030836 -0.00081283 0.00078899 -0.00728279 -0.00653217 0.00679970 -0.00114001 -0.00056612 0.00038105 +C 8.73052292 7.42477399 6.26785988 -0.00015892 -0.00062364 0.00950941 0.00514218 0.00637454 0.05094720 0.00007038 0.00218895 0.00705339 +H 9.27080804 6.45136248 6.31738144 -0.01504784 0.01338840 0.00698739 -0.10575069 -0.02315646 0.12986343 -0.00758563 -0.02451696 0.02705506 +H 9.39487422 8.00502231 5.56448950 -0.01677312 -0.01464588 -0.00921467 -0.09018071 -0.04564221 0.02338265 0.01377374 0.01344270 0.00074700 +H 8.67489126 7.93335123 7.21002832 0.00075383 0.00635947 0.01159235 0.03559855 0.02895810 0.06882535 0.00690055 -0.00132286 -0.00407034 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00525614 5.76285915 5.76641595 -0.00768746 -0.00208534 0.00055854 -0.04695013 -0.00845225 0.00344250 -0.00432773 -0.00014291 0.00013924 +C 2.27988046 6.17526888 5.88976968 0.00144449 0.00501897 0.00228618 -0.00248589 0.02800932 0.02423261 -0.00247861 -0.00094231 0.00358054 +H 0.99806455 5.09390441 5.14416797 0.01193674 -0.01617656 0.00087633 -0.02028629 -0.07863809 0.06907481 -0.01802223 0.00315658 0.02684439 +C 2.63961625 7.43972532 6.40727504 0.00049255 0.00570127 0.00859115 0.01042362 0.01019366 0.03516974 0.00036867 0.00027979 0.00157391 +H 2.96737024 4.23316149 5.37696491 -0.02913417 -0.00978141 -0.01440036 -0.13039282 0.01798247 -0.13316489 0.00124192 0.01060731 -0.01853581 +C 3.99377233 7.81356132 6.39302432 0.00293533 -0.00027078 -0.00994046 0.01487227 -0.00515580 -0.06402020 0.00157320 -0.00036073 -0.00665000 +H 1.84930335 8.03296322 6.78914065 0.01312012 -0.00997421 -0.02089079 -0.01524955 0.15199172 -0.04923618 0.01129550 0.02478991 -0.00057424 +C 4.99369077 6.90925480 5.90125149 -0.00279592 -0.00605314 -0.00287353 -0.00190333 -0.03143033 -0.01229333 0.00461240 -0.00155618 -0.00091846 +H 4.19349802 8.78982869 6.74310283 0.00749608 0.00076577 0.01403529 0.11450345 -0.03546529 0.02283033 0.01729213 -0.02101423 -0.01702202 +C 4.61867165 5.54711580 5.55517685 -0.00293739 -0.00623709 -0.00868692 -0.01321877 0.00008084 -0.04493909 -0.00142999 0.00559127 -0.00315577 +N 6.28685369 7.45330422 5.89405554 0.01045885 0.00389927 0.00598222 0.04505005 0.00698201 0.03600662 -0.00219314 -0.00224522 0.00435799 +C 3.23566261 5.25456033 5.55567015 -0.00019120 -0.00556787 -0.00006390 0.00982243 -0.05931048 -0.00714440 -0.00013684 -0.00768900 -0.00179932 +H 5.39430119 4.78567947 5.27864954 -0.00427820 0.00554750 0.01909034 -0.03504551 0.00288967 0.07755265 0.00900528 -0.01688240 -0.00664649 +C 7.49936399 6.84842694 5.88108210 -0.00165642 0.00319640 0.00264901 0.00471786 0.03186555 0.01828820 0.00534271 0.00316003 0.00215224 +H 6.42307835 8.47122324 5.86926179 -0.02252584 -0.00082662 0.00995885 -0.17504179 0.00414670 0.10767614 -0.01168853 0.00581597 0.01932298 +O 7.72982292 5.67536065 5.85066827 -0.00296970 -0.00048948 0.00061624 -0.02977836 -0.01874467 0.00423555 -0.00554575 -0.00314131 0.00064547 +C 8.70317102 7.74967161 5.90908522 0.00374197 0.00386003 0.00023575 0.02499299 0.03165874 -0.01125182 0.00720627 0.00452522 -0.00021007 +H 8.40636927 8.77362367 6.13435481 0.00655331 -0.00160762 -0.00858650 0.04591550 0.06152140 -0.06703409 0.00578165 0.01291154 -0.00807098 +H 9.32758806 7.45107294 6.64510970 0.00941794 0.00887347 0.00815633 0.13008878 0.02422310 0.07584708 -0.01289380 0.01492424 -0.02847724 +H 9.14837219 7.66669671 4.94127188 0.01891620 0.01406059 -0.01703918 0.11466131 0.11555843 0.01251951 0.00575123 0.01317409 0.02481197 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04600110 5.64613053 5.74325756 -0.00434624 -0.00024759 0.00014776 -0.03600672 -0.00784401 -0.00206915 -0.00607321 0.00011434 -0.00009842 +C 2.30551372 6.13472114 5.83908051 -0.00588195 0.00117902 0.00948817 -0.03879410 0.00216869 0.06423875 -0.00270097 -0.00174081 0.00749159 +H 1.07372777 4.73434740 5.52444122 -0.01191942 -0.02620951 0.00390207 -0.11218992 0.00715026 0.06781673 -0.01715787 -0.00125038 0.00948838 +C 2.57372494 7.47344294 6.20267134 -0.00611287 0.00587762 -0.00577574 -0.01801566 0.01963724 -0.03434634 -0.00111497 0.00070199 -0.00287137 +H 3.20546588 4.18269415 5.26481703 -0.01256954 -0.01341302 -0.01385301 -0.08332321 0.10392982 0.07357566 -0.01167610 -0.00048222 0.01464581 +C 3.92240691 7.86929364 6.40659647 -0.00188846 -0.00082859 -0.00373301 -0.00948476 -0.01774697 -0.02533759 0.00143859 -0.00003249 -0.00267222 +H 1.77843679 8.17577770 6.37070831 0.01938123 -0.01480855 -0.00165713 -0.05663809 0.05000198 0.00719231 -0.01347460 0.01212254 -0.00385673 +C 4.98534179 6.97013146 6.21028020 0.00898157 -0.00269460 0.00103813 0.04049433 -0.00294674 -0.00795887 0.00065175 0.00120579 -0.00279844 +H 4.11873747 8.81980759 6.76439653 0.00645637 -0.01946321 -0.01513284 0.04997878 0.09408429 -0.08115365 -0.00569737 -0.00178067 -0.02075436 +C 4.64405539 5.69634929 5.79640367 0.01275497 0.00073314 0.00114177 0.08919931 -0.03762129 0.01183020 0.00919074 -0.00979726 0.00121669 +N 6.32056390 7.38881313 6.26844983 -0.00177645 0.00109656 0.00307911 0.00044734 0.01340402 0.03686181 0.00411085 0.00238637 0.00629694 +C 3.33268083 5.22388385 5.66494450 0.00187859 0.00314895 -0.00094807 0.03009441 0.01895929 -0.02297110 0.00630091 0.00667761 -0.00278007 +H 5.45857007 4.97136661 5.74731965 0.02093648 -0.00269682 -0.01460524 0.04484518 -0.00372855 -0.18103378 0.00386985 -0.00915636 -0.03096069 +C 7.46190064 6.87007883 5.80253442 -0.00547372 -0.00566323 -0.00069394 -0.00815245 -0.06597283 -0.03562878 0.00252110 -0.00544235 -0.00384149 +H 6.47420580 8.16066329 6.83395431 0.01148927 0.02078620 0.00071076 0.02095832 0.10253893 -0.05537534 -0.00914477 -0.00816055 -0.02363932 +O 7.59449990 5.83668746 5.01704074 0.00321851 0.00576715 -0.00167524 0.00487972 0.05999582 0.00897580 -0.00162774 0.00756670 0.00138131 +C 8.76240874 7.58583739 6.11021681 -0.00101576 -0.00623585 -0.00171883 -0.01204408 -0.02315960 0.00099185 -0.00402033 -0.00378564 0.00036379 +H 8.97773746 7.79171922 7.19032787 -0.01026519 0.00305476 0.02436681 -0.13986752 -0.05174621 -0.06066737 -0.02100205 -0.01271978 -0.00494442 +H 9.62288625 7.07595880 5.66039371 0.00359002 0.00500783 0.00383879 0.02091293 -0.01042201 0.05854904 0.00377564 -0.00415484 0.01038907 +H 8.73767736 8.54812194 5.52082860 -0.02314996 -0.00167742 0.00820393 -0.13023057 -0.03463239 0.13528229 -0.01055480 0.01603616 0.01197028 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99173557 5.85179228 5.77900015 -0.00484820 0.00156824 -0.00048974 -0.04137769 0.01214013 0.00164846 -0.00487314 0.00145791 -0.00010365 +C 2.33131828 6.00014842 5.73092393 -0.00278920 -0.00009444 0.00198934 0.01474123 -0.02008259 0.00805110 0.00468819 -0.00478117 0.00079343 +H 0.58819517 6.07757350 6.58832870 -0.01964234 0.02696564 0.00927828 -0.03956928 0.15783348 -0.07423079 -0.00020405 0.02448164 -0.01463050 +C 3.11933607 5.33906077 4.73964715 0.00585935 -0.00119637 0.00268944 0.02337359 0.00846590 0.00021216 0.00172477 0.00385665 -0.00115821 +H 2.37118481 7.27209006 7.44253825 0.01411811 0.00312677 0.01866003 0.16176835 -0.00129869 0.04236973 0.00527012 0.00966531 0.01345554 +C 4.52790078 5.56835089 4.69817236 0.00512201 0.00041518 -0.00939961 0.02433674 0.00027719 -0.03792410 0.00364730 0.00052404 0.00072657 +H 2.61321323 4.87002465 3.89393655 -0.01449624 -0.01390410 -0.01221345 0.03460264 -0.07576544 0.11809240 0.01269308 -0.01752739 0.02376123 +C 5.13959261 6.28734879 5.74035808 0.00510358 0.00233006 0.00321063 0.04389257 0.02444403 0.01511653 0.00376537 0.00329203 -0.00016959 +H 5.08407947 5.23293362 3.83503959 0.01620733 -0.01303854 0.00720771 0.09545686 -0.12127582 0.05271674 0.00309551 -0.01626768 0.00900903 +C 4.38587949 6.91732353 6.74549271 -0.00391167 -0.00217401 0.00464004 -0.02081167 -0.00219250 0.00382986 -0.00171950 0.00073480 -0.00382086 +N 6.51580564 6.53860155 5.62893082 0.00243631 -0.00308298 0.00444947 0.00377570 -0.00500516 0.03683349 -0.00097120 0.00100995 0.00461434 +C 3.01016144 6.74699040 6.70464427 0.00624291 -0.00016752 -0.00232906 -0.00290424 0.00636681 0.00776033 -0.00507514 0.00014279 0.00211326 +H 4.77730179 7.79940147 7.27475482 -0.03566208 0.01763049 -0.00273655 -0.15740247 -0.07217032 0.12954480 0.00612531 -0.02596149 0.04232289 +C 7.33800279 7.43129187 6.25012932 -0.00071706 0.00273430 0.00077820 -0.01980176 -0.00357243 -0.01014599 -0.00274692 -0.00370916 -0.00356693 +H 6.95427951 6.07437383 4.83271216 -0.03349871 0.01940556 -0.00390558 -0.10718865 0.05094698 -0.05361580 0.00688694 -0.00167800 -0.00284266 +O 7.03530830 8.28708440 7.10634818 -0.00458496 -0.00152756 -0.00245267 -0.02697017 -0.01712632 -0.02178147 -0.00334048 -0.00295648 -0.00337850 +C 8.71211192 7.27511750 5.69615017 0.00261332 -0.00381593 -0.00191313 0.02447248 -0.00228362 -0.01036194 0.00152496 0.00267723 0.00001873 +H 9.30787855 6.72283900 6.46655994 -0.00890911 -0.01333940 -0.02679273 0.03079129 -0.10551436 -0.14494109 0.02350980 -0.02282238 -0.00621079 +H 8.74644192 6.67731540 4.73437776 -0.00279592 0.02989068 -0.00894047 -0.00768118 0.22831567 -0.06501574 0.00050041 0.02186717 -0.02886540 +H 9.13613980 8.30128781 5.53635896 -0.00825383 0.00891633 0.00829732 -0.01865388 -0.04848949 0.08236453 0.01676646 0.00537837 0.01548518 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01385573 5.67376243 5.85743521 0.00168360 0.00388767 -0.00036634 0.00517813 0.02687890 -0.00210695 -0.00119138 0.00325435 -0.00111317 +C 2.32119708 6.03880142 5.93274191 0.00117169 -0.00192631 0.00662745 0.00405244 -0.00774899 0.04182141 0.00156530 0.00000631 0.00358007 +H 0.79497087 5.39167075 5.01966582 -0.02359762 0.01724704 -0.00314196 -0.13007995 0.11032886 -0.00310813 -0.00205946 0.02096035 0.02090402 +C 2.79939865 6.70906892 7.06875534 0.00316211 0.00389396 -0.00141515 -0.00768350 0.03516334 0.00304606 -0.00303455 0.00356910 -0.00123432 +H 2.93830324 5.28629490 3.92626608 0.00959798 0.00086545 0.00750660 -0.02618520 0.03004355 0.09480045 -0.01681575 -0.00287176 0.00124140 +C 4.11526765 7.14982586 7.19146868 -0.00256230 -0.00500794 -0.00509753 -0.01582175 -0.01858324 -0.02764694 -0.00184034 -0.00186150 -0.00470152 +H 2.07700599 7.08457228 7.88588058 0.00578989 -0.00468498 0.00024596 0.05859968 -0.14486617 -0.03475997 -0.02460718 -0.01467657 0.03323084 +C 5.03600668 6.89957162 6.17529410 -0.00235359 0.00114982 -0.00389161 -0.00990085 -0.00860961 -0.01360990 -0.00033257 -0.00364055 -0.00079553 +H 4.34416802 7.80031030 8.10335363 -0.01184310 -0.02249197 -0.00682898 0.01635661 -0.19532394 -0.03184292 0.02510935 -0.00678471 0.03238587 +C 4.56030418 6.20386218 5.04728603 0.00192433 -0.00028048 0.00497487 -0.00130590 -0.01963957 -0.01733390 -0.00053465 -0.00465234 -0.00930448 +N 6.36548494 7.20863600 6.43065034 -0.00342562 0.00156784 0.00080469 -0.01927054 0.01283501 -0.01019180 -0.00305289 0.00059271 -0.00461201 +C 3.17458107 5.82394402 4.86874856 0.00200726 -0.00052797 0.00550571 0.05496808 -0.00632271 0.04269003 0.00981686 -0.00111557 0.00838087 +H 5.19246787 5.95643705 4.25086809 -0.00709361 -0.02359306 -0.04431325 -0.08790254 -0.06233766 -0.06371280 -0.01057237 0.00850719 0.02821850 +C 7.48443772 6.97001625 5.70547650 -0.00374866 -0.00480387 -0.00411299 -0.04773286 -0.04028632 -0.04117470 -0.00689481 -0.00294325 -0.00369091 +H 6.51710217 7.79749920 7.26609464 -0.02381927 -0.02379792 0.00324158 -0.09121483 -0.11297310 0.06611526 0.00600431 -0.00205958 0.01756602 +O 7.44850372 6.17589031 4.71558689 0.00642601 0.00251255 -0.00273357 0.05339413 0.02832532 -0.00878374 0.00783083 0.00386856 -0.00168400 +C 8.72899644 7.72203871 6.09452828 -0.00164501 -0.00026663 0.00033944 -0.01901675 -0.01582124 0.00515970 -0.00434136 -0.00203450 0.00423852 +H 9.10208272 8.33573944 5.28124434 0.01122348 0.00398009 0.00252568 0.03369922 0.04194512 0.06524251 -0.00312773 0.00089604 0.01527297 +H 8.45242882 8.22443646 6.96493288 -0.01390635 -0.00479840 0.00697890 0.01817447 0.08937194 0.04206668 0.01705022 0.01109423 -0.02623060 +H 9.46113413 6.91883428 6.28085202 -0.00310814 0.02648076 0.03689024 0.05238364 0.16453410 0.26366298 0.01274054 0.01464257 0.02792533 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97920207 5.75760278 5.89786731 -0.00356398 0.00228843 -0.00101357 -0.01284813 0.01276081 -0.01797466 -0.00036161 0.00106641 -0.00559376 +C 2.31422660 6.06173385 5.96935339 -0.00546630 0.00139531 0.00268653 -0.01815703 -0.00386045 -0.01323644 0.00128729 -0.00171946 -0.00454147 +H 0.80488101 5.54480204 5.02852077 0.02717877 0.00860124 -0.01250393 0.06481770 0.01496798 -0.04894889 -0.00867664 -0.00021220 0.01833022 +C 2.69347857 6.95681851 6.93997600 0.00254011 -0.00330942 0.00300620 0.02202674 -0.02357129 0.03408586 -0.00007278 -0.00280297 0.00874585 +H 2.99923964 4.84026185 4.25367770 0.00008070 0.01276893 -0.02685078 0.02384377 0.14971263 -0.07015599 0.00110097 0.01431732 -0.00056583 +C 4.03337285 7.34221035 7.00299500 0.00568225 -0.00231018 -0.00550568 0.03163084 -0.01251702 -0.00955584 0.00318352 -0.00127498 0.00283769 +H 2.06159795 7.23490791 7.65263442 -0.01565837 -0.00367422 0.01592163 -0.08493455 0.01018562 0.08521634 0.03279581 -0.00921349 -0.03092053 +C 4.96978935 6.91837280 6.05724684 -0.00186003 -0.00204438 -0.00595613 0.03628544 0.00068167 -0.03572271 0.01063767 0.00314151 -0.00199032 +H 4.35660358 7.84854016 7.87525830 -0.00422870 -0.00738012 0.02507069 -0.02344451 0.01880359 -0.00397985 0.00088625 0.01070018 -0.02892757 +C 4.64363366 5.98296032 5.04652490 0.00360236 -0.00070784 -0.00142361 0.00148898 0.00943700 0.01046134 -0.00057521 0.00154380 0.00156897 +N 6.28879214 7.43228529 6.17617657 0.00392372 -0.00028568 -0.00042126 0.00996652 0.00759889 0.01021367 -0.00249895 0.00074620 0.00166582 +C 3.29407703 5.57062437 5.00729788 0.00468703 -0.00239542 0.00466840 -0.00138126 -0.01917853 0.03132630 -0.00419052 -0.00148442 0.00391887 +H 5.36516367 5.65224820 4.37344671 0.02025939 0.02268603 0.02208251 0.08389907 0.03467440 -0.02497979 -0.03062234 -0.00411821 -0.00848036 +C 7.45459440 6.93598315 5.78177448 -0.00921611 -0.00055749 -0.00128627 -0.03240678 -0.00192519 -0.02718676 0.00274736 0.00154508 -0.00527564 +H 6.52763957 8.26985046 6.71025426 0.01547600 0.01822619 -0.00354263 -0.11613797 0.02224090 -0.05019527 -0.03592891 0.00937188 0.00283185 +O 7.59612748 5.92706672 5.11904000 -0.00358938 -0.00202462 0.00218006 -0.02982731 -0.02569389 0.01375288 -0.00475852 -0.00530265 0.00163452 +C 8.71636104 7.69410565 6.04301253 -0.00009266 0.00421458 0.00056158 0.01098833 0.03890491 0.02491758 0.00147045 0.00201676 0.00345096 +H 9.32801642 7.60005046 5.14803563 -0.00265382 -0.00367068 -0.00394758 0.00948861 0.01608879 0.02362278 0.00446930 0.00574167 0.01292682 +H 8.67752245 8.77543300 6.38776308 0.02058636 0.03336021 -0.00891925 0.01885027 -0.01875092 -0.16604828 -0.01614898 0.00506536 -0.02044829 +H 9.23156646 7.18771893 6.85407949 -0.00055591 -0.01303899 0.01874182 -0.03897993 -0.00490876 0.00074864 -0.00451574 0.01371387 -0.00889733 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99718405 5.86966154 5.78544226 -0.00074397 0.00246543 -0.00238988 -0.01738002 0.00165608 -0.02162855 -0.00357082 -0.00067210 -0.00329392 +C 2.32829796 6.08253062 5.85321884 -0.00089489 0.00628449 0.00387784 -0.01879353 0.04273024 0.02259150 -0.00390275 0.00128142 0.00143920 +H 0.68570651 5.07773543 5.41539294 -0.00630699 -0.02204767 -0.00037174 0.07469225 -0.04292744 0.05852403 0.02091782 -0.00543391 0.01126635 +C 2.66803678 7.42380258 6.14666790 0.00566099 -0.00425647 -0.00713817 0.01736340 -0.02565925 -0.04417139 -0.00235468 0.00390112 -0.00321978 +H 3.15274770 4.06818791 5.50396881 0.02375907 -0.00858066 0.00573460 0.01130608 0.00000123 0.05791017 -0.02158275 0.00830061 0.00808323 +C 3.95290617 7.84170312 6.27066402 0.00312693 -0.00087762 0.00276644 0.05881645 -0.02257013 0.02439312 0.00844476 -0.00535796 0.00355863 +H 1.90022831 8.07315385 6.30650876 0.01178049 -0.01609378 -0.00013989 -0.04209235 0.05946032 -0.00350653 0.01671166 -0.00305044 -0.01210634 +C 5.02414934 6.87675619 6.12363073 -0.00445532 -0.00200847 -0.00073221 -0.04759235 0.00070537 -0.00997295 -0.00307272 -0.00043798 -0.00180879 +H 4.15588381 8.88334616 6.58045532 0.00143715 -0.01456456 0.01054910 0.03422455 -0.04648006 0.02805386 0.01342822 0.01330197 0.00135605 +C 4.65842884 5.54328336 5.82674784 -0.01143129 0.00083304 0.00114453 -0.04014613 -0.00882874 0.02206468 -0.00033171 -0.00335701 0.00369863 +N 6.30910153 7.33524834 6.29373023 0.00397044 -0.01044237 -0.00161087 0.01962735 -0.05926004 -0.00129177 -0.00192827 -0.00708749 0.00094471 +C 3.30237173 5.11539857 5.70227884 -0.00374635 0.00165328 0.00470933 0.00077656 0.00586463 0.02870905 0.00114448 0.00116473 0.00403290 +H 5.51465916 4.91322113 5.94297259 0.01288170 -0.02521172 -0.01588999 -0.18628446 -0.14321192 -0.24108814 -0.04869507 -0.00951055 -0.04198092 +C 7.48728817 6.89128716 5.78479870 -0.00353365 -0.00177572 -0.00012136 -0.01552480 -0.01439891 -0.00319634 0.00232308 0.00020204 0.00030129 +H 6.39467260 8.18028486 6.83902663 -0.01155478 -0.00118820 0.01455693 -0.03931612 -0.09779394 0.00953072 0.00715926 -0.01100137 -0.00172032 +O 7.59490793 5.86715350 5.08946052 0.00410631 0.00442654 0.00040297 0.02886893 0.03260275 0.00241470 0.00391730 0.00367662 -0.00048340 +C 8.69774376 7.72155906 6.11475041 0.00313947 0.01049561 0.00461385 0.02326743 0.06530202 0.00318111 -0.00031721 0.00625633 -0.00376244 +H 8.45140813 8.21795397 7.08056927 -0.00227504 0.00993244 -0.02841761 0.09840493 0.14146445 -0.02215242 0.02811926 0.02758372 0.02263501 +H 9.65549690 7.15461821 6.16794768 -0.00394568 -0.01850224 -0.02060491 -0.13138091 -0.07292193 -0.03513945 -0.01044598 -0.00628220 0.01329395 +H 8.90432559 8.50584124 5.37341431 0.01027001 0.00866696 -0.02016980 -0.01449312 -0.03198407 -0.04872961 -0.00735348 -0.00663335 -0.00451934 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98751873 5.79231986 5.91352255 0.00086147 -0.00013379 -0.00281046 0.01048981 -0.00575225 -0.02314702 0.00059975 -0.00394791 -0.00255913 +C 2.32785677 6.08072933 5.89983700 -0.00256684 -0.00168601 -0.00193870 -0.02580262 0.01303009 -0.01576232 -0.00136757 0.00251254 -0.00273231 +H 0.81900711 4.93429764 6.21982549 0.00760787 0.02782163 0.01708457 0.00521001 0.02619973 0.14798736 0.00224810 0.02063921 0.00570841 +C 2.56619324 7.45783383 6.02099924 0.00912156 -0.00603191 0.00071040 0.05625225 -0.03063539 -0.00512181 0.00760147 -0.00289874 -0.00193950 +H 3.12617014 4.13084030 5.47936064 -0.01315005 -0.01750827 -0.00304393 0.00600710 0.02900922 0.00170436 0.01017663 -0.00467297 0.00031298 +C 3.88733009 7.93289741 6.05524960 -0.00460795 0.00398019 0.00122547 0.03052406 -0.01782082 0.01804944 0.01216363 -0.00549052 0.00449666 +H 1.70591407 8.17371794 5.99353311 0.01926581 0.00402790 -0.01658802 0.15704358 -0.01904979 0.00120498 -0.00172868 0.01081421 0.01579046 +C 5.02771620 6.98268263 5.95634060 0.00121979 -0.00593174 0.00261449 -0.02908387 0.01630744 0.00589178 -0.00662283 0.01035219 -0.00115217 +H 4.05302156 8.96244581 6.20863326 -0.00035995 -0.00359817 0.01720690 0.00686877 0.03260013 0.06227416 0.00016184 -0.01408799 -0.00496775 +C 4.74805642 5.63716049 5.65398809 -0.00358479 0.00870646 0.00141171 -0.06547448 0.02114395 0.01065346 -0.01069760 -0.00466071 0.00127019 +N 6.33069111 7.44968566 5.93533292 0.00021097 0.00725353 -0.00229768 0.00319155 0.05328929 -0.02609910 0.00043305 0.00648970 -0.00544523 +C 3.36719477 5.19380917 5.65689781 -0.00104749 -0.00423046 0.00535571 0.00501589 -0.03903872 0.03721595 -0.00074509 -0.00255655 0.00559530 +H 5.46432186 4.92789574 5.41802349 -0.00458550 -0.00835232 -0.00321209 -0.03527677 -0.01801335 0.01145254 -0.02127141 0.02210851 0.01107881 +C 7.50708057 6.83145401 5.86359406 -0.00007667 0.00189902 -0.00549072 -0.01752464 -0.03104714 -0.01636893 -0.00450859 -0.00668431 0.00168513 +H 6.42802851 8.44015983 5.87047411 0.02860696 -0.00013172 -0.03041812 0.09799559 0.04763903 -0.12053289 -0.00724784 0.00359067 -0.00111610 +O 7.60383736 5.56744815 5.79592517 0.00045864 -0.00211375 -0.00241249 0.01326432 0.01435622 -0.01836480 0.00284356 0.00454440 -0.00292682 +C 8.68800967 7.72024722 6.13574767 -0.00451635 -0.00377698 0.00481992 -0.01014626 -0.01607328 0.04632074 0.00028739 -0.00182787 0.00572197 +H 9.44450382 7.62808547 5.34116897 -0.01288646 -0.00039249 -0.00484408 -0.08760464 -0.01199553 0.00712565 -0.00326015 -0.00468671 0.00207176 +H 8.35908228 8.77535625 6.21719547 0.00088471 0.00927796 -0.00013970 0.05663222 -0.03860675 -0.02051282 0.00669391 -0.00280010 -0.00321449 +H 9.12781550 7.43819040 7.11025335 0.02292571 0.00799580 0.03501637 0.04187960 0.07766823 -0.03287886 -0.00010061 0.00354679 -0.01717655 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02483466 5.51303219 5.72248308 0.00256217 0.00053308 0.00329785 0.04196418 0.01667750 0.01807363 0.00802780 0.00348915 0.00215610 +C 2.35131719 5.98028398 5.91879217 0.00102016 -0.00122725 0.01165503 -0.01266363 -0.01466429 0.05452763 -0.00327774 -0.00048843 0.00025841 +H 0.67392885 5.79308286 4.91906928 0.01734552 0.00121066 -0.02051327 0.12624958 -0.03304180 -0.02572081 0.01736950 -0.01041809 0.01130057 +C 3.08995172 5.49476739 7.01787059 0.00130800 -0.00343265 -0.00295262 -0.01094534 -0.03601944 0.00358693 -0.00262503 -0.00613133 0.00565336 +H 2.53655239 7.10739234 4.07860749 -0.00886370 -0.01362358 -0.00002733 -0.10365093 -0.03767496 -0.02418086 -0.02447073 0.00561305 -0.01761848 +C 4.37106431 5.96635694 7.27061620 -0.00571603 0.00057818 0.00224037 -0.00865725 0.00008851 0.01881303 0.00276128 -0.00008283 -0.00014251 +H 2.64413133 4.75263630 7.63371725 0.00292898 -0.01847757 0.01865459 0.04067478 0.01390969 0.08216518 0.00449316 0.01782980 0.00158337 +C 5.07028858 6.70821363 6.33358607 -0.00050877 0.00089470 -0.00717731 -0.00987335 0.00987472 -0.06618653 -0.00262900 0.00066131 -0.00777482 +H 4.91960353 5.68706221 8.15481649 0.00962230 -0.01397586 0.00353989 -0.04045300 -0.12734867 -0.02348952 -0.01430995 -0.01732028 -0.00528526 +C 4.38095620 7.11236971 5.13194503 -0.00599941 0.00725088 -0.00342850 -0.03510386 0.05917308 -0.01989511 -0.00581385 0.00781157 -0.00324085 +N 6.44352681 6.86824710 6.53006284 -0.00220278 -0.00147581 -0.00196843 0.00128062 -0.00825102 -0.02314465 0.00136531 -0.00036624 -0.00622562 +C 3.03699969 6.79710413 5.01309723 -0.00664667 0.00215017 -0.00888592 -0.06472986 0.00015014 -0.05739017 -0.00992924 -0.00313544 -0.00326678 +H 4.76524612 7.73483426 4.34683950 -0.00019307 0.00441007 -0.04238232 0.01916570 -0.10211264 -0.07006927 0.00661814 -0.02134725 0.01602455 +C 7.38959873 7.23510410 5.60236244 0.00531360 -0.00432572 -0.00167556 0.00721017 -0.03511075 0.03446148 -0.00190408 -0.00405978 0.00775150 +H 6.76699510 6.54014070 7.44684897 0.01981509 0.01004547 0.01301129 0.07006337 0.13537616 -0.06310304 0.00244398 0.01584583 -0.00008571 +O 7.12787394 7.56824918 4.47644419 -0.00149153 0.00147696 0.00127214 -0.00209672 0.01183491 -0.00364850 0.00137390 0.00121784 -0.00054636 +C 8.79148142 7.25965331 6.14791594 0.00762077 0.00032186 0.00607563 0.05464965 0.00282538 0.03705846 0.00609627 -0.00117856 0.00192965 +H 9.15139923 6.23274824 6.19782112 0.01535706 -0.02141694 0.02854341 0.09166463 0.05439507 0.14609732 0.01371228 0.02593346 0.00751157 +H 9.33314483 7.83121497 5.39890561 -0.00401904 0.01718339 -0.02596229 0.02483800 0.00393644 0.04746204 0.01703273 -0.01185017 0.03341413 +H 8.79597833 7.77721936 7.16255108 0.00461861 -0.00308702 0.02939084 0.07547814 -0.08229581 -0.03579329 0.01531024 0.00477866 0.00019845 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01592678 5.80775961 5.88278881 -0.00606902 0.00496174 -0.00075704 -0.03044281 0.03235675 -0.00325735 -0.00280191 0.00636420 -0.00172286 +C 2.35201693 5.96046357 5.89780695 0.00310990 -0.00008310 0.00327552 0.00451525 -0.00737643 0.03148348 -0.00369056 -0.00261002 0.00603987 +H 0.76414969 6.55253223 5.39708946 0.01644857 -0.01358267 -0.00330387 -0.09105384 -0.00910158 -0.10851648 -0.02540725 -0.02484364 -0.00007162 +C 3.10351246 5.29462946 6.89528950 -0.00132568 0.00143209 -0.00329464 -0.00124597 0.00547861 -0.01643981 0.00252992 -0.00036456 -0.00013373 +H 2.38456483 7.37201418 4.22197948 -0.00298094 -0.02584858 0.01924311 -0.04429162 -0.12070217 0.07254063 0.00176299 -0.01357856 0.01191623 +C 4.49556950 5.46071525 6.96573865 0.00529766 -0.00022053 0.00731949 0.01557406 -0.00253263 0.04370344 0.00003369 0.00059955 0.00254441 +H 2.57640499 4.65466949 7.62292178 -0.00638298 0.00396112 -0.01447103 -0.02255780 -0.00374055 -0.09001173 -0.00578873 -0.01409482 -0.00016685 +C 5.12720886 6.33077450 6.09902188 0.00014553 0.00383624 -0.00475319 -0.01071560 0.04162106 -0.05417134 -0.00201358 0.00492991 -0.00696501 +H 5.00947295 4.94162103 7.74297343 0.00513280 -0.02035869 -0.00754582 0.07707344 -0.11264766 -0.03820012 0.00674234 -0.00008771 -0.01019316 +C 4.35297777 7.03642516 5.09689087 -0.00328429 0.00040186 -0.00706672 -0.01650203 -0.01209861 -0.02932260 -0.00075390 -0.00162828 -0.00276196 +N 6.49015764 6.48908629 6.21001520 -0.00198826 0.00095572 -0.01074074 0.00988457 -0.00844911 -0.05769529 0.00362212 -0.00159561 -0.00708153 +C 2.94397842 6.85407130 4.97023482 0.00166666 -0.01226631 0.01078909 0.03184695 -0.08370001 0.07649758 0.00502145 -0.00918550 0.00749719 +H 4.89395471 7.67266377 4.43535938 -0.01962428 0.01041703 0.00170232 -0.17523831 0.10737359 -0.07986708 -0.02852616 0.00328714 -0.00975165 +C 7.34793793 7.38995073 5.72033279 0.00400090 0.00343921 -0.00185697 0.03378333 0.01877716 0.00477454 0.00324549 0.00197810 0.00201686 +H 6.92767421 5.84648830 6.85772386 -0.00569553 -0.00957972 0.00507294 -0.06164070 -0.01385178 -0.06844277 -0.00074671 -0.00796538 -0.01126599 +O 6.96612142 8.35155364 5.12680985 0.00430021 0.00379114 -0.00186809 0.03279521 0.04325459 -0.02733531 0.00552573 0.00757206 -0.00522685 +C 8.86453538 7.29175285 6.10134677 -0.00231346 -0.00224722 0.00843635 -0.03105970 -0.04011333 0.06002730 -0.00536200 -0.00703582 0.00983278 +H 8.95565084 6.97027643 7.14053877 -0.00158671 -0.00353673 -0.01238802 -0.07909538 -0.13256008 0.04853207 -0.01963057 -0.03238748 0.01844510 +H 9.40930371 6.52587505 5.53903213 0.01609353 0.00558271 0.00864815 0.06307200 0.10436308 0.00410458 0.00370734 0.01998879 -0.01059396 +H 9.44684546 8.22230731 6.17118794 -0.03265312 -0.03124926 0.04085591 -0.15310950 0.05075895 0.15834835 -0.01388824 0.02933403 0.00507014 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.07197046 5.53399050 5.95641490 -0.00044918 -0.00168125 0.00091260 -0.02167995 -0.01795421 0.00571154 -0.00470915 -0.00394307 -0.00027802 +C 2.30564477 6.03705664 5.94365209 0.00005541 -0.00657828 -0.00065127 0.01850116 -0.02489781 -0.00184197 0.00176801 -0.00067764 0.00150824 +H 0.84296546 4.87967356 5.36273992 -0.00611247 -0.00957119 -0.00180903 0.02972518 -0.02964120 -0.01899824 0.01530249 0.01085757 0.00652134 +C 2.71321924 6.94365293 6.94434583 -0.00905712 0.00048738 -0.00220115 -0.06617842 -0.00814468 0.00175759 -0.00587279 -0.00240787 0.00174491 +H 2.94127441 5.02583661 4.11769413 -0.00136061 -0.00489659 -0.02091305 0.02283317 0.14039475 -0.00970482 0.00053725 0.02543292 -0.00196595 +C 4.07107775 7.28624893 7.12065993 -0.00658835 0.00369093 -0.00136709 -0.06342612 0.03496369 0.00126509 -0.00840506 0.00669736 0.00129434 +H 1.92470499 7.21124343 7.66902301 -0.00496590 0.01286225 0.02182144 0.08842988 0.06422624 0.04034016 0.00186610 0.00741918 0.00313884 +C 5.02324618 6.92446081 6.19341168 0.00586611 -0.00012537 0.00905093 0.01441924 -0.03497007 -0.00882314 -0.00276070 -0.00727008 -0.00710628 +H 4.26596721 7.82295644 7.98908153 -0.00955150 0.02228870 -0.00517698 0.00822395 0.15889673 -0.02989505 0.00039285 0.00379747 -0.02445844 +C 4.53027487 6.20042349 4.97183709 0.00205412 0.00303966 0.00280592 0.03829990 0.04309432 0.05324404 0.00376384 0.00692823 0.01186670 +N 6.35631173 7.27724088 6.41466059 0.00080609 -0.00945753 -0.00868334 0.02718863 -0.05152469 -0.04738776 0.00644420 -0.00483096 -0.00506875 +C 3.22145795 5.71187334 4.91990138 0.00132003 0.00661361 0.00386354 0.00739931 0.02655410 0.01103592 0.00374714 0.00310472 0.00049720 +H 5.17626710 5.99772289 4.07397416 -0.00050087 0.00546451 -0.01334497 -0.03872539 0.02605126 0.10698957 0.01674499 -0.00320098 0.01125991 +C 7.45578041 6.96925424 5.69525057 0.01007370 0.00222679 -0.00319939 0.04799174 0.01381435 -0.02023350 0.00187434 0.00112594 -0.00213518 +H 6.57333225 7.78584514 7.26892953 0.00641080 0.01812651 -0.01954313 -0.02057398 0.08028682 -0.16536676 -0.00765205 0.01157520 -0.01174999 +O 7.41304147 6.34946908 4.63919481 -0.00156374 0.00169322 0.00106991 -0.00041798 0.00940814 0.00185287 0.00203446 0.00080488 -0.00110129 +C 8.82961283 7.42923532 6.23397478 -0.00157931 -0.00256072 -0.00154317 0.00711470 0.00009974 0.01375998 0.00394681 -0.00208414 0.00274062 +H 8.92792752 7.40047623 7.33409700 0.02281270 0.00799089 0.02578117 0.03572806 -0.02335202 -0.05455036 -0.01062801 -0.01981753 -0.01199587 +H 9.65156903 6.88655273 5.84110029 -0.01486514 -0.00476788 -0.00786525 -0.07211097 -0.14178565 -0.08447967 -0.01809991 -0.00941227 -0.00269073 +H 9.16540721 8.47471929 5.91152378 0.00332600 0.00277793 0.02971540 -0.12971340 -0.02535864 0.15635581 -0.02246163 0.02574687 0.00021897 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99738082 5.76192301 5.71628893 -0.00376129 -0.00411859 0.00070942 -0.01065581 -0.02431818 0.00837042 0.00015606 -0.00012302 0.00260372 +C 2.32997038 6.16708545 5.89975520 -0.00386853 0.00201532 -0.00188475 -0.03519599 -0.00692915 -0.02692612 -0.00302737 -0.00360622 -0.00595006 +H 0.91595292 4.84492962 5.41801702 -0.01814313 -0.01778203 -0.01374454 -0.08736286 0.05093151 -0.04212377 -0.00867541 -0.01094035 -0.01403774 +C 2.67829322 7.44443980 6.42686073 0.00381001 0.00064322 -0.00094763 0.01695311 -0.00045820 -0.02159174 0.00218562 0.00069342 -0.00468405 +H 3.06449798 4.27687782 4.97906440 0.03277040 -0.01066889 0.00496507 0.16823951 0.01679497 0.11166179 0.00135620 -0.01288455 0.00952983 +C 4.00766657 7.80888283 6.48626982 0.01089630 0.00745919 0.00798792 0.06975662 0.04444370 0.05315852 0.00542769 0.00265403 0.00606326 +H 1.92723418 8.18203264 6.63788112 0.01105650 0.01214571 -0.02082435 0.02520165 0.02821792 -0.03606767 -0.00085137 -0.00939866 0.00988027 +C 5.00605618 6.93188582 6.01174447 0.00036212 0.00292408 0.00340872 -0.00681778 -0.00401019 0.02411169 -0.00175091 -0.00515999 0.00296060 +H 4.27698714 8.78710175 6.88867137 0.02108340 0.00547024 0.01899309 0.10151156 0.01304023 0.06130988 0.00935391 0.00751856 0.00197595 +C 4.70834024 5.63017669 5.56319808 -0.00062533 -0.00794959 -0.00193348 -0.02446083 -0.03374137 -0.00328428 -0.00420227 0.00034846 0.00183776 +N 6.26530117 7.42634120 5.96456015 -0.00593249 -0.00257080 0.00088034 -0.01528882 -0.01815070 0.00303905 0.00367260 -0.00501049 -0.00026255 +C 3.32511066 5.25558358 5.46346403 0.00270114 0.00455614 -0.00643374 0.02693787 0.03168748 -0.03912995 0.00261107 0.00596712 -0.00296666 +H 5.50719907 4.96599215 5.27246451 -0.00330743 -0.02192612 0.01990954 -0.09621062 -0.14851012 0.06003867 -0.02064466 -0.01132408 -0.00203279 +C 7.43335016 6.81293268 5.85838977 0.00122244 -0.00685987 0.00330991 0.01817661 -0.02792404 0.02480938 0.00161049 0.00232154 0.00384738 +H 6.30547413 8.46854575 5.96771372 0.01535163 -0.01099669 -0.03964339 0.07781083 -0.08386568 -0.21342122 0.00127404 0.01096518 -0.01921655 +O 7.68399338 5.58441356 5.80899613 -0.00281451 0.00191091 -0.00014404 -0.02251058 0.01630101 0.00075912 -0.00298273 0.00094780 0.00039732 +C 8.57571826 7.80966432 5.84369174 -0.00381839 0.00784459 -0.00536969 -0.00853686 0.03261770 -0.00864261 0.00161359 0.00045040 0.00145761 +H 8.98027995 7.92811628 6.81327169 0.02411822 0.00841059 0.03576782 -0.00909264 0.08489264 -0.01874015 -0.02534438 0.01695850 -0.04010641 +H 9.39328810 7.43282110 5.26232364 -0.00449555 0.00325772 0.00327666 -0.00883403 0.01503360 -0.06103418 -0.00852665 0.00778879 -0.01014435 +H 8.26318596 8.78155061 5.42123878 -0.01888292 -0.02384683 -0.00771105 -0.10936017 -0.02228899 -0.07860651 -0.00734907 0.01413499 -0.01040626 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04910369 5.69152348 5.70318091 0.00162550 0.00321152 -0.00242198 -0.00398490 0.02594926 -0.01465766 -0.00299463 0.00420049 -0.00178788 +C 2.31587758 6.16229043 5.89428815 -0.00148973 0.00580500 0.00101058 -0.01690963 -0.01345008 -0.00221641 -0.00123832 -0.01082002 -0.00156217 +H 0.85634568 4.79535953 5.60660826 -0.00013901 -0.01388103 -0.01612895 0.12353616 0.02453324 -0.09130694 0.02964045 0.01612821 -0.01134995 +C 2.55699156 7.49375202 6.17918081 0.00138179 -0.00477174 -0.00132527 0.03400140 -0.01497514 -0.00938043 0.00437202 0.00350266 -0.00055758 +H 3.12709875 4.17358121 5.62271876 -0.00900739 -0.03800161 -0.00020593 -0.02174129 -0.03025731 0.01808368 -0.00346540 -0.00343919 -0.00023066 +C 3.92650013 7.83856194 6.24600901 -0.00499991 -0.00098365 0.00490647 -0.01872230 0.03059448 0.04531535 0.00314219 0.00785326 0.00678462 +H 1.83130196 8.21840917 6.30770437 0.02514075 0.01942649 0.00040273 0.03706473 0.08543098 -0.01733801 0.00714378 -0.02462171 -0.01085242 +C 4.99808865 6.94260409 6.10588963 -0.00230905 0.00288855 -0.00091226 -0.00118287 0.00027885 -0.01448052 0.00097649 -0.00089870 -0.00225215 +H 4.09129750 8.84349942 6.49887145 0.01486650 0.02926089 -0.00462180 0.07910779 0.04102565 -0.07489797 -0.00037253 -0.02025754 -0.01267538 +C 4.70630327 5.59406008 5.84564857 0.00337606 -0.00215979 0.00289245 -0.01911933 -0.00764967 0.03246565 -0.01001141 -0.00048748 0.00521747 +N 6.31430984 7.35961710 6.24596559 0.00561806 -0.00015945 -0.00682635 0.01553952 0.03200244 -0.03284131 -0.00183047 0.00820897 -0.00210904 +C 3.35845725 5.23799523 5.78007472 -0.00452096 -0.01159658 0.00335772 -0.02911155 -0.09367100 0.01731108 -0.00299957 -0.00919359 0.00259244 +H 5.46377228 4.74831764 5.86500685 -0.03503217 0.02069919 -0.00971249 -0.00270645 0.05260713 -0.13817971 0.04105217 -0.01523156 -0.02394460 +C 7.46988793 6.88354136 5.80202472 -0.00256667 0.00543277 0.00764032 0.00529646 -0.00502444 0.01904716 0.00405200 -0.00715044 -0.00388264 +H 6.39705680 8.32284081 6.56321612 0.00903328 -0.01237537 0.01262773 0.06697152 -0.06839792 0.15863170 0.00755790 -0.00037992 0.03049947 +O 7.54558150 5.90923375 5.05980557 -0.00091775 -0.00065812 -0.00318332 -0.00807317 0.00262053 -0.01221579 -0.00136910 0.00171347 0.00011443 +C 8.77476015 7.57562826 6.18323975 0.00221725 -0.00134473 -0.00011860 -0.00103212 -0.00376733 -0.01888180 -0.00145680 0.00243342 -0.00098432 +H 9.46181807 6.77044200 6.43376445 -0.00829746 -0.00581096 0.01371699 0.01334278 0.02991181 0.08421200 0.00810229 0.01745820 0.00524180 +H 9.01536403 8.03119721 5.21381986 0.01163943 0.02970885 -0.01038180 0.14483577 0.12729252 0.14698322 0.02843224 0.00243193 0.03232038 +H 8.59838697 8.22658312 6.99066684 0.00867790 0.01285620 -0.00981683 0.09245216 0.12258641 -0.02762327 0.01430001 -0.00413947 -0.01695742 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01832672 5.67231745 5.80776924 0.00651892 0.00618062 0.00284550 0.03067538 0.04817038 -0.00097030 0.00050929 0.00579345 -0.00082210 +C 2.34821252 5.98364068 5.94638945 -0.00666180 -0.00424490 -0.00856319 -0.03934134 -0.02731683 -0.05869594 -0.00049512 -0.00355950 -0.00529332 +H 0.72981487 6.03939064 4.96865076 -0.01201184 0.01270721 -0.01132615 -0.08826913 0.00158491 0.08078827 -0.02496977 0.00590400 -0.00480619 +C 2.92979772 5.60219104 7.12172603 -0.00562271 -0.00143002 -0.00284308 -0.00175413 -0.00901573 -0.02370264 0.00370834 -0.00235596 -0.00358882 +H 2.58086285 6.64707497 3.95007410 -0.00834880 -0.00544701 0.01109590 -0.03853848 0.14098504 -0.01385703 0.00564108 0.03754678 0.00058172 +C 4.33352200 5.83933365 7.21948254 -0.00203220 0.00019424 0.00651617 -0.01217004 0.00096010 0.04439145 -0.00051060 -0.00022910 0.00583991 +H 2.31997906 5.09268305 7.83579087 0.00833124 -0.02471332 -0.01427454 0.08141878 -0.12830451 -0.00547677 0.01743340 0.00059049 -0.00017182 +C 5.11462380 6.48069866 6.22327669 0.00050606 -0.00256799 0.00254861 -0.01035932 -0.01162397 0.02044410 -0.00284066 -0.00147950 0.00493761 +H 4.85822217 5.54970804 8.10204976 0.00469633 -0.00221389 -0.00966950 0.00318258 -0.08248613 0.04695812 -0.01281295 -0.01364178 0.00972424 +C 4.44315850 6.92466858 5.05631093 0.00350782 -0.00218771 0.00351874 -0.00105130 -0.02516962 0.02482672 -0.00339307 -0.00476504 0.00321662 +N 6.48594315 6.63047849 6.39987854 0.00082956 -0.00065726 0.00520983 0.01178710 -0.01029114 0.04257478 0.00357093 0.00162185 0.00350812 +C 3.07956259 6.60100360 4.89495359 -0.00363993 -0.00435743 -0.00236638 -0.02215670 -0.03943489 -0.00831146 -0.00206569 -0.00490408 -0.00268754 +H 4.87794270 7.43887953 4.21014556 0.01523388 0.00485762 0.02968062 0.16243491 0.01263493 0.13722587 0.01081065 -0.00712492 0.00819733 +C 7.35185748 7.35151711 5.73723859 0.00820440 0.00993126 -0.00228835 0.04616340 0.06892884 -0.03699441 0.00127138 0.00503445 -0.00404631 +H 6.89963528 5.95932583 7.05111520 0.00971341 0.00678663 0.02689523 0.00824327 0.16488231 0.14477233 0.00049444 0.02338148 0.02797646 +O 7.14377808 8.09216204 4.76388485 -0.00245873 0.00150237 -0.00315688 -0.03143358 0.01421141 -0.01685126 -0.00576699 0.00348576 -0.00260478 +C 8.80062561 7.22344371 6.00352289 0.00162920 -0.00570533 -0.00336260 0.02130651 -0.01938985 -0.02864539 0.00541072 -0.00381035 -0.00430977 +H 9.23667076 7.33460477 5.01591326 -0.01599307 0.00972600 -0.00127780 0.04000912 -0.03223275 -0.04236528 0.02521714 -0.01924484 -0.00236084 +H 9.22950398 8.09766076 6.53165289 -0.00581932 -0.00160788 -0.01122874 -0.04046578 -0.07422360 0.04542889 0.00124319 -0.00840390 0.02722906 +H 9.07603326 6.27895929 6.34811742 -0.02280991 0.01063342 -0.00584392 -0.04905384 -0.11045135 0.09240383 -0.00216025 0.00264993 0.00995246 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97518714 5.84150336 5.74191229 0.00855551 0.00035300 0.00001277 0.04890875 -0.01111963 -0.00370513 0.00445223 -0.00090945 -0.00040845 +C 2.32032632 6.11120835 5.87162873 -0.00482863 0.00215092 -0.00438831 -0.01490112 0.01188105 -0.02713022 0.00229171 0.00326039 -0.00236915 +H 0.74939096 4.96660301 5.40390268 0.00169636 -0.02379428 0.00850345 0.09120741 -0.01289428 0.12775366 0.01338562 -0.02422146 0.01386213 +C 2.70630190 7.41695017 6.11718752 0.00684508 0.00415810 0.00199472 -0.00914885 0.04570722 0.02005734 -0.00707541 0.00533508 0.00191445 +H 3.11324184 4.11629864 5.65081908 0.02264286 -0.02538929 0.01524567 0.06342151 -0.05565907 0.03745917 -0.00998522 0.02883935 -0.00367352 +C 4.00945021 7.86603087 6.27407500 0.00054906 0.00099072 0.00142821 -0.00092356 0.00744654 0.00263964 0.00006622 0.00209126 -0.00008432 +H 1.85209532 8.10372092 6.30988166 -0.00810940 0.01498290 -0.01221301 0.10715207 0.08779919 -0.15608878 0.00635403 0.03183730 -0.02254201 +C 5.00561583 6.88797518 6.14267740 -0.00681273 -0.00247008 0.00438983 -0.02221990 -0.02299012 0.02399850 0.00164548 -0.00486751 0.00189447 +H 4.10775914 8.90903759 6.38229008 -0.00640588 0.01951446 -0.01027511 0.09599318 0.01762571 0.01385249 0.02803586 -0.02634382 0.01089050 +C 4.66168205 5.55190963 5.85764568 -0.00909163 -0.00631395 -0.00154799 -0.04259691 -0.03418432 -0.00621859 -0.00477328 -0.00025509 0.00083665 +N 6.30687022 7.28374334 6.33281468 0.00875478 -0.00607714 -0.00157419 0.02394511 -0.03850532 -0.00232377 -0.00460194 -0.00384729 0.00238620 +C 3.32544118 5.12797833 5.76688163 -0.00590193 0.00201865 0.00046082 -0.04060204 0.00023135 0.00272943 -0.00488171 -0.00412957 0.00009496 +H 5.50716234 4.82921420 5.70166104 -0.00196607 0.00746429 0.00459570 -0.10344042 -0.02167671 0.06660851 -0.00230254 -0.03352557 0.00847736 +C 7.44230546 6.85670245 5.76475099 -0.00917186 -0.00204731 0.00273096 -0.00270877 0.02266923 0.03695821 0.01039612 0.00412470 0.00331013 +H 6.40873075 8.03723349 6.99842405 -0.00046560 -0.01778589 0.00009023 0.04630396 -0.03422400 -0.00387878 0.01166667 0.00511267 -0.00321638 +O 7.60127422 5.95314703 5.04917599 0.00559782 0.00247862 -0.00091438 0.02901820 -0.01216263 -0.02788994 0.00225317 -0.00389268 -0.00526879 +C 8.69074517 7.69470148 6.10767033 0.00027562 0.00442889 -0.00331592 -0.02892212 0.03478075 -0.00397193 -0.00828197 0.00483650 0.00000200 +H 8.39377840 8.46016086 6.86766098 -0.02883383 0.01724697 0.00917863 -0.03789345 0.00174188 -0.09914839 0.01119400 0.00745775 -0.00829016 +H 9.49180519 7.06765285 6.59038150 0.00488108 0.00421393 -0.00801494 -0.01055718 0.07703085 -0.13018830 0.00706503 0.00345670 -0.01030725 +H 8.96246469 8.17793458 5.14218942 0.00553474 0.00830507 0.00819403 0.10883073 0.06388346 0.09278630 0.01856482 0.01319552 0.00503224 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92142663 5.74801944 5.93147105 0.00026327 0.00147808 -0.00143861 0.00074352 0.01385412 -0.00181369 -0.00239406 0.00136828 -0.00189876 +C 2.25819396 6.10250436 5.97056676 -0.01159729 -0.00730059 -0.00167048 -0.02800786 -0.05406974 -0.04443357 0.00525191 -0.00540342 -0.00738079 +H 0.62921175 5.53865912 5.07794194 -0.00852307 0.01127867 0.02006589 -0.09653026 0.02554095 -0.01064646 -0.00148321 0.00562896 0.01612109 +C 2.78173829 6.74751426 7.10373963 -0.00084253 0.00168682 -0.00249069 -0.01766326 -0.00447676 -0.01088025 -0.00279712 -0.00348006 -0.00180678 +H 2.73770391 5.20430387 3.95123200 -0.00181924 -0.00424717 -0.01591007 0.10030157 0.08631931 0.02101834 0.01129559 0.00788944 -0.01341584 +C 4.17449874 6.96475649 7.28272282 0.00494044 -0.00261880 0.00323486 -0.00484128 -0.02144923 0.00647556 -0.00489773 -0.00094202 0.00243094 +H 2.00522848 6.90940221 7.84315173 0.00007890 0.02283542 0.01281412 0.15803869 0.16842829 0.07086868 0.02891142 0.01978761 0.00488035 +C 5.03809126 6.74042351 6.18639553 -0.00327853 -0.00604915 0.01037089 0.00013600 -0.03112875 0.03909428 0.00427198 -0.00304934 -0.00071884 +H 4.46470731 7.27643280 8.22076652 0.00415192 0.01558275 -0.01848286 0.11746390 0.19012714 -0.00829349 0.00429423 0.01166270 -0.02716159 +C 4.48609254 6.22077141 4.96528951 0.00243229 0.00167881 0.00063510 0.01774264 -0.01460412 0.00675227 0.00063027 -0.00525699 0.00409443 +N 6.36731555 7.18613342 6.33025161 0.00496565 0.00255879 0.00414136 0.00943740 0.00495812 0.04116602 -0.00301173 -0.00199025 0.00628409 +C 3.14331340 5.74749237 4.85777643 0.00233647 0.00199767 -0.00827666 -0.01104457 0.03750454 -0.01463365 -0.00281620 0.00935974 0.00561127 +H 5.12902681 6.00452655 4.08724196 -0.00387291 -0.02073433 -0.00371299 0.00167695 -0.03852151 0.06394572 0.01952295 0.00555685 0.00136722 +C 7.48933009 7.00789098 5.61356355 -0.00482780 0.00363875 0.00129375 -0.00208794 0.02256064 0.00102577 0.00429999 0.00276822 -0.00074140 +H 6.55551861 7.65197773 7.19905915 0.00113436 0.00417857 0.02576555 -0.01621773 -0.00438358 0.02510274 -0.00113650 0.00197110 -0.00574012 +O 7.66812125 6.35454320 4.56561494 0.00063313 -0.00314891 -0.00022912 -0.01138498 -0.01247189 0.01469905 -0.00396124 -0.00022354 0.00455514 +C 8.69616412 7.71237865 6.25703396 0.00110330 0.00634571 -0.00797087 0.02224468 0.03083462 -0.03675664 0.00695789 0.00174342 -0.00655457 +H 9.44875117 7.08639959 6.64898174 0.02287945 -0.01127750 -0.00029902 0.00398602 -0.08640800 -0.14368284 -0.02784333 -0.00028376 -0.04189692 +H 9.18464087 8.33513280 5.56958400 -0.00095446 -0.00521202 -0.00397895 0.02239689 0.06408580 -0.13766703 -0.00949285 0.00292923 -0.00468282 +H 8.49051747 8.34645008 7.15642496 0.01967801 -0.01404447 0.01073890 0.02691723 -0.08101544 -0.02142432 -0.01123946 0.00511087 0.00140535 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.93419268 5.62460902 5.93297635 -0.00338013 -0.00263995 -0.00175116 0.01598449 -0.00707082 -0.02163498 0.00836367 0.00359002 -0.00424299 +C 2.25925159 6.11230792 5.83936515 0.00656526 0.00584009 -0.00183893 0.01827497 0.03613593 -0.00440333 -0.00374628 0.00146988 0.00084140 +H 0.90959732 4.65518146 5.81831505 0.01026080 -0.01396563 0.00348486 0.03525425 0.02506048 0.04694344 0.00027428 -0.01947130 0.00585570 +C 2.57855583 7.54711469 5.96107286 -0.00455094 -0.00094950 0.00550067 -0.02516252 -0.02572193 0.03640661 -0.00098620 -0.00252484 0.00379206 +H 3.13519346 4.14042963 5.54733426 0.02935817 0.00596878 -0.01689195 0.10371807 0.00015219 -0.06534461 -0.00429197 0.01447776 0.00282221 +C 3.94494038 7.95393312 6.11122112 -0.00277089 0.00294702 -0.00139527 -0.00072413 -0.00111098 -0.02401816 0.00085622 -0.00563425 -0.00478465 +H 1.77171105 8.23066487 6.01232248 -0.01614284 0.01704072 -0.03244484 0.00988188 0.02727197 -0.14714107 0.02175727 -0.01858098 -0.00181622 +C 5.02541223 6.99544831 6.01448112 0.00107394 -0.00283653 0.00108803 -0.01076400 -0.02896981 0.00731212 -0.00337927 -0.00310973 0.00148244 +H 4.25985189 8.99785180 6.18102648 0.01631813 0.01493072 -0.00432654 -0.06354456 -0.02131352 -0.00544413 -0.02570732 -0.00430784 0.00096010 +C 4.69767399 5.57197272 5.80958357 0.00052269 -0.00610460 0.00457161 -0.01268984 0.01993670 0.04126660 -0.00233076 0.00907443 0.00620469 +N 6.35673977 7.49538548 6.11703998 0.00230259 -0.00604481 0.00296882 0.00287713 -0.04395095 0.01598526 -0.00142385 -0.00337541 0.00180566 +C 3.33923909 5.16988417 5.70100785 -0.00127408 0.00426813 0.00113884 -0.00087664 0.04149381 0.01025718 0.00181400 0.00517324 0.00130094 +H 5.45199318 4.80237416 5.82626442 -0.00506986 0.02769414 -0.00546181 0.05292659 0.02994224 -0.08211232 -0.00277936 -0.00630581 -0.01181046 +C 7.50829718 6.87769070 5.87832769 0.00671359 0.00000742 -0.00558862 0.02917326 -0.01236220 -0.04213764 -0.00019145 -0.00263308 -0.00512727 +H 6.51888854 8.43763874 6.24235741 -0.00751577 -0.00805377 0.00006743 -0.10361301 0.02149737 0.09177369 -0.01904112 -0.02916409 0.01819477 +O 7.54939155 5.76340594 5.36840591 -0.00600655 -0.00374756 -0.00153886 -0.02737930 -0.02609603 -0.01037635 -0.00095746 -0.00361687 -0.00168309 +C 8.80257047 7.59950166 6.20609302 -0.00030970 0.01065451 0.00301164 -0.00343943 0.04317902 0.01696597 0.00087635 0.00424044 -0.00342149 +H 8.98948379 8.36339348 5.53241005 0.01631644 -0.02770450 -0.00038693 0.08930157 0.09440898 -0.07844928 -0.00331414 0.01378562 0.01350327 +H 8.74956087 7.90187807 7.29464443 0.00777012 -0.00341779 -0.00667368 0.11060532 0.06721316 -0.03826513 0.01691118 0.02715025 0.01725798 +H 9.63009322 6.90804127 6.02620710 -0.00544141 0.00813545 -0.00371045 -0.01967828 0.02808161 0.06771406 0.00287569 -0.00241572 0.02056696 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00745346 5.74444111 5.82662957 -0.00122977 -0.00168288 0.00216367 -0.02606096 -0.01187241 0.00345939 -0.00576986 -0.00149505 0.00115664 +C 2.30231725 6.11929718 5.93540404 -0.00417661 0.00504136 -0.00490581 -0.03044328 0.01064335 0.00609033 -0.00270029 -0.00161634 0.00396474 +H 0.67885578 5.68311182 4.95219885 -0.03076161 -0.03876400 -0.00982127 -0.07594554 -0.21850515 0.09530388 0.00274661 -0.02773821 0.00944435 +C 2.86172668 6.06348669 7.22951353 0.00491979 0.00371477 -0.00294477 0.06832971 0.03819424 -0.03254438 0.00781683 0.00543580 0.00033569 +H 2.60838028 6.27506350 3.88872191 0.01611232 -0.03770809 0.00508593 0.09676984 -0.22844226 -0.10612455 0.01292657 -0.01729940 -0.01670640 +C 4.29826951 6.25893142 7.37802001 0.00659270 0.00112183 0.00123944 -0.00212579 -0.00245178 0.01147506 -0.00160273 -0.00042248 -0.00198524 +H 2.25227495 5.85827306 8.00375355 0.03111467 0.01047029 0.00955173 0.11386295 0.04789595 0.15922364 0.03242228 0.01552229 -0.02456330 +C 5.09918621 6.49991106 6.27177174 0.00133873 -0.00441510 -0.00293510 0.04119501 -0.02158612 -0.02858987 0.00531999 -0.00221907 -0.00230395 +H 4.58625987 6.14897515 8.44262900 0.00011075 0.01120910 -0.00806452 0.16537093 0.10506488 -0.06306092 0.03716011 0.01327586 0.00395432 +C 4.46062946 6.55674193 4.97432836 -0.00187375 0.00499610 0.00332851 -0.00509317 0.02799412 0.02430623 0.00121222 0.00370817 -0.00030024 +N 6.54096142 6.67787107 6.44577438 -0.00136212 -0.00297870 0.00340072 -0.03895926 -0.00951426 -0.00441102 -0.00525695 0.00007033 -0.00265707 +C 3.09731449 6.26891192 4.84625035 -0.00495136 -0.00162608 -0.00376826 -0.01858972 0.00324808 -0.03956303 -0.00036830 0.00143870 -0.00679604 +H 4.96737049 6.72840912 4.08508074 -0.00258838 0.02414588 -0.00678811 0.02490525 0.12707490 0.00808335 -0.00533079 0.00221968 0.02960655 +C 7.39806549 7.23905428 5.59021517 0.00223623 -0.00299582 -0.00099502 0.01655612 -0.02299441 0.00219066 0.00106445 -0.00340799 0.00192121 +H 6.99593760 6.57540098 7.31600968 0.00994860 -0.00785572 -0.01934115 -0.04908771 -0.13648888 0.03784287 -0.03826721 -0.02245284 -0.00212993 +O 7.23681529 7.55083181 4.41441905 -0.00398035 0.00176970 0.00030849 -0.03227972 0.01128854 0.00488260 -0.00461054 0.00139365 0.00151599 +C 8.74318216 7.46492532 6.21733859 0.00031766 -0.00004436 0.00596163 0.02656642 -0.01408857 0.02710615 0.00494858 0.00025680 0.00329198 +H 9.42707202 6.63104163 5.85906968 0.00704669 -0.00988675 -0.00570092 -0.03458944 0.06483732 0.04662386 0.01260819 -0.00652177 0.00800782 +H 9.18534925 8.39684422 5.91167199 0.01183492 -0.00393073 0.01489923 0.05072275 0.00983436 0.05805154 -0.00309831 -0.00398957 -0.00104462 +H 8.71720915 7.39159767 7.30602598 0.00633513 0.02330952 -0.00650591 0.02672902 0.14429675 0.04480173 -0.00032646 0.00980060 0.01023755 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98315373 5.75369270 5.62286697 0.00102643 0.00050736 0.00228167 0.00596390 -0.00504698 0.02027401 0.00212464 -0.00227595 0.00352259 +C 2.31564368 5.89726566 5.85536751 0.00231657 0.00096955 0.00117627 0.01674953 0.00387008 0.01292954 0.00105217 -0.00114543 0.00221367 +H 0.37235585 6.49498724 5.81718648 0.02095810 0.01101664 0.00309559 0.19753794 0.10118213 -0.00091506 0.01686119 0.02931062 -0.00130442 +C 3.13406903 4.84383937 6.36134737 0.00008795 -0.00041523 0.00052495 -0.00214485 0.02118437 0.00317061 -0.00043086 0.00383431 0.00023881 +H 2.38999694 7.95295570 4.99215355 0.00287801 -0.01329116 0.00199921 -0.07377217 -0.07650216 0.12153558 -0.03439649 0.01085322 0.01281591 +C 4.52847581 5.13408430 6.51601166 -0.00326376 0.00035809 0.00107510 0.00197202 -0.02460373 -0.00176204 0.00231346 -0.00642622 -0.00133432 +H 2.66707379 3.94511106 6.68006331 -0.00677137 -0.00995118 -0.02533944 0.02771311 -0.07077637 -0.16033243 0.01879135 0.00743219 -0.01779248 +C 5.16812171 6.29441950 6.00242840 -0.00325240 0.00295871 0.00331022 -0.03320125 0.01504661 0.04550964 -0.00412738 0.00360278 0.00849346 +H 5.22312377 4.39670941 6.88297507 0.00308575 -0.01304384 0.00103088 -0.09982762 -0.08121951 0.01022742 -0.02007445 -0.01304299 0.00123031 +C 4.28566666 7.27508573 5.64026655 -0.00759803 0.00391777 0.00025857 -0.03329747 0.05432429 -0.01726912 -0.00178491 0.00915179 -0.00500887 +N 6.54918325 6.46138090 6.00666019 0.00383466 0.00286754 -0.00267438 0.01105759 0.02922344 -0.01519471 -0.00101745 0.00288592 -0.00141693 +C 2.90888788 7.14508516 5.57199945 0.00283465 -0.00643386 -0.00384386 0.00305446 -0.04840694 -0.04424424 -0.00161125 -0.00722894 -0.00698754 +H 4.72847288 8.20974389 5.28456047 -0.04009245 -0.00617546 -0.02585553 -0.21482612 0.04977897 -0.16668085 -0.00782363 0.02240108 -0.01584182 +C 7.33669578 7.55271237 5.89692855 0.00310914 0.00079172 -0.00172073 0.02896261 0.00915422 -0.02242946 0.00433955 0.00091527 -0.00436077 +H 7.12369452 5.66687564 6.11112684 0.00627920 0.01135726 -0.01739395 -0.00879686 -0.03923535 -0.07805121 -0.02127202 0.00193675 -0.00611677 +O 7.06498249 8.75911049 5.69411182 -0.00060506 0.00102678 0.00072326 -0.01080000 -0.01121044 0.01155451 -0.00220362 -0.00360855 0.00241301 +C 8.78490545 7.11882062 5.88144086 0.00240912 -0.00526557 0.00098318 0.02011298 -0.02201073 0.00318918 0.00376550 -0.00245728 0.00444226 +H 8.84116055 6.04384419 5.77601800 -0.00441237 -0.00212298 0.00657461 0.07718193 -0.03601809 -0.05343540 0.02127058 0.00349693 -0.02295718 +H 9.31203737 7.68000028 5.04862813 0.00156753 0.01928430 0.02760745 0.02082517 0.02287527 0.13260915 0.02122365 0.00345307 -0.01014864 +H 9.33438276 7.40201588 6.73216454 -0.00346849 -0.02410753 -0.00326631 -0.02924459 -0.12010710 0.15010941 -0.02108772 -0.01547882 0.01303964 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.85574348 5.90558770 5.73801672 0.00150004 0.00008482 -0.00119310 0.02047128 -0.00439997 -0.00810084 0.00300351 -0.00049715 -0.00161582 +C 2.22678588 6.10219809 5.74737623 0.00070786 -0.00069566 -0.00154533 -0.02446665 -0.00265631 -0.02396758 -0.00367130 0.00010526 -0.00467783 +H 0.62087599 5.01542064 6.06973171 -0.00589996 0.00973453 -0.00858474 -0.06101789 0.03429631 -0.01402371 -0.01142228 -0.01376420 0.01001628 +C 2.73812782 6.94221421 4.78146435 -0.00496256 0.00313834 -0.00127447 -0.00176960 0.03607047 -0.01403243 0.00309800 0.00493042 -0.00074802 +H 2.79711483 4.89080497 7.45798593 0.02063152 0.00600131 0.00133810 -0.01385156 -0.03059156 0.02471174 -0.01868999 -0.00243314 -0.00905742 +C 4.11096536 7.36649472 4.85783672 -0.00038972 0.00182679 0.00061777 -0.02661420 0.00305996 -0.01535771 -0.00256678 -0.00079135 -0.00355717 +H 2.11670654 7.32223265 3.94422656 0.00108634 -0.01389084 -0.00860394 -0.02247927 -0.04165160 0.02157502 -0.01527507 0.01241001 -0.00174692 +C 5.00152022 6.81864372 5.76019917 0.00889006 -0.00266872 0.00592174 0.04348949 -0.00469521 0.03965617 0.00101202 0.00192307 0.00349100 +H 4.36414093 8.07360030 4.09877608 -0.00799462 -0.00537729 -0.00431124 0.06502172 -0.00323555 -0.02220629 0.01756727 -0.00399264 0.00557848 +C 4.45565557 5.94257187 6.68579665 0.00360770 0.00192908 0.00624734 0.03267116 -0.00813299 0.05651153 0.00405464 -0.00274354 0.00812461 +N 6.30259519 7.31721743 5.79228959 0.00347664 -0.00326156 0.00135005 0.05746784 -0.01182903 0.00717141 0.00967723 0.00191831 -0.00057517 +C 3.08554513 5.54681806 6.67414376 -0.00421649 -0.00376854 -0.00472368 0.01698893 -0.01927901 -0.00760384 0.00797165 -0.00214183 0.00330486 +H 5.18083164 5.54563465 7.40270215 0.02165416 0.02726154 0.01906234 -0.02865410 0.13151699 0.12586503 -0.01785281 -0.00037187 0.02680904 +C 7.58409033 6.93728459 6.22895683 -0.00133606 -0.00151030 0.00074172 -0.03103154 -0.00061067 -0.01813294 -0.00514883 0.00039249 -0.00510027 +H 6.35200024 8.16344929 5.27903904 0.00726829 -0.00087345 0.01942803 0.06043014 0.05197421 0.06529708 0.00867093 -0.00198992 0.00669937 +O 7.80762964 5.93034339 6.86007109 -0.00313284 0.00478617 -0.00314650 -0.02505761 0.01705738 -0.00843763 -0.00399499 -0.00016085 0.00085203 +C 8.83338718 7.73903460 5.73336308 -0.00841888 -0.00382353 -0.00117471 -0.07925293 -0.00856908 -0.02104469 -0.01179946 0.00162950 -0.00333404 +H 9.46663054 8.19852165 6.50232768 -0.00372158 -0.01958195 -0.01105579 -0.00245279 -0.22580167 0.02126693 -0.00263531 -0.04141768 0.01435724 +H 9.39668855 7.13103112 4.98326533 -0.00901053 0.01580415 -0.00777305 -0.04525684 0.07253548 0.00252193 -0.00049370 -0.01031842 -0.00361054 +H 8.43265384 8.61977935 5.20277609 0.02649231 0.01533228 -0.00670071 0.15641082 0.03178187 -0.01483990 0.00540044 0.00629552 0.00082129 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99574865 5.78789035 5.99505167 0.00214415 0.00433132 0.00110761 0.00131690 0.01769110 0.00412744 -0.00174162 0.00173154 0.00022615 +C 2.28547187 6.16612272 5.88753192 0.00042434 -0.00685898 -0.00043037 0.01672594 -0.03139018 0.00549872 0.00450760 -0.00200202 0.00202592 +H 0.88969965 4.87582370 5.87568476 -0.02278373 -0.01364964 0.00155868 -0.12683603 0.05557598 0.01298601 -0.01303511 0.01422751 -0.00037694 +C 2.67896570 7.41071666 6.40757431 0.00620207 -0.00363899 0.00136335 0.03410360 -0.03129182 -0.00633246 0.00007317 -0.00093866 -0.00145907 +H 2.90132213 4.31410434 4.91060864 0.00090465 0.02069017 0.00837407 0.01438543 0.02975025 0.02067246 -0.00401082 -0.03814284 -0.00985259 +C 4.02245645 7.75319370 6.35036312 0.00299751 0.00389628 0.00129190 0.01481472 0.03811347 0.01306987 0.00049029 0.00484534 0.00198794 +H 1.98564692 8.07018340 6.72602722 0.01371059 0.00880617 -0.00917679 -0.00407065 0.09140451 0.01292866 0.02141365 -0.02653626 -0.00471470 +C 4.98861469 6.82278476 5.96931535 -0.00281760 0.00726364 -0.00040178 0.01420300 0.05220517 -0.00491143 0.00370150 0.00390052 -0.00276981 +H 4.33189123 8.78263802 6.60554207 -0.00946847 0.00707461 0.00536714 -0.08327862 -0.00029262 0.08868469 -0.00501625 0.01134871 0.02256831 +C 4.61977820 5.54967356 5.48096088 -0.00634148 0.00033975 -0.00782887 -0.01788947 0.01224467 -0.05215373 0.00142043 0.00837176 -0.00343730 +N 6.29742766 7.38654291 6.15184486 -0.00147197 -0.00007203 -0.00015446 -0.02758974 -0.03871912 -0.02110224 -0.00336841 -0.00878574 -0.00519075 +C 3.23928587 5.30341995 5.33320407 0.00390736 -0.00249520 0.00166115 0.01479379 -0.03196747 0.01879147 -0.00014819 -0.00475655 0.00371712 +H 5.30591811 4.74354529 5.09467938 0.01696419 -0.02295016 0.03016190 0.02164251 0.08028992 0.24577517 0.01245500 0.01074700 0.01743621 +C 7.48777689 6.84695903 5.82429883 -0.00256373 -0.00041109 -0.00464131 0.00355024 0.02910868 -0.00493475 0.00147346 0.00485775 0.00225322 +H 6.25019897 8.33435556 6.57665709 -0.00164225 -0.02118631 -0.01378461 0.08374451 -0.03298625 -0.04522949 0.01682139 0.01232895 0.00250129 +O 7.70598500 5.74616497 5.33745430 0.00408871 0.00141681 0.00077910 0.02320600 0.00784581 0.00280067 0.00248362 0.00160043 0.00025723 +C 8.68291063 7.82689979 6.19201106 -0.00290049 -0.00675861 0.00604289 -0.05249542 -0.04640231 0.01003382 -0.01122178 -0.00334343 -0.00187546 +H 8.58685458 8.68592055 5.56416118 -0.01862720 0.00465103 0.00132977 -0.12772786 -0.01015073 0.05201739 -0.01058216 -0.01754767 0.01043224 +H 8.68089702 8.14247892 7.23837881 -0.01613417 0.02938493 -0.01755540 -0.06188067 0.12276532 -0.04118225 -0.00333836 -0.00431286 0.00216446 +H 9.66234551 7.44482849 5.82506356 -0.02838587 0.00017337 0.00099390 -0.05315973 -0.09187746 0.08611209 0.01678942 -0.02320713 0.01902583 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.90237387 5.61880959 5.89337351 -0.00205063 -0.00073598 0.00169698 0.00280904 0.00700344 0.00453404 0.00357595 0.00168076 0.00147992 +C 2.24558988 5.98416644 6.02628962 0.00226717 -0.00646027 -0.00244008 0.02303879 -0.03710250 -0.03914139 0.00380615 -0.00392907 -0.00664242 +H 0.58011078 5.94451137 5.06989738 -0.03238687 0.00311779 -0.01252470 -0.15952861 -0.06149292 0.09687271 -0.02059273 -0.00775612 0.01161193 +C 2.99937247 5.65261091 7.16395074 0.00582361 0.00664582 0.00093055 0.04311772 0.04389595 -0.01283373 0.00246035 0.00379969 -0.00280564 +H 2.32302736 6.90417078 4.07558129 0.03839989 -0.00623872 0.00045127 0.23758338 -0.05615029 -0.10474242 0.01657934 -0.01053388 -0.02086945 +C 4.40718067 5.96261748 7.15365853 -0.00437072 0.00295845 -0.00842033 -0.02450774 0.00650882 -0.01577301 -0.00080080 -0.00106380 0.00301482 +H 2.55833040 5.11022979 7.94178680 0.02253922 0.00031319 0.00535974 0.10687176 0.03709473 0.08858758 0.01451941 0.02442392 -0.00638100 +C 5.10759088 6.57466084 6.10341096 -0.00631125 0.00197492 -0.00094122 -0.01002959 0.00035756 -0.00834409 0.00327221 -0.00150647 -0.00174379 +H 5.00022368 5.73625609 8.02543474 -0.00726728 -0.03482935 0.00817258 -0.13984709 -0.20035646 -0.05847983 -0.01840842 -0.01731169 -0.01442328 +C 4.38130505 6.87128229 4.94658050 -0.00469760 0.00120640 0.00008515 -0.05148921 0.01651500 -0.01493526 -0.00673887 0.00308528 -0.00126349 +N 6.51463791 6.61917787 6.27683442 0.00733736 0.00321525 0.00262639 0.00233152 0.01648442 0.02364090 -0.00686056 0.00242530 0.00249840 +C 2.95750240 6.59799268 4.91472945 0.00566328 -0.00041012 0.00275627 0.02460229 -0.00805495 0.03628186 0.00010192 -0.00169401 0.00391918 +H 4.79992055 7.29889585 4.03894128 -0.02362042 0.00815852 -0.02337156 -0.08316234 0.01539631 0.00616624 0.00532271 0.00186997 0.01149316 +C 7.46982102 7.28102212 5.66712301 -0.00065458 -0.00287834 -0.00252714 -0.00529900 -0.00191433 -0.04648283 -0.00030435 -0.00002427 -0.00585441 +H 6.81567843 6.08126603 7.10524963 -0.00803127 0.02016940 0.00390437 0.02441210 0.14306195 0.07192719 0.01558382 0.01409879 0.02312453 +O 7.29913226 7.92105117 4.59550891 -0.00451016 -0.00071361 0.00474168 -0.03170805 -0.01035598 0.03897406 -0.00472874 -0.00093188 0.00401617 +C 8.79466455 7.33058961 6.33941445 0.00206480 -0.00385289 0.00165467 0.01223604 -0.02725003 -0.00461118 0.00203668 -0.00313391 -0.00369737 +H 9.21438715 6.33339894 6.49115648 0.00426604 -0.00258464 0.00522940 0.03497776 -0.00276377 0.05479192 0.00473033 -0.00086323 0.00873093 +H 9.40349490 7.92513243 5.65913509 0.00019169 0.00267770 0.01118876 0.10483061 0.00345119 0.11386002 0.02429463 -0.00707997 0.01564343 +H 8.54419108 7.86645486 7.29141900 0.01064806 -0.00273091 -0.03102563 0.16109912 0.02984642 -0.02690568 0.02592459 0.01078672 0.02872453 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98053555 5.78468601 5.71296231 -0.00210454 -0.00020055 0.00136561 -0.02139907 0.00199541 0.01800251 -0.00313336 0.00066548 0.00344582 +C 2.27042242 6.13099165 5.83873733 0.00354400 -0.00524790 -0.00407489 0.03207473 -0.01630901 -0.02153548 0.00373422 0.00086805 -0.00148501 +H 0.75524694 5.23028420 4.94998617 -0.02855176 0.02366104 0.01627950 -0.15655308 0.07083253 0.01364417 -0.00971751 0.00035611 -0.00732235 +C 2.61433455 7.46113231 6.16991619 0.00058185 0.00429054 0.00079707 -0.00135557 0.00221036 0.01720329 -0.00075603 -0.00466127 0.00227256 +H 3.09528732 4.10063648 5.62906532 0.03108454 -0.01788547 -0.00490180 0.15765639 0.03122884 -0.06190989 0.00417573 0.00063827 -0.01216880 +C 3.96441070 7.81222023 6.36152361 -0.00170065 0.00150545 0.00055598 -0.02039982 0.02347060 -0.00672535 -0.00274098 0.00570842 -0.00182319 +H 1.82120023 8.14567243 6.53151039 0.00802252 -0.00011232 -0.01964978 0.00578757 0.06732203 -0.21755827 -0.01255346 0.02079746 -0.03175403 +C 4.97157339 6.90983435 6.03027430 -0.00059229 0.00650644 -0.00048216 0.01223983 0.04914768 0.00609617 0.00143570 0.00518067 0.00184363 +H 4.17961593 8.82280950 6.67961646 -0.00129050 -0.01082621 0.00210285 0.01677163 0.01670403 0.01815345 0.00148275 0.01263326 -0.00062639 +C 4.61741188 5.59892227 5.84401948 -0.00070387 0.00291176 -0.00256539 0.02751527 0.01210706 -0.03126701 0.00743160 0.00327799 -0.00484686 +N 6.30551970 7.39622831 6.00356789 -0.00318953 -0.00241515 0.00364516 -0.03434226 0.01705364 0.03115262 -0.00186942 0.00184922 0.00426177 +C 3.29741267 5.17476824 5.74191697 0.00858754 0.00062556 0.00194580 0.04341876 -0.01589419 0.00940417 0.00433499 -0.00279075 0.00028289 +H 5.45893143 4.90306723 5.63399750 0.00592460 0.02261522 0.01324125 -0.00959219 0.00940801 0.10489238 0.01008717 -0.03218782 0.00855390 +C 7.49637567 6.89344148 5.84057876 0.00148086 -0.00123737 0.00038752 0.02344703 -0.04931850 -0.01073612 0.00061941 -0.01091917 -0.00250111 +H 6.30129250 8.46290872 6.09640105 0.00678782 -0.00042068 -0.00142154 0.07763982 -0.07820550 0.02763753 0.01149103 0.03831461 0.01542277 +O 7.70031044 5.71382919 5.57425401 -0.00002050 -0.00950541 -0.00336190 -0.00541970 -0.06089393 -0.02071287 -0.00112180 -0.00753084 -0.00251420 +C 8.77058591 7.73076196 5.94048791 -0.00753825 0.00619188 0.00083764 -0.05315729 0.02815678 0.00071541 -0.00523726 0.00106282 0.00190798 +H 8.61820905 8.55418583 6.66773942 0.01381874 -0.02118853 -0.02695478 0.06563691 0.04359211 0.02254431 -0.00497021 0.02931248 0.02585217 +H 9.53573465 7.03659580 6.21421593 0.00276542 0.01199071 0.01139425 0.03393253 0.14696281 0.10983389 -0.00703852 0.03098868 0.00955242 +H 9.08309690 8.18205416 4.95532409 -0.00411365 -0.00546527 0.02190473 -0.04841727 -0.00999894 0.03192026 -0.00455812 0.00950482 -0.02969495 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96583199 5.82648184 5.78960002 -0.00313811 0.00158773 0.00745526 -0.01129553 0.01660403 0.04639231 -0.00059045 0.00040569 0.00630665 +C 2.29299286 6.15311460 5.75388122 0.00022953 -0.00729536 -0.00441856 -0.03747411 -0.02189209 -0.01546457 -0.00744845 0.00145026 0.00013241 +H 0.92165613 4.94030213 6.12454193 0.03407150 0.02067897 -0.00974700 0.09090481 -0.03930056 -0.03170558 -0.01345357 -0.00008480 -0.00843612 +C 2.65892959 7.48886809 6.00755923 -0.00219444 -0.00565525 -0.00317288 -0.01773083 -0.02587053 -0.02225832 -0.00004331 -0.00191698 -0.00348374 +H 2.94044516 4.05099789 5.62495041 0.00216305 -0.02668075 -0.00377841 0.04792961 0.10776785 -0.04519719 0.00492130 0.01254326 -0.01027689 +C 3.96423024 7.90182941 6.19814586 0.00189589 0.00396707 -0.00350836 0.03551543 -0.00879372 -0.03001353 0.00220326 -0.00414736 -0.00450944 +H 1.88712617 8.26846299 6.11808909 0.01356445 0.00160578 -0.01266397 0.01335580 -0.02662390 -0.09028938 -0.02008404 0.00041222 -0.00850295 +C 5.02093475 6.87265754 6.07093242 0.00065560 0.00947169 -0.00019625 -0.04191403 0.06185490 -0.01440957 -0.00794200 0.00218344 -0.00475085 +H 4.17735368 8.95436180 6.36310762 -0.01539310 0.00260263 0.01382617 -0.04841423 -0.01564274 0.06481217 0.00739222 -0.00679290 0.00072686 +C 4.57957403 5.54627187 5.84902615 -0.00373444 -0.00336509 -0.00286112 -0.00883990 -0.01892623 -0.02251447 0.00323443 0.00234465 -0.00232212 +N 6.32480067 7.32332516 6.01902909 0.00021303 -0.00092941 0.00447562 0.00505567 0.02635121 0.04143648 -0.00043546 0.00343641 0.00669549 +C 3.18967088 5.12827278 5.70940325 0.00077856 0.00493800 -0.00181126 0.05675199 0.00992452 -0.00877721 0.01121519 0.00106597 -0.00106737 +H 5.36919037 4.80596204 5.70735444 0.00076867 -0.00222871 0.00965961 -0.04523613 -0.04577661 0.08486605 -0.00490512 -0.01402156 0.01030228 +C 7.54799636 6.82304803 5.87299742 0.00116075 -0.00041727 0.00178253 -0.00114447 -0.01257679 0.00659716 -0.00148526 -0.00241979 0.00068288 +H 6.42878697 8.35824251 6.12417504 0.00573159 0.02412341 0.02058615 -0.04014301 -0.07740607 0.12099587 -0.00681901 0.01602897 0.02193958 +O 7.83487716 5.63957678 5.67717565 0.00262396 -0.00188914 -0.00224125 0.01365106 -0.00763252 -0.01434628 0.00098038 -0.00028360 -0.00189302 +C 8.60317130 7.90037075 5.98038167 0.00091370 -0.00098182 0.00136472 0.00344764 -0.01825540 0.01356545 -0.00056164 -0.00373460 0.00191394 +H 9.33747873 7.42427816 6.67918538 -0.01377347 0.00370933 -0.02027314 0.05217941 0.06871441 -0.02213254 0.03452025 0.00841339 0.01931732 +H 9.14273372 8.11743141 5.03216651 -0.02006624 -0.01433379 0.01704866 -0.09277081 -0.08468214 -0.03856554 -0.00250456 -0.00705209 -0.02938884 +H 8.20275410 8.82653413 6.39410775 0.00164681 0.00033448 -0.00683463 0.05025081 0.01589399 -0.01577955 0.01065788 0.00252065 0.00094694 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.05521138 5.50533277 5.82585259 -0.00023648 -0.00261850 0.00353667 -0.00692384 -0.00850519 0.00951140 -0.00014253 -0.00021626 0.00144049 +C 2.32770535 5.95695631 5.95695040 0.00301348 0.00367136 -0.00387128 -0.00554653 0.00598150 -0.01872597 -0.00497603 -0.00273818 -0.00044795 +H 0.59764789 5.75681197 5.00616303 0.01226718 -0.00492267 -0.02238461 0.14740772 -0.07890912 -0.02936819 0.00710269 -0.00863496 -0.02515304 +C 2.97294536 5.59342181 7.09604512 0.00072151 0.00058931 -0.00321218 0.03627448 -0.01053572 -0.01409795 0.01046055 -0.00257281 -0.00178820 +H 2.29317605 7.05558131 4.19929946 0.00662362 0.02867346 -0.00969758 0.16337421 0.15129424 -0.03531630 0.01773133 0.01468233 -0.01321231 +C 4.36005725 5.82321602 7.19224399 0.00036428 -0.00127464 0.00390107 0.02582254 0.03118837 0.00567009 0.00338261 0.00856871 -0.00107753 +H 2.36363036 4.98554028 7.79958770 0.03152826 0.00380637 -0.00840582 0.20369951 -0.00640663 0.08164072 0.01274855 -0.00976263 0.03107598 +C 5.06298910 6.63374783 6.19067958 -0.00170535 -0.00202200 -0.00117780 -0.01453743 -0.03153574 0.01255357 -0.00105890 -0.00494092 0.00289552 +H 5.03801570 5.55986794 8.03307783 -0.02525342 0.02620426 0.01657769 -0.25461865 0.03090361 0.14726289 -0.02460379 -0.01489966 0.02528477 +C 4.31079875 7.17066753 5.13384472 -0.00498355 -0.00246011 0.00262284 -0.04502593 -0.01455569 0.01430265 -0.00701324 -0.00304398 0.00258902 +N 6.44237748 6.83803703 6.37203942 0.00002705 0.00081636 -0.00358941 -0.00994812 0.00788080 -0.01658949 -0.00110560 0.00150062 -0.00102894 +C 2.96798619 6.72280219 4.99620752 -0.00349104 -0.00108650 0.00189727 -0.02737369 0.02642263 -0.01542984 -0.00286969 0.00826193 -0.00482668 +H 4.69666940 7.95888372 4.47866156 -0.01870539 0.01196765 -0.00408673 -0.07006221 -0.08259156 -0.02221504 0.00687037 -0.02169038 -0.00988159 +C 7.43233584 7.31175508 5.62536770 0.00345504 0.00785605 -0.00671785 0.00968870 0.04023339 -0.04718513 -0.00116069 0.00176859 -0.00118611 +H 6.72619328 6.51927987 7.26027516 0.01142530 -0.00681401 -0.00780374 0.10010414 -0.03191333 -0.04380272 0.00594087 0.00335089 -0.01821267 +O 7.33845518 7.64749205 4.41818677 -0.00061867 -0.00222861 0.00194372 -0.00531755 -0.01082760 0.01534877 -0.00084182 -0.00003755 -0.00017321 +C 8.77019016 7.26964150 6.29715890 0.00427403 -0.00229311 0.00282100 0.02914157 -0.01220824 0.02651055 0.00571401 -0.00277167 0.00372021 +H 9.11477239 6.29948034 6.39175993 -0.03811935 -0.01269993 0.01602728 -0.18195977 -0.17022203 0.07058282 -0.01543831 0.01403201 -0.00357754 +H 9.48386947 7.77103128 5.75126478 0.01285568 -0.00105400 0.01171563 0.15116266 0.02189789 0.01576385 -0.00227630 -0.01989197 0.01788248 +H 8.76151610 7.68773856 7.27584284 0.00093302 -0.01508449 0.01547875 -0.02719026 -0.05364799 0.08514889 -0.00662332 -0.00417611 -0.00857208 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98859235 5.81123185 5.65818280 0.00512817 0.00357502 0.00419921 0.02883222 0.01924595 0.03234616 0.00311785 0.00326736 0.00571222 +C 2.29813593 6.11488120 5.91719379 -0.00125878 0.00291167 -0.00146013 0.01247281 0.01949647 -0.01112119 0.00592034 0.00107550 -0.00190746 +H 0.77424824 4.96274671 5.21542699 0.01145284 0.00779988 -0.00586845 0.14272490 0.06557204 -0.03032122 0.01970637 -0.01325053 -0.01624688 +C 2.55825200 7.42321976 6.42993398 0.00245559 0.00335485 -0.00438306 0.02453341 -0.00056572 -0.02948413 0.00160280 -0.00252357 -0.00320451 +H 3.16468035 4.15958042 5.33245435 0.00065940 0.02721620 0.01213846 -0.05308669 -0.02866378 -0.03301588 -0.01359681 -0.03459200 -0.02013706 +C 3.94631202 7.75144666 6.56931387 -0.00630284 0.00064146 -0.00430294 -0.02114654 0.01169553 -0.03782843 0.00480877 0.00473558 -0.00521635 +H 1.80816740 8.09360116 6.70931316 -0.02109115 0.00061112 0.02672685 -0.02610343 -0.05835999 0.06202327 0.02755563 -0.02319508 -0.01682442 +C 4.99446017 6.89682650 6.14370210 0.00753491 -0.00429432 0.00413344 0.03821383 -0.02539098 0.02589686 -0.00202436 -0.00332995 0.00238704 +H 4.18267683 8.69586071 6.88964869 0.00628284 0.01152385 -0.00821020 0.00226349 0.06593425 0.00862337 -0.01608846 -0.02521905 -0.00185995 +C 4.73379881 5.63732931 5.60912706 -0.00270845 0.00147199 -0.00321761 -0.05179900 -0.02772004 -0.00678757 -0.01031156 -0.00565444 0.00246782 +N 6.32880457 7.31242120 6.29810261 -0.00493213 -0.00706365 0.00021885 -0.01089456 -0.03028054 -0.00374983 0.00224640 -0.00135130 -0.00027637 +C 3.37411926 5.21847543 5.61851929 0.00075304 -0.01291122 -0.00056031 -0.01252331 -0.04247831 -0.00282273 -0.00621467 0.00168320 -0.00020676 +H 5.41764432 4.79535210 5.33849078 -0.01189751 -0.01798428 -0.00530141 -0.00576172 0.11691426 -0.02034450 0.02567237 0.01959709 -0.00957166 +C 7.49587301 6.84284766 5.74879822 -0.00438969 -0.00058795 0.00256070 -0.03949426 0.02239674 0.03782243 -0.00403032 0.00460504 0.00594439 +H 6.44019850 8.23992534 6.68262213 0.02343724 -0.00034008 0.00477753 0.06981070 -0.10983670 0.07284656 -0.00725657 -0.01496240 0.02208668 +O 7.58285621 5.87436071 5.02954353 0.00039228 0.00712789 -0.00055337 0.00627175 0.03851153 -0.00996990 0.00090194 0.00442317 -0.00172562 +C 8.71188418 7.73434093 6.07529079 -0.00110973 -0.00150632 0.00051876 0.00625958 -0.02042734 0.00047117 0.00053415 -0.00005224 -0.00214951 +H 9.48551495 7.17321324 6.68928672 0.00807363 0.02567892 0.02271673 -0.06406815 0.14875641 0.06868498 0.00027956 -0.00593375 0.01384137 +H 9.22748117 8.00406581 5.18804882 -0.00372226 -0.00186660 -0.01895397 -0.06271582 -0.03057051 -0.07628762 -0.01526413 -0.01473687 0.01180153 +H 8.43770455 8.61484563 6.62703878 0.02760757 0.00575700 -0.00896587 0.10928645 0.08491166 -0.07102810 -0.00026723 0.00258179 -0.02005992 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02579726 5.83191519 5.80304583 -0.00540017 -0.00091245 0.00070803 -0.04649134 -0.01236062 -0.00787248 -0.00652471 -0.00272852 -0.00014097 +C 2.34668029 5.96691219 5.97970585 -0.00460401 -0.00953517 -0.00131154 -0.01145886 -0.04150403 -0.02843587 0.00097614 -0.00221116 -0.00554535 +H 0.83247906 5.91005963 4.87105148 -0.00791244 -0.01142417 -0.02256959 -0.08117832 -0.08117814 0.03716152 -0.02313710 -0.00945846 -0.00849092 +C 2.94163348 5.62402190 7.17114189 0.00509325 0.00272787 0.00553196 0.03278970 0.02534445 0.00498299 0.00178425 0.00245236 -0.00033350 +H 2.61455147 6.66784849 3.95280523 0.00657242 0.01398904 -0.02331426 0.09087855 0.11893392 0.03846361 0.00203802 0.01873133 0.01303578 +C 4.29338584 5.87056598 7.26870613 0.00873525 -0.00134659 0.00660581 0.08303627 0.00034086 0.04716042 0.01243257 0.00196606 0.00399006 +H 2.35617622 5.18036083 7.89718177 0.00132790 0.01976652 -0.03341990 -0.07614366 0.04171804 0.09752745 0.01578587 0.01419895 0.01638331 +C 5.11901492 6.38434474 6.21999136 -0.00354078 0.01061089 -0.00225981 -0.01598012 0.08727980 -0.02541248 -0.00199222 0.01157720 -0.00152506 +H 4.69632566 5.70295601 8.26824477 -0.00747753 -0.01350125 -0.00412403 0.09793614 -0.13355492 0.01717338 0.03602518 -0.01880741 0.00785518 +C 4.48336518 6.73451057 4.98175891 -0.00318103 0.00322547 -0.00586311 -0.01242186 0.00345222 -0.00845004 -0.00119544 -0.00177423 0.00380741 +N 6.52474691 6.64535833 6.36640963 -0.00359529 -0.00164943 -0.00401448 -0.05841783 -0.01949201 -0.01867813 -0.00893389 -0.00301931 -0.00168756 +C 3.10929839 6.52981613 4.91204826 0.00217797 -0.00004808 0.00511934 -0.01711223 -0.01190312 0.00448027 -0.00491795 -0.00304929 -0.00292278 +H 5.01692081 7.03579822 4.06650538 0.01295304 -0.00767991 0.00681493 0.04722480 0.01534260 0.06179135 -0.00020766 0.01480059 -0.00210213 +C 7.34561526 7.41609668 5.69531465 0.00036394 -0.00060526 -0.00422477 0.01401035 -0.00533318 -0.04239044 0.00265010 -0.00308513 -0.00473547 +H 6.94843139 6.19609033 7.14390122 -0.01951745 -0.01425881 -0.01974979 -0.06774999 -0.14812062 -0.04622423 -0.01072067 -0.01270959 -0.01259433 +O 7.06187809 8.13253181 4.71844906 0.00162033 0.00152670 0.00015025 0.00985129 0.01114837 0.00792332 0.00126868 0.00230810 0.00118966 +C 8.79802532 7.21314040 6.04401109 0.00230265 -0.00198126 0.00360760 0.03275371 -0.00083634 0.02520703 0.00551681 -0.00112655 0.00662714 +H 9.21117419 7.88432276 6.78094557 0.02784198 -0.01355019 0.01808551 0.03900294 -0.05617545 0.07127896 -0.01923062 -0.00001866 0.00052591 +H 9.00123867 6.22844079 6.38348151 -0.00849459 0.00575002 0.02401914 -0.04084534 -0.04173193 0.10137840 -0.00697382 0.00526594 -0.00459239 +H 9.35002140 7.43411953 5.07976978 0.01711193 -0.00223780 0.01056157 0.12569071 -0.10242919 0.15255955 0.03222320 -0.01996454 0.00438120 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.89999072 5.69228729 5.94238529 0.00098437 -0.00131058 -0.00407447 0.02543128 0.00597001 -0.02932506 0.00470801 -0.00014316 -0.00426409 +C 2.22572288 6.14626414 5.85467482 0.00047610 -0.00422088 -0.00294957 -0.01079796 -0.01560858 -0.00860666 -0.00013078 0.00050536 0.00079651 +H 0.87180824 4.77497399 5.92286180 0.00155536 0.01409588 0.00577070 -0.02897133 -0.03495942 0.01667252 -0.00525416 0.02254398 -0.00137130 +C 2.59041708 7.42139390 6.34007069 0.00634297 -0.00463616 -0.00235547 0.07051903 -0.02038985 -0.01270425 0.01108064 -0.00408392 -0.00286390 +H 2.95671539 4.27979503 5.13462576 0.01110938 0.00859502 -0.00077627 0.08971076 0.01998894 -0.10368611 0.01084194 -0.00561843 -0.02047774 +C 3.99346219 7.81992042 6.37435794 0.00049047 -0.00013444 0.00486324 -0.00708864 -0.01474264 0.04000485 -0.00248577 -0.00518758 0.00547770 +H 1.88996138 8.17051361 6.83665267 0.02646985 0.00071051 -0.01961460 0.04637449 -0.05053087 -0.19589123 -0.03223745 0.01032319 -0.01785930 +C 5.03684480 6.89999256 6.01882515 -0.00126735 0.00410664 0.00392160 -0.04146925 0.03420461 0.01948310 -0.00738673 0.00335232 0.00059540 +H 4.29925195 8.82249565 6.80385007 -0.00904058 0.00166894 0.00468995 -0.12408283 -0.05683893 -0.00759618 -0.01156882 0.01784936 0.00878175 +C 4.63188148 5.67490491 5.48243604 -0.01519266 0.00383263 -0.00333151 -0.08639170 0.01159578 -0.02716944 -0.00465383 0.00147528 -0.00185511 +N 6.31339878 7.35219924 6.18220300 0.00375684 0.00274037 0.00261071 0.03942409 0.01713415 0.01775556 0.00442291 0.00346128 0.00270821 +C 3.23141310 5.30590382 5.37684918 0.00201598 -0.00142310 0.00691581 0.01848902 -0.01751321 0.05589683 -0.00069455 -0.00423036 0.00739906 +H 5.34894838 4.98930090 5.07305921 -0.01080495 -0.02257682 0.01985748 -0.09729099 -0.08057749 0.18050779 -0.01525968 0.00327974 0.02170108 +C 7.55360626 6.82221336 5.90764279 -0.00334042 0.00333756 -0.00612935 -0.01401788 0.01996022 -0.05819214 0.00082143 0.00261710 -0.00951369 +H 6.30669623 8.25243515 6.55283690 0.00324490 0.01070170 0.00818119 0.10692777 0.04244503 0.03493904 0.02450426 -0.01794886 -0.00578454 +O 7.78569694 5.68672570 5.38416279 -0.00088895 -0.00122197 0.00097602 -0.01856054 0.01573695 0.02132828 -0.00450020 0.00489914 0.00441860 +C 8.72221384 7.83901403 6.05827093 0.00445225 0.00209650 -0.00050747 0.01892803 -0.03038862 -0.02219095 -0.00046126 -0.00980243 -0.00478916 +H 8.72967751 8.48720642 6.96480531 -0.00020878 -0.03310568 -0.01451057 -0.05516158 -0.08151372 0.01045359 -0.01356584 0.00904971 0.01703785 +H 9.64161512 7.21615287 6.09659513 -0.01065836 -0.00583399 0.00010589 -0.02070886 -0.02849784 0.03625185 0.01668159 -0.01001227 0.00801009 +H 8.81555344 8.36234402 5.08622255 0.00637785 -0.00739411 0.00410525 0.04389829 0.07967310 0.06915180 0.00769978 0.02990534 0.00651421 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04130441 5.80239635 5.75390841 0.00058261 0.00414925 -0.00053949 -0.01266627 0.02536823 0.01292824 -0.00255432 0.00298557 0.00139617 +C 2.35141234 5.98121300 5.76330941 0.00392259 -0.00282841 -0.00454923 0.02174764 -0.00385620 -0.03667633 -0.00001479 0.00175193 -0.00372721 +H 0.73463241 5.81863548 6.65305562 0.00032878 0.00929894 0.02321027 -0.00952408 0.07905096 -0.02652585 -0.01407484 0.01519471 0.00626069 +C 3.06969850 5.41418949 4.69852299 0.00239850 -0.00320155 -0.00111134 0.01892949 -0.02217679 0.02089537 0.00230285 -0.00403985 0.00502295 +H 2.44185106 7.22134596 7.56107900 -0.00756532 0.01331651 -0.03176210 -0.13728088 0.11090673 -0.10966158 -0.01014238 0.00175479 -0.01497960 +C 4.46325299 5.53118367 4.74633904 -0.00833264 0.00051400 0.00445917 -0.01587020 0.00937033 0.01022502 0.00543523 0.00283813 -0.00156675 +H 2.56194125 4.76994391 3.97498213 0.01895494 0.01355573 0.01359828 0.05376839 0.02461858 -0.06210714 -0.00223955 -0.00188086 -0.02333328 +C 5.13048482 6.35561384 5.69241527 0.00902710 -0.00785606 0.00375136 0.02287107 -0.04644946 0.02479259 -0.00298774 -0.00557394 0.00272252 +H 5.00953304 4.97495889 3.99599769 -0.00123343 0.03222066 -0.01936139 -0.01525865 0.23635125 -0.09751521 -0.00205966 0.02545068 -0.01013857 +C 4.32597925 6.94543496 6.70041592 0.00607377 0.00244387 -0.00440606 0.04983440 0.00029260 -0.01531420 0.00682866 -0.00185170 0.00245999 +N 6.49377358 6.57340107 5.58174794 -0.00056172 0.00121294 -0.00116575 -0.00112523 -0.00320011 0.00422339 0.00205086 -0.00327118 0.00146969 +C 2.95969611 6.79986757 6.73333954 -0.00159900 -0.00317798 0.00260237 -0.00472358 -0.03448929 -0.00008301 0.00101234 -0.00438720 -0.00165248 +H 4.72288048 7.30130548 7.61666466 0.01147619 -0.01857501 -0.00821493 0.17986242 0.10378838 -0.07277874 0.02013740 0.03816246 -0.02835437 +C 7.32418329 7.43058444 6.20719483 -0.00795569 -0.00159463 0.00677333 -0.01692183 -0.01676404 0.02925116 0.00264421 -0.00149093 0.00201183 +H 6.90781068 5.86209038 5.05607873 0.01600579 -0.00047827 0.01126990 0.14071911 0.05305071 -0.01145445 0.00351277 0.02929426 -0.00223931 +O 7.10744114 8.23495456 7.08743890 0.00024799 0.00485485 0.00184294 -0.01742598 0.03618005 0.01748120 -0.00490026 0.00468370 0.00253899 +C 8.78518644 7.30548715 5.77363237 -0.00804102 0.00078499 -0.00626933 -0.05045982 -0.00803447 -0.03871197 -0.00406986 -0.00314658 -0.00548509 +H 9.39709742 7.10972109 6.62208925 0.00163067 -0.02641255 0.00689446 -0.04995493 -0.13839746 -0.05253170 -0.02254074 -0.01293943 -0.02947554 +H 8.93448693 6.52762654 5.07642325 -0.01204746 -0.00279044 -0.02723501 -0.09844876 0.01833705 -0.13779011 -0.01742309 0.02304658 0.00078466 +H 9.08288550 8.21145001 5.28726787 0.02076817 -0.00217243 0.01221320 0.12663196 0.03485766 0.09599889 0.00177992 -0.00489357 0.02114657 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98734830 5.61883438 5.83730445 -0.00542660 -0.00102304 0.00035670 -0.01719453 0.00906275 0.01838942 0.00000468 0.00152958 0.00242492 +C 2.30141135 6.05667317 6.00199273 0.00006856 0.00118626 0.00231661 -0.02584618 -0.00928848 -0.00841344 -0.00720029 -0.00262796 -0.00299491 +H 0.87175814 5.06359683 5.09299119 0.00864570 0.00600660 0.02259284 0.02143393 -0.06607063 0.02102758 -0.00054789 0.00264654 0.01766433 +C 2.67826088 6.93724541 7.03315595 -0.00217859 -0.00648621 0.00046159 -0.00602993 -0.04104601 0.00233057 -0.00029139 -0.00305249 0.00170375 +H 2.97812811 5.10840012 4.13144679 0.01730468 0.00371576 0.01451750 0.00933923 -0.09705028 0.07428890 -0.01184797 -0.01672134 0.02038132 +C 4.02955185 7.35818640 7.11606827 -0.00142374 0.00497468 -0.00399445 -0.00997274 0.02084087 -0.00497179 -0.00277013 -0.00064838 0.00027015 +H 1.93135125 7.16871221 7.73298666 -0.00619977 0.01516796 -0.00487246 0.00044926 0.12664121 0.00728410 0.02001571 0.00631901 -0.00996084 +C 4.99016407 6.88300619 6.15996221 -0.00210221 -0.00146002 -0.00230716 0.00336286 0.00184446 -0.01255130 0.00191103 0.00161836 -0.00154062 +H 4.34453520 7.86934824 8.00649670 -0.02375199 0.02135663 0.04665441 -0.17128451 0.08879949 -0.05386665 -0.01178054 0.01326545 -0.04495783 +C 4.57890970 6.01032281 5.13855489 -0.00575277 -0.00208239 -0.00343558 -0.01640270 -0.00788499 -0.03841437 0.00263836 0.00118755 -0.00478904 +N 6.34494967 7.30665642 6.28211822 0.00084579 -0.00591331 -0.00067825 -0.00158039 -0.03289494 0.02110706 -0.00113587 -0.00351498 0.00635648 +C 3.24485056 5.62048302 5.02863040 -0.00129210 0.00680078 0.00318024 -0.01788329 0.05229190 0.02579145 -0.00422922 0.00492541 0.00077458 +H 5.17979395 5.71429380 4.32257901 0.02961309 -0.02866060 -0.01474316 0.08336248 -0.12142685 0.11065624 -0.01138316 -0.00615619 0.03743677 +C 7.50999834 7.01391502 5.67258674 0.00229203 0.00206065 -0.00042500 -0.00363851 0.00397284 -0.02516045 -0.00231766 -0.00069835 -0.00520239 +H 6.46880445 7.96866876 7.02930407 -0.01460573 -0.02004622 0.00564950 -0.04008847 -0.11867667 0.10427625 0.00637899 -0.01593433 0.01866045 +O 7.45593999 6.43038174 4.61107106 0.00873511 0.00083704 -0.00135512 0.06835193 -0.00077115 -0.01813159 0.01035044 -0.00102252 -0.00407012 +C 8.88490440 7.39386289 6.21739753 -0.00017670 0.00117160 -0.00122739 -0.00315616 0.00471446 0.03010391 0.00109600 -0.00027395 0.00515632 +H 8.88348072 8.32836422 6.85388293 0.00407964 -0.00129005 0.00070492 -0.00358523 -0.00615937 -0.08899132 -0.00942412 0.02311264 -0.00108490 +H 9.13529450 6.61762302 6.96949429 0.04256701 -0.00395779 -0.01044510 0.20257894 0.01544005 -0.13142645 0.01379893 -0.00444070 -0.01027865 +H 9.67481764 7.33099498 5.48671637 0.00397673 0.01936601 0.02992890 0.05587083 0.20080673 0.03214442 -0.01076518 0.03357844 -0.01116925 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95542055 5.73572904 5.81163739 0.00085370 -0.00173793 -0.00018441 0.00457092 -0.01276624 0.00050960 0.00121168 0.00040384 0.00120484 +C 2.26932426 6.11058065 5.94247068 -0.00503660 -0.00206006 -0.00164001 0.02121180 -0.03153095 -0.01617693 0.00798385 -0.00570058 -0.00268678 +H 0.78610566 4.84634223 5.43491647 -0.01058210 -0.00745033 0.00414075 -0.00948024 0.00413642 0.06413399 0.00126393 -0.02614260 0.00018174 +C 2.62704981 7.44653745 6.26899123 0.00617105 -0.00177968 -0.00099461 0.03702853 -0.02868239 -0.00775723 0.00525200 -0.00692117 -0.00204595 +H 3.11553960 4.14500591 5.43918229 0.02423007 0.00781127 0.00109141 0.13853769 -0.07605611 0.03472256 0.00283949 -0.02449541 0.00595589 +C 3.98396537 7.84837598 6.26011593 0.00798180 0.00835586 0.00318766 0.01773922 0.03516250 0.00486573 -0.00309287 0.00468375 -0.00123433 +H 1.80384506 8.13420975 6.58972536 0.00837398 -0.01834878 -0.01490438 0.05381913 -0.02600257 -0.13652366 -0.00864305 0.02238255 -0.01578308 +C 5.00801166 6.95373042 5.89035339 -0.00857293 0.00283975 -0.00023896 -0.01723601 0.02230636 0.03854298 0.00415041 0.00329783 0.01064601 +H 4.20388129 8.85743360 6.51890944 -0.01139122 -0.01715447 -0.02561839 0.01160469 0.13262447 -0.07655013 0.00729937 0.01697278 -0.00197080 +C 4.70540129 5.57839761 5.70324555 -0.00277167 0.00308620 0.00536125 -0.02957522 0.04186869 0.03551371 -0.00329142 0.00441009 0.00371159 +N 6.31249081 7.41539510 6.20244628 0.00176880 -0.00091594 0.00163244 -0.01176162 -0.00801841 -0.00778506 -0.00519772 0.00006225 -0.00281466 +C 3.38662603 5.17108287 5.73178661 -0.00231188 -0.00732162 -0.00456537 -0.06524072 -0.01941663 -0.03720263 -0.01038339 0.00098337 -0.00552471 +H 5.42106747 4.85683924 5.55861441 -0.00125241 0.03299975 0.01030671 0.13601806 0.05479714 0.03180215 -0.01095418 0.01506532 0.00775119 +C 7.48215051 6.86070629 5.82418639 -0.00027030 -0.00360454 -0.00095684 -0.00148716 0.01485388 0.01966206 0.00043961 0.00612441 0.00515358 +H 6.35472672 8.32462568 6.58043776 -0.02493082 0.01538288 -0.00228483 -0.06396754 -0.00687827 0.01463876 0.01032673 -0.02360680 0.00336162 +O 7.58354366 5.94571483 5.09010694 -0.00462708 0.00451108 0.00068257 -0.02906596 -0.00158186 -0.01611235 -0.00348891 -0.00392695 -0.00450596 +C 8.73260295 7.56196468 6.27288757 0.00976299 -0.00172664 -0.00013787 0.04893088 -0.01089623 0.00339788 0.00609920 -0.00334206 0.00118162 +H 8.67828649 7.72597996 7.33230143 0.00984775 0.00462455 0.00660916 0.08481923 0.08185756 0.00849717 0.01601437 0.01157415 -0.01258761 +H 9.61901966 7.04810651 6.09004962 0.00214563 -0.00491954 -0.00868562 0.08232675 -0.09661814 -0.10736266 -0.01295729 0.00203086 -0.00977098 +H 8.71971968 8.48379708 5.65721242 -0.02014125 -0.01789059 -0.00142740 -0.01695468 -0.01069121 0.03576518 0.01789597 0.01914344 0.00473286 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92988062 5.76013649 5.94826342 -0.00134619 -0.00008311 -0.00172542 -0.00326058 -0.00493626 -0.00194090 -0.00113470 0.00031549 -0.00148630 +C 2.28944942 5.99527009 5.97568138 -0.00472855 0.00203362 0.00300832 -0.02422650 0.00378617 0.00273893 -0.00131412 -0.00085454 -0.00201180 +H 0.39575068 6.08945947 5.27674031 0.01974409 0.01639887 0.00623497 0.12967842 0.16240785 -0.04465325 0.03194229 0.00775426 0.01515875 +C 3.11431013 5.42861141 6.99618645 -0.00929372 0.00135395 -0.00278534 -0.05928446 0.01093020 -0.01289096 -0.00521369 0.00216804 -0.00113680 +H 2.26597619 7.02959841 4.07437252 0.00958672 -0.01236034 0.02778379 0.02475757 0.03945995 0.03770362 0.00912546 0.01584583 -0.00622670 +C 4.51506563 5.67409634 7.07430420 0.00002122 -0.00004635 -0.00230029 -0.03305069 -0.00419168 -0.01324554 -0.00798211 -0.00125428 -0.00150228 +H 2.60182636 4.81739570 7.75874037 -0.01827486 -0.00496655 -0.00974913 -0.04639176 0.00151148 -0.07209471 -0.00467682 -0.00543018 0.00442369 +C 5.09310510 6.52576134 6.13087839 0.00931848 -0.00463518 -0.00308481 0.03789820 -0.03702794 -0.03321439 0.00099421 -0.00629482 -0.00405263 +H 5.02349561 5.27906933 7.91291469 0.01758901 -0.00470787 0.00044654 0.08423753 -0.02010653 -0.06756909 -0.00823805 0.00215584 -0.02584615 +C 4.29442351 6.99904838 5.02572127 -0.00223513 -0.00149658 -0.00138512 0.00133941 -0.00811222 0.02083935 0.00391858 -0.00205401 0.00739130 +N 6.42253620 6.80894800 6.38195950 0.00545056 -0.00012878 0.00543722 0.04688353 -0.00565253 0.04192100 0.00653301 -0.00167745 0.00695270 +C 2.88227761 6.68226349 4.89483558 0.00331758 -0.00208342 0.00120684 0.04783546 -0.01333357 0.03862570 0.00674031 -0.00096668 0.00813663 +H 4.80722316 7.81330955 4.45222368 0.00933542 -0.01216800 0.02582942 -0.02761818 -0.12155022 -0.07073625 -0.00696485 -0.00536056 -0.05232185 +C 7.45007909 7.29616992 5.64789366 -0.00501195 -0.00190947 0.00462211 -0.02638739 0.00828186 0.03516298 -0.00103187 0.00587663 0.00220925 +H 6.67124402 6.48913066 7.29766907 0.01790476 0.02834319 0.00570667 0.14513932 0.17280719 0.07440238 0.01177234 0.01760206 0.00625584 +O 7.24767750 7.75534828 4.55438764 0.00185318 0.00110121 -0.00027875 0.01747866 0.00667760 -0.01148322 0.00271163 0.00016325 -0.00170988 +C 8.85078202 7.41830808 6.35213952 -0.00572478 0.00759632 -0.00554726 -0.03768736 0.02438520 -0.02738447 -0.00506550 -0.00188486 -0.00271511 +H 9.74876988 7.65391355 5.75591993 0.01431461 -0.01332194 -0.00143089 -0.09448827 -0.02436006 -0.06955610 -0.03061719 0.00885687 -0.02693595 +H 8.76621363 8.07881077 7.24503480 0.01457073 0.00192694 -0.00786257 0.09290872 0.07915532 -0.10342773 0.00882654 0.02310422 -0.00756500 +H 9.11445048 6.50430544 6.83863115 0.00227519 -0.02320007 -0.01604525 -0.07051170 -0.05632143 -0.18021222 -0.02028544 0.01391295 -0.02811667 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01538241 5.78570179 5.63725919 -0.00491751 -0.00050398 -0.00204659 -0.04919648 -0.01339380 -0.01456292 -0.00768102 -0.00008784 -0.00119826 +C 2.26905886 6.13078743 5.92171244 -0.00677502 -0.00197853 0.00329680 -0.01551727 0.00761927 0.02908053 0.00064258 0.00232831 0.00407134 +H 0.91994849 4.83571370 5.46650052 -0.01089523 -0.01483621 -0.00312665 -0.07118790 0.02819272 -0.00115151 -0.01288918 -0.02001547 -0.00466011 +C 2.62688997 7.47609143 6.17185746 0.00175009 -0.00273692 0.00354537 0.00155597 -0.02290834 0.01394676 -0.00081529 -0.00216319 0.00064058 +H 3.04960870 4.24369542 5.45810405 -0.01584737 0.01063049 0.00129512 -0.06370575 -0.05073520 0.11489281 0.00522146 -0.00665386 0.03400018 +C 3.99077910 7.84031763 6.28774329 -0.00382842 -0.00470840 -0.00313675 0.00112503 -0.02729056 -0.02042643 0.00229198 -0.00231609 -0.00241137 +H 1.82835071 8.20031999 6.15285606 0.01111194 0.00692109 -0.00628381 0.08773955 0.06658165 0.04220061 0.01018905 0.00563721 0.01681461 +C 5.06758290 6.90127962 6.07047453 0.00122617 0.00605946 -0.00351785 -0.01451459 0.02508896 -0.00720096 -0.00280668 -0.00006621 0.00101237 +H 4.28295210 8.86799988 6.50624552 -0.00280721 -0.00797837 -0.00088979 -0.08077156 -0.02547025 -0.02374352 -0.01356843 0.00813703 -0.00415007 +C 4.63980283 5.55395590 5.84467732 0.00074365 0.00304141 -0.00510144 0.02435128 0.02192851 -0.02573062 0.00340067 0.00330817 -0.00165227 +N 6.39801942 7.30574046 6.26165271 0.00759434 0.00149358 0.00143376 0.00023417 0.02562535 0.00285556 -0.00699664 0.00399990 -0.00194021 +C 3.29528559 5.19915957 5.83541811 0.00097225 0.00294596 0.00538323 -0.00701980 0.01027584 0.00959544 -0.00258221 -0.00122179 -0.00275713 +H 5.33819813 4.73303433 5.68251144 -0.01408424 -0.02314873 0.00954156 -0.03860117 -0.00845422 0.05497349 0.01517076 0.01401936 0.00230631 +C 7.47371579 6.88756529 5.72601092 -0.00152116 0.00273783 -0.00406463 0.01894995 -0.02647165 -0.02698432 0.00585529 -0.00708116 -0.00154256 +H 6.60118476 8.20512760 6.71722611 0.02074567 -0.00577666 -0.00535831 0.00566586 0.00209541 0.00760909 -0.01613072 0.01723458 0.01241218 +O 7.62712915 5.75867965 5.22637604 0.00532110 -0.00165739 0.00012481 0.03635547 0.00095593 -0.00405288 0.00502887 0.00077883 -0.00177426 +C 8.59637216 7.79224629 6.07238671 -0.00358830 -0.00248702 0.00596042 0.00987669 -0.00453911 0.02547241 0.00372025 -0.00087496 0.00784651 +H 8.44630372 8.05936704 7.05689939 -0.00099442 -0.00253633 0.00006730 0.04497994 0.06986597 0.12613353 0.01815493 0.00558996 -0.01411956 +H 9.57798028 7.23712935 6.08094086 0.01160737 0.01580171 -0.00853500 -0.01574191 0.12064199 -0.09733883 0.01094923 -0.00259470 -0.01459566 +H 8.61420331 8.76226738 5.42192575 0.02054724 0.00023073 -0.00431373 0.10807764 -0.16719819 0.05898955 0.00656088 0.00845762 -0.01591792 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96479273 5.70770152 5.77221455 0.00286207 -0.00025870 0.00066846 0.04002444 0.00163162 0.01540515 0.00807526 0.00057766 0.00376789 +C 2.32614804 6.02569776 5.94810075 0.00272392 0.00002288 0.00313155 -0.00336141 -0.00819744 0.02230009 -0.00187356 -0.00152823 0.00135569 +H 0.67660900 5.26453669 4.94748196 0.02912192 0.01305698 -0.00140637 0.23027582 0.10723668 -0.06494619 0.02604937 0.01258754 -0.02138337 +C 2.89648342 6.01856879 7.27243346 0.00690837 -0.00244574 0.00075046 0.03084328 -0.02737649 -0.04258539 0.00304529 -0.00453476 -0.00985565 +H 2.70169343 6.68680832 3.88604018 -0.03938118 0.00125499 -0.01906995 -0.17036224 -0.19512147 0.03896768 0.00345997 -0.04915025 0.02639519 +C 4.23473081 6.40836074 7.37306240 0.00106651 0.00171948 -0.00169802 0.03007175 0.00395859 0.00288189 0.00644702 -0.00039455 0.00184498 +H 2.28104021 5.56050695 8.05845269 0.00829793 -0.00346972 -0.01433492 0.07769712 0.09755335 0.04028625 0.00841585 0.02483280 0.02333180 +C 5.09744455 6.65608858 6.29014001 -0.00172528 0.00284052 -0.00456440 -0.03172945 0.03476402 -0.03914765 -0.00531441 0.00707019 -0.00336635 +H 4.71427664 6.41147891 8.33493443 -0.00210719 0.01358329 -0.01326309 -0.01917773 0.06666189 0.04711660 -0.00411231 0.00394587 0.01599346 +C 4.46498427 6.69697253 4.98452200 -0.00417598 0.00393316 0.00293718 -0.01995968 0.02845382 0.02088985 -0.00142078 0.00373513 -0.00038083 +N 6.42083551 7.06708830 6.52750403 -0.00544174 0.00299972 -0.00103568 -0.01819412 0.01887123 -0.02751528 -0.00251693 0.00200759 -0.00676588 +C 3.09623175 6.38421208 4.82069329 -0.00028453 -0.00202579 0.00046394 -0.01081646 0.00852713 0.00324712 -0.00462328 0.00337692 0.00167479 +H 4.94211112 7.12542246 4.12920937 0.01102715 -0.01934508 -0.00678546 0.08818986 -0.17080118 -0.00173986 0.00390610 -0.02487037 0.01092067 +C 7.44948364 7.09957883 5.61415171 -0.00472503 -0.00382474 -0.00114467 -0.04675901 -0.02058292 0.00668188 -0.00476832 -0.00119185 0.00073679 +H 6.77679847 7.34379306 7.43366569 0.00423235 0.02890409 -0.00238868 -0.15527731 0.12915659 -0.03970990 -0.03818228 0.00991635 -0.00245938 +O 7.36197311 6.74237272 4.46577180 -0.00035621 -0.00212287 -0.00389794 -0.00499858 -0.02024239 -0.03504250 -0.00114944 -0.00338218 -0.00472510 +C 8.73646281 7.67110185 6.07794826 0.00190539 -0.00280907 0.00665503 0.01057297 -0.00976794 0.06160526 -0.00032256 -0.00382298 0.00970314 +H 9.22402097 8.23726461 5.21826033 0.01787770 0.00418293 0.03797124 0.08528855 0.07790956 0.27544824 0.01337013 0.03209502 0.01576694 +H 8.51198872 8.33417231 6.96489619 -0.01190224 -0.01802688 0.02326301 0.02747043 -0.13616608 0.05201444 0.01286552 -0.00433871 0.02419174 +H 9.43538215 6.90343426 6.43146489 -0.00150014 0.00682946 -0.01615804 0.02297075 -0.05979059 -0.08085795 0.00449770 -0.02069185 -0.00395318 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00592787 5.79393750 5.86498014 0.00575105 0.00512604 0.00037552 0.01294109 0.02978817 0.00594840 -0.00200979 0.00178353 0.00128761 +C 2.32804430 5.88169312 5.78359668 -0.00332736 -0.00760016 0.00729167 0.02222641 -0.02319771 0.05398656 0.00826618 0.00299779 0.00752388 +H 0.72033617 6.66458741 6.01242488 -0.02458025 0.01871007 -0.00956297 -0.15780695 -0.04840116 -0.10002282 -0.01871634 -0.01620698 -0.01790818 +C 3.25464915 4.81500830 5.95869390 0.00242207 0.00229159 0.00319009 -0.01787787 -0.02037909 0.01554070 -0.00475509 -0.00676999 0.00075032 +H 2.15135254 8.04451371 5.72133529 0.02168332 -0.00885704 0.01681181 0.07348258 0.00390218 0.01230041 -0.00963676 0.01265016 -0.01410113 +C 4.63029222 4.97497486 5.98612483 0.00458981 -0.00668424 -0.00695114 0.01554389 -0.01878644 -0.02477277 -0.00121507 0.00198507 -0.00011831 +H 2.88155257 3.80040273 6.12139356 -0.01381930 -0.01317640 -0.01425573 -0.06147465 0.03940818 -0.10830686 -0.00997526 -0.00059586 -0.01049138 +C 5.13019687 6.31136268 5.95216354 -0.00132664 0.00114136 0.00391675 -0.00179868 -0.00223139 0.01022506 0.00025769 -0.00097480 -0.00160185 +H 5.14005251 4.04086829 6.24269420 -0.01540438 -0.01198158 0.00389996 0.08883489 0.01831129 -0.09825708 0.03877847 0.01072231 -0.02999273 +C 4.21220904 7.39199372 5.80199204 -0.00278680 0.00190591 -0.00194356 0.00877051 0.01111989 -0.02070286 0.00463452 -0.00072094 -0.00307967 +N 6.53025344 6.46074691 5.94600324 -0.00354673 0.00560513 -0.00079179 -0.02210059 0.04039345 -0.01592665 -0.00338051 0.00556432 -0.00345488 +C 2.83077322 7.17501998 5.72321146 0.00040983 -0.00334352 -0.00465637 0.01286480 -0.02242253 -0.02044736 0.00439290 -0.00312745 -0.00074278 +H 4.60844894 8.39134000 5.64702558 0.01523594 0.00922619 0.00495634 -0.00931299 0.00396712 0.10390386 -0.01305972 0.00334431 0.01881841 +C 7.34825838 7.55593858 5.84259348 0.00061701 0.00096499 -0.00507974 -0.01010722 0.00100343 0.00110024 -0.00307095 0.00028209 0.00555899 +H 7.05769424 5.60092472 5.97701594 0.00021969 -0.01021183 -0.00218667 -0.08153199 0.03814106 -0.01397494 -0.01099718 0.00786461 -0.00144594 +O 6.99890446 8.74426173 5.96605008 -0.00014534 0.00390615 -0.00126425 0.00348120 0.01228832 -0.02046081 0.00124580 -0.00059292 -0.00455068 +C 8.80815002 7.13925774 6.00904330 -0.00116180 -0.00456204 0.00559995 -0.01289248 -0.02455028 0.03167446 -0.00162791 -0.00176742 0.00105372 +H 9.37375390 7.05588275 5.13503124 0.00217170 0.00713998 -0.01093244 -0.02937389 0.09966988 -0.05469835 -0.01963306 0.02311203 0.02377470 +H 9.30143523 7.87338029 6.66123665 -0.01523220 -0.01729746 0.03330655 -0.08033847 -0.17718232 0.19945786 -0.00384778 -0.02508280 0.01959015 +H 8.75382124 6.11743816 6.45479110 -0.00324533 -0.00550526 -0.01322475 0.10462781 -0.02201148 -0.04406669 0.02418130 -0.01556075 0.00021211 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02050562 5.69146547 5.85488538 -0.00752190 0.00193684 0.00225959 -0.04569055 0.01309936 0.01030389 -0.00491757 0.00424441 0.00138182 +C 2.31410138 6.13629157 5.87062313 -0.00224533 -0.00261742 -0.00188126 -0.01259930 -0.03151455 -0.01592803 -0.00146612 -0.00603832 -0.00263624 +H 0.96309566 4.76035442 5.55785407 -0.01669350 -0.00727937 0.00917300 -0.13180855 0.03440053 0.10373296 -0.02195124 -0.02018324 0.00958486 +C 2.59736554 7.48364577 6.11880405 0.00749456 -0.00342439 -0.00722902 0.04620886 -0.02437276 -0.05079633 0.00350750 -0.00275726 -0.00667173 +H 2.98722253 4.23002749 5.41954034 -0.00310067 -0.00854519 -0.00511366 0.16454607 -0.10213695 0.06453739 0.03930278 -0.01294472 0.02144911 +C 3.95510412 7.84941820 6.20969950 0.00977648 -0.00240043 -0.00115557 0.03331921 0.03177540 0.00611789 -0.00059434 0.01099549 0.00318768 +H 1.84087802 8.19266323 6.22037947 -0.02588381 -0.00357457 -0.00322396 -0.03655593 -0.08344280 -0.00700605 0.03098110 -0.02569328 -0.00209381 +C 5.00677418 6.97721448 6.06527491 -0.00185001 0.00513397 0.00255037 0.01349716 -0.00810655 0.01924081 0.00476966 -0.00715056 0.00286103 +H 4.17536543 8.84268064 6.46068170 -0.00850461 0.01341125 0.02659465 -0.04107713 0.03969852 0.10026392 -0.00092939 -0.01205275 -0.00349128 +C 4.75401087 5.62112602 5.84384152 -0.00643552 -0.00245484 -0.00242295 -0.08333085 -0.01556411 -0.00827011 -0.01316461 -0.00035878 -0.00022972 +N 6.29264232 7.37452172 6.34382212 0.00290453 0.00407711 0.00421647 0.02788146 0.01363979 0.00862053 0.00496908 0.00203983 0.00038037 +C 3.36841497 5.20175995 5.68727660 -0.00253745 -0.00622855 0.00234581 -0.01964503 -0.02982889 0.01156048 -0.00416508 -0.00353926 0.00089310 +H 5.55372465 4.88337525 6.01092972 -0.01216643 0.01995404 -0.00866423 -0.04656085 0.00483428 -0.20758965 -0.00504487 -0.01913935 -0.04386437 +C 7.42673088 6.87832017 5.77357107 -0.00227189 -0.00835769 0.00405572 0.01730549 -0.03573002 0.03733542 0.00774188 0.00008184 0.00740994 +H 6.39256548 8.11053244 6.97059634 -0.00151589 0.00027605 -0.01946311 0.04138257 0.14487401 -0.03501991 0.00771161 -0.00200673 -0.02045567 +O 7.50186834 5.93487700 4.94597221 0.00276028 0.00665982 -0.00226512 0.01157813 0.05309291 -0.00904933 0.00044852 0.00734305 -0.00089572 +C 8.76360244 7.53425389 6.24115413 0.00409757 0.00089846 -0.00203483 0.02920697 -0.00179710 -0.00313997 0.00135695 -0.00150351 -0.00187467 +H 8.98337075 7.19044608 7.31054064 0.01853853 0.02155235 0.01290338 0.07554418 0.15117922 -0.08701718 0.01255542 0.00534179 0.00748998 +H 9.62441736 7.21893271 5.63377323 0.01629381 -0.00611191 -0.01152865 -0.03173243 -0.01845538 -0.01741471 -0.01120953 0.00102159 -0.00119181 +H 8.83039417 8.64046167 6.25317158 -0.00358491 0.00898665 0.00959291 -0.12527371 -0.03913847 -0.00795902 -0.02553285 -0.00422648 -0.01545291 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03176578 5.86872094 5.87939217 0.00213074 -0.00228485 0.00286508 0.00898604 -0.00084136 0.01527934 -0.00143558 -0.00071215 0.00309931 +C 2.35875435 6.22548606 5.81929279 -0.00888789 0.00401342 -0.00415135 -0.05095405 -0.00927597 -0.01816897 -0.00062185 -0.00525942 -0.00077767 +H 0.90239681 5.07789084 6.32408321 0.01813719 0.01714793 0.01259820 0.07859134 0.00880239 0.12296937 0.00651561 0.02378938 -0.00217113 +C 2.72783363 7.54263174 5.52292763 0.00993628 0.00741106 -0.00009087 0.04398341 0.01919975 0.00097052 -0.00198471 -0.00349444 0.00014884 +H 2.93838577 4.13580350 6.24087641 0.01237615 0.01740513 -0.00226174 -0.00280620 -0.06825012 0.02406718 -0.00723939 -0.01625878 0.00583186 +C 4.10329508 7.83821462 5.52088600 -0.00409085 0.00260890 -0.00358787 -0.04161508 0.01363344 -0.02212747 -0.00116083 0.00022980 -0.00190487 +H 1.93552421 8.27093278 5.30815601 0.02677578 -0.00409214 -0.00324826 0.13957862 0.09592053 -0.03400119 0.00763579 0.02879555 -0.00431806 +C 4.97967130 6.83359639 5.83765048 0.00086361 -0.00546370 -0.00489210 0.01685807 -0.03599117 -0.03441458 0.00119809 -0.00034323 -0.00558196 +H 4.33332887 8.85458807 5.27563022 -0.00747590 -0.00039368 0.00206976 0.04855668 0.02873198 0.02987617 0.01120058 -0.00303289 0.00656759 +C 4.63368963 5.44809718 6.04350968 -0.00063200 -0.00195789 -0.00117250 -0.00215369 0.01516849 -0.01200045 -0.00131533 0.00412542 -0.00242083 +N 6.24501126 7.33420455 5.85950610 -0.00345575 0.00181337 0.00176401 -0.00812267 0.02155752 -0.00197528 0.00140778 0.00254494 -0.00210085 +C 3.26153228 5.15644427 6.05942694 -0.00396357 -0.00935365 0.00573710 -0.01628384 -0.01778750 0.02648090 -0.00156453 0.00398408 0.00144937 +H 5.45892214 4.74800096 6.19958163 0.01365481 0.01153276 -0.02602720 -0.04243862 -0.02056613 -0.11743128 -0.01698885 -0.01970930 -0.00277323 +C 7.44912330 6.83646595 6.05989884 -0.00347361 0.00013758 -0.00247654 -0.01636600 -0.02325955 -0.00291144 0.00070989 -0.00527050 0.00176718 +H 6.31297380 8.28199199 5.54992969 0.00671414 0.01157907 -0.00709187 -0.01384263 0.01624004 0.01074148 -0.01014822 -0.00039067 0.00811247 +O 7.67876028 5.67266141 6.42771141 0.00368270 -0.00595175 0.00311822 0.02324396 -0.02352140 0.01435306 0.00242841 -0.00046317 0.00076059 +C 8.54038409 7.83996290 5.82091643 0.00142130 0.00423100 0.00173037 0.02685029 0.02317031 0.00818272 0.00663583 0.00063568 0.00091812 +H 8.44423916 8.78312279 6.36723376 -0.00051012 0.00673416 0.00654272 0.00674121 -0.02641545 0.07101628 0.00004454 -0.01179651 0.01578335 +H 9.43225013 7.33485442 6.00660224 0.00736372 0.00078004 -0.00367589 0.10146001 0.04158307 0.10906902 -0.00698412 0.02555789 0.01516024 +H 8.80539779 8.03199654 4.78732821 -0.01611034 0.02545655 0.00770887 -0.24170255 0.19151038 -0.01587385 -0.04195576 0.02059268 0.00201732 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.06031131 5.56994046 5.82747382 0.00103271 -0.00547212 0.00216386 0.01001168 -0.03936800 0.01777239 0.00087928 -0.00483653 0.00137232 +C 2.36849803 5.90366506 5.93197990 0.00084698 0.00439199 -0.00660726 -0.00678360 0.02915490 -0.04761240 -0.00202238 0.00191220 -0.00347477 +H 0.64467741 6.11023652 5.15813900 0.00702974 -0.02635670 0.01365955 -0.07144392 -0.12698045 -0.02451367 -0.01451177 -0.02169081 -0.00267283 +C 3.06645459 5.42969141 7.01875771 0.00478094 0.00516037 -0.00394962 0.01124393 0.03045499 -0.01583811 -0.00233706 0.00417795 -0.00295210 +H 2.32661736 7.27709329 4.23674541 -0.00923929 -0.01340516 0.03051962 -0.11376512 -0.03638744 0.01299106 -0.00465557 0.00062208 -0.01208692 +C 4.37383445 5.82851671 7.16355957 -0.00410574 0.00035933 -0.00084736 0.00620338 -0.00157682 0.02680542 0.00407460 0.00030811 0.00585413 +H 2.60874638 4.86760342 7.83035199 -0.00998722 -0.00190217 0.00172688 -0.03696533 0.00210627 -0.11322794 -0.00481094 -0.00462801 -0.01837850 +C 5.02501828 6.60942870 6.19818259 -0.00382567 -0.00751635 0.00726092 -0.00411664 -0.01076103 0.01220424 0.00345842 0.00459934 -0.00440212 +H 4.93451826 5.54284058 8.06225091 0.00073038 0.00917335 0.03462140 -0.11376142 0.04052062 0.01999209 -0.01072538 -0.00742253 0.00022822 +C 4.27634115 7.20777910 5.09750577 -0.00451427 0.00076157 -0.00254192 -0.01755787 -0.02849795 0.01842945 -0.00015657 -0.00896837 0.00969775 +N 6.39810314 6.81331991 6.47344865 0.00029421 0.00233668 -0.00398735 0.01582897 0.02914641 -0.05259450 0.00121487 0.00426477 -0.00652797 +C 2.93676802 6.80808259 4.98179291 -0.00126846 0.00490111 0.00164302 -0.01759902 0.02769127 0.02639019 -0.00555717 0.00408466 0.00269887 +H 4.62722063 7.88851166 4.26136226 -0.02126891 0.00533652 0.01999230 0.02525015 0.05507860 0.19005206 0.03215739 0.02117221 0.01140822 +C 7.43198632 7.27079457 5.63219348 -0.00161215 -0.00102587 -0.00411698 -0.02273818 -0.01719840 0.02624794 -0.00184769 -0.00218949 0.00690703 +H 6.76557812 6.57597796 7.36970012 -0.00748948 0.02631043 -0.00732070 -0.07727151 0.11322021 0.02971106 -0.01439939 0.00997165 -0.00658976 +O 7.22336334 7.63969929 4.51455582 0.00948304 0.00169740 0.00234296 0.06258208 0.01768307 -0.00729275 0.00800242 0.00280337 -0.00326139 +C 8.87960803 7.31993116 6.22584193 0.00037192 -0.00367755 0.00026480 -0.02814122 -0.02443718 -0.00378416 -0.00585100 -0.00544595 0.00044331 +H 8.88095859 7.08487929 7.24964107 0.01330306 -0.00141050 -0.00942300 0.05491063 -0.11310136 0.05420579 -0.00153412 -0.01255122 -0.00870772 +H 9.44988728 6.65052014 5.65352332 -0.01091082 -0.00988868 0.01090986 0.05046956 -0.11413574 0.03035221 0.00137742 0.00609570 0.01056925 +H 9.36818156 8.28140974 6.25336766 -0.02203150 -0.00038682 -0.00482821 -0.14242532 0.06129984 -0.14555094 -0.01874763 -0.00043072 -0.02909462 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95961889 5.68277478 5.99914562 0.00357150 0.00602131 -0.00274728 0.05553433 0.04128747 -0.02516230 0.01042115 0.00298309 -0.00571923 +C 2.31367117 6.04679284 5.93064923 0.00953968 -0.00268118 -0.00096672 0.03145721 -0.01923750 -0.00012736 -0.00090087 -0.00221246 0.00084839 +H 0.88651775 4.96586939 5.43746757 0.00236326 0.00592358 0.01925436 -0.08560155 -0.05341150 0.06976411 -0.01456564 0.01902273 0.02576716 +C 2.71452630 7.05952805 6.79319741 -0.00164324 -0.00452227 -0.00089640 0.01809483 -0.01928373 -0.00013805 0.00230069 0.00071279 0.00558685 +H 2.92042932 4.78426310 4.28783421 0.00751411 0.00548399 0.01504056 0.07441216 -0.08939120 0.02902051 0.00538024 -0.03082235 -0.01120371 +C 4.03254613 7.57051607 6.75103460 0.00576214 -0.00425955 -0.00150441 0.02063208 -0.01501063 0.02496048 -0.00112492 0.00002504 0.00783060 +H 2.10525713 7.42943432 7.47402514 -0.00429380 -0.02250565 0.00563034 -0.14695447 -0.05386336 0.08839247 0.01772065 -0.01425165 -0.03481588 +C 5.00302523 7.02124663 5.94723366 0.00316904 0.00505711 0.01078570 0.03255498 0.00128650 0.03114076 0.00342910 -0.00623161 -0.00276580 +H 4.42896748 8.30570140 7.45900171 -0.00514991 0.01245523 -0.00862555 -0.16705792 0.08052934 -0.04718656 -0.02916047 0.01616698 0.00472454 +C 4.63369451 6.00624943 5.02954293 -0.00620218 0.00064994 0.00291069 -0.06424174 0.00207248 0.03158556 -0.00901672 -0.00036345 0.00564297 +N 6.31218806 7.51857588 6.06103998 -0.00151132 -0.00005774 -0.00450317 -0.00655858 0.00113733 -0.03005833 0.00004135 0.00199676 -0.00337514 +C 3.29359709 5.49897505 5.04984415 -0.00791250 -0.00257974 -0.00453708 -0.04767862 0.00209898 -0.02910433 -0.00394829 0.00286391 -0.00329710 +H 5.28774412 5.61723074 4.26086551 -0.02072133 -0.01532497 0.01976180 -0.00690501 -0.11106491 0.12123291 0.00846848 -0.00864267 0.01896156 +C 7.45955001 6.86649141 5.85443291 0.00037806 0.00468295 -0.00729561 0.00225714 0.01084743 -0.06667956 -0.00055877 -0.00075680 -0.01028301 +H 6.50762728 8.42292085 6.39683226 -0.01679771 0.00116828 0.00809245 -0.17778136 0.02067105 0.04790754 -0.02357828 -0.01351464 -0.00409453 +O 7.56863777 5.66818369 5.51793829 0.00241891 -0.00073652 0.00231095 0.01281443 0.00981930 0.01886345 0.00125379 0.00291545 0.00260446 +C 8.71431734 7.71152554 6.01805671 -0.00625740 -0.00510508 0.00100952 -0.03034313 -0.00945640 0.00837928 -0.00267067 0.00120998 0.00338602 +H 8.82110819 7.70797125 7.10186904 -0.01287552 0.01352851 -0.00185709 0.00627877 0.09460189 0.00278040 0.00628728 0.01091867 0.00116429 +H 9.59871119 7.26122980 5.49541669 0.00227966 -0.00824575 0.02252487 -0.03207029 -0.07803751 0.20361161 0.00523995 -0.01905676 0.02155519 +H 8.67739478 8.76140071 5.68192022 0.01133179 0.02879418 -0.00443117 -0.01395556 -0.08074740 0.00193679 -0.01284005 -0.02455811 -0.00852200 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01114494 5.50623948 5.81985309 0.00581140 0.00201885 0.00091195 0.02502165 0.01313121 -0.00373120 0.00051947 0.00022181 -0.00144668 +C 2.24369520 6.08758228 5.77350876 -0.00920842 0.00151848 -0.00281989 -0.00906449 0.01135886 -0.01514198 0.00809857 0.00104561 0.00021708 +H 1.01183225 4.67188555 6.18513803 0.00640159 -0.00967036 -0.01081670 0.05155630 -0.02638554 -0.05522151 0.00808494 0.02020142 -0.01239488 +C 2.67733772 7.04472938 4.78122430 0.00084473 -0.00043881 0.00131282 -0.02227455 -0.01607809 0.02666921 -0.00601835 -0.00215905 0.00374976 +H 3.08999325 4.79624345 7.36621110 0.02051843 0.01486628 0.00221955 -0.03077516 0.09991423 0.07225730 -0.02455052 0.02111952 0.00800139 +C 3.99121703 7.53131547 4.77483939 -0.00028542 -0.00443580 0.00377079 0.02092338 -0.02548841 0.01686475 0.00409303 -0.00343941 0.00036651 +H 1.97292647 7.38202538 4.06495571 -0.00298605 -0.00866355 0.00034416 -0.01625452 -0.02706542 -0.02856812 0.00770731 -0.00393928 0.00354056 +C 4.98641913 7.07898433 5.68711073 0.00075278 -0.00283370 0.00227954 0.01890001 -0.01415333 0.02057336 0.00499847 -0.00054269 0.00281655 +H 4.31139255 8.25433952 4.04506185 -0.00526414 -0.01193990 -0.01289790 -0.06892511 -0.10868114 -0.08691155 -0.00784156 -0.01606088 -0.00753653 +C 4.51037632 6.22811410 6.73933237 0.00091350 -0.00017591 -0.00129445 0.00487411 -0.00844748 -0.02815727 0.00225207 -0.00309866 -0.00335412 +N 6.38438975 7.46582390 5.53618761 0.00074805 0.00282170 0.00234289 0.00323439 0.00216378 0.04030737 -0.00281074 -0.00087706 0.00663590 +C 3.20671426 5.62160345 6.68866334 0.00159938 0.00266221 -0.00313387 0.03014727 0.03726613 -0.02078318 0.00410757 0.00655336 -0.00224332 +H 5.23357991 5.93285360 7.45078713 -0.01539921 0.00557622 0.00620966 -0.10800234 -0.04582664 0.12142411 -0.02090087 -0.00798075 0.00452221 +C 7.54041001 6.88342689 6.18700287 -0.00561722 0.00627084 -0.00379730 -0.06545941 0.01492565 -0.03076931 -0.00744967 -0.00403497 -0.00213183 +H 6.55053572 8.25581147 4.94548327 -0.02480312 -0.00820304 -0.02143024 -0.07723476 -0.09740619 -0.10193731 0.00853166 -0.02285891 0.00189723 +O 7.43170446 5.85977092 6.89920219 -0.00027881 -0.00437656 0.00186955 0.00257843 -0.00221609 -0.00342009 0.00023267 0.00451124 -0.00347883 +C 8.96117670 7.43424616 5.91177724 0.00340851 -0.00383484 -0.00014420 0.00254936 -0.00054434 0.00468971 -0.00461791 0.00152875 0.00096897 +H 9.81722285 6.78129466 6.09403864 0.01029604 -0.00449722 -0.01397446 -0.04260655 -0.08822867 -0.14747003 -0.02242813 -0.01515964 -0.02442903 +H 8.99043586 7.89723097 4.89206734 -0.00041394 0.03016650 0.02300711 0.03756947 0.13368926 0.13338840 0.00907370 0.01344043 -0.00575413 +H 9.14485892 8.24887708 6.65022017 0.00390753 0.00568047 -0.00376956 0.00287141 -0.02948812 -0.04310226 0.00433818 -0.00228246 0.01347695 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02758428 5.72030116 5.73861575 0.00459675 -0.00290070 -0.00201013 0.02443271 -0.03946341 -0.01604353 0.00001834 -0.00607477 -0.00279988 +C 2.30892532 6.13141759 5.81899000 -0.00259592 -0.00433197 -0.00976670 -0.00046903 -0.04990677 -0.06096251 0.00187497 -0.00480903 -0.00657342 +H 0.38297700 6.36868223 5.52263793 0.02677950 -0.00310122 0.03461978 0.08284015 0.09493285 0.21941712 0.02002809 -0.00545039 0.03052682 +C 2.49769098 7.47230569 5.97115057 0.00093269 0.00298759 -0.00150150 0.04905427 0.01665715 -0.00359654 0.00877827 0.00081331 0.00102011 +H 3.16837787 4.10718757 5.64944456 0.01203418 0.00509097 0.00493159 0.06203499 -0.02805161 0.04297077 -0.00426701 -0.01478053 0.00767061 +C 3.87612714 7.86165108 6.05818925 0.00111199 0.00740168 0.00441308 0.00496664 0.07055684 0.02191396 0.00265115 0.00933886 0.00091541 +H 1.69305375 8.15184533 5.99933755 0.00189767 -0.00698976 0.03529075 0.00693998 0.02649745 0.18207277 0.02309820 -0.00406773 0.00627454 +C 4.98133495 6.98123985 6.04423712 0.00116770 0.00529029 -0.00523151 0.00817366 0.01862659 -0.02229033 0.00009589 0.00210786 -0.00052821 +H 4.05017955 8.94321715 6.11143015 0.00956590 0.00551349 -0.01938176 0.06681697 0.03366996 -0.05426533 0.00704279 0.01879776 0.00899673 +C 4.66821781 5.59565383 5.96474510 0.00026342 0.00684676 0.00467963 0.03158993 0.03584058 0.01237249 0.00328302 0.00044390 -0.00173415 +N 6.32827298 7.41954484 6.17649619 -0.00259008 -0.00122330 0.00418992 -0.02115180 0.01089224 0.02793885 -0.00201524 0.00086987 0.00270271 +C 3.40901751 5.16977931 5.79082836 -0.00495201 -0.00478056 0.00444927 -0.07856021 -0.00911995 0.03060799 -0.00914201 0.00186703 0.00422187 +H 5.42429794 4.87399264 5.87005512 0.00622445 -0.02642530 -0.01547899 -0.02295178 -0.02995480 0.01558262 -0.01023095 0.02482430 0.02095385 +C 7.50354687 6.80895254 5.94705402 0.00244323 -0.00084525 0.00651594 0.01638642 0.00809930 0.02476251 -0.00066544 0.00064693 -0.00004828 +H 6.44068992 8.43560003 6.40275122 -0.01106519 0.01115356 -0.00686114 -0.08074851 -0.04021241 -0.04625231 -0.00527908 0.02169310 0.00390221 +O 7.62966095 5.68651975 5.52495117 -0.00054325 -0.00241701 -0.00420791 -0.00496249 -0.02391815 -0.02438843 -0.00083714 -0.00286847 -0.00207563 +C 8.79280613 7.68996654 5.98140670 -0.00279837 -0.00191153 0.00045288 -0.03764788 -0.02206638 -0.00039043 -0.00446734 -0.00136940 -0.00174662 +H 9.41571000 7.47994062 5.17080404 -0.01363139 -0.00718358 -0.01386733 -0.06098599 -0.06435138 -0.10066028 -0.02270798 -0.00208040 0.01256467 +H 8.59393656 8.72271507 5.96887116 0.00009704 -0.01345187 0.00113862 -0.07096744 0.05207022 -0.01622455 -0.01249579 -0.00704343 -0.00476242 +H 9.32125580 7.49932113 6.90999354 -0.00749470 0.00980979 -0.02771618 0.07943435 -0.00841926 -0.01794070 0.01711153 -0.00974413 0.00700285 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01301465 5.51890675 5.76024389 0.00167741 -0.00035615 -0.00005430 0.00058150 -0.00316248 -0.00475902 -0.00095227 0.00017894 0.00016702 +C 2.25659026 6.05124730 5.89835270 -0.00359633 0.00696880 0.00128703 0.00347511 0.03204538 0.05307923 0.00430225 0.00190167 0.00929678 +H 0.80908881 5.06297747 4.98070439 -0.02043805 -0.01807119 -0.00760343 -0.01795205 -0.00688236 0.01702948 0.01453809 0.00972043 0.00008141 +C 2.82754547 6.08189030 7.25198526 0.00365191 0.00299219 0.00140427 0.03240492 0.03098820 -0.01651712 0.00258894 0.00430694 -0.00525887 +H 2.87909848 6.34449583 3.77605166 0.00840046 0.02670554 -0.01845325 -0.11986984 0.07079212 0.02888469 -0.03780511 -0.00825515 0.02304347 +C 4.20912791 6.48860371 7.47378108 -0.00241733 0.00177761 -0.00142112 -0.02543526 0.01369761 -0.04498747 -0.00172009 0.00212783 -0.00842085 +H 2.30278122 5.84940248 8.17421468 0.00623130 -0.02238562 -0.00817999 -0.04155102 -0.13015530 -0.11979428 -0.00933238 -0.00807339 -0.02058059 +C 5.05380800 6.73321396 6.33480764 0.00321909 -0.00184712 -0.00127912 0.00927846 -0.00977007 -0.02282669 0.00046125 -0.00076304 -0.00336962 +H 4.56710206 6.66012896 8.46471626 -0.01345056 -0.01299343 -0.00819167 -0.02867532 -0.14766579 0.01639425 -0.00043799 -0.02541186 -0.00991481 +C 4.42928605 6.66738233 5.00623636 0.00429679 -0.00196779 -0.00210724 0.06172590 -0.01916347 0.01644112 0.00800292 -0.00368569 0.00389434 +N 6.43900238 7.04196821 6.52527172 0.00025428 -0.00189124 0.00337122 -0.00347191 -0.01065091 0.01729558 -0.00248809 -0.00141623 0.00239971 +C 3.09848690 6.35993605 4.82319115 -0.00139752 -0.00360818 0.00221181 -0.00293772 -0.01460908 -0.00720815 0.00205806 0.00026912 -0.00149510 +H 5.09306297 6.72917562 4.14753081 0.00312010 0.00767276 -0.01595056 -0.10740555 0.11115483 -0.05317253 -0.01451212 0.02201924 -0.00125517 +C 7.46767977 7.17733748 5.62278952 0.00094122 -0.00453334 0.00455101 -0.02494297 -0.03432007 0.02201761 -0.00641744 -0.00462618 0.00161490 +H 6.71870485 7.26999479 7.47194084 -0.02897675 0.00233464 -0.00120139 -0.13002768 -0.02571828 0.05906792 -0.00110460 -0.00945117 0.00954848 +O 7.29873274 7.11161614 4.42015508 0.00140068 -0.00100101 0.00551399 0.00591591 -0.00866707 0.02892029 -0.00027221 -0.00171670 0.00231446 +C 8.88931379 7.35380532 6.03979473 -0.00611630 0.00679372 -0.00735829 -0.02101107 0.02319615 -0.02800563 0.00162914 0.00159011 -0.00192359 +H 9.01148404 6.84551145 6.99294453 0.00426866 -0.02681328 -0.01478936 0.04124876 -0.05517173 -0.09920323 0.00959982 0.00981584 -0.00759749 +H 9.50405466 6.78748202 5.39777788 0.01770450 0.00379995 -0.02235419 0.04559056 0.15975208 -0.12609370 -0.01814324 0.04670598 -0.00183942 +H 9.20023903 8.36521444 6.11087339 -0.01234719 0.00921577 -0.00446745 -0.08418607 0.09674136 -0.01321524 -0.01873472 -0.00633735 0.00324844 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03763063 5.51507496 5.86738087 0.00655146 0.00041891 0.00160546 0.04082988 0.00971429 0.01171382 0.00329868 0.00361427 0.00009238 +C 2.27651333 6.05922132 6.00609982 0.00193015 -0.00475629 -0.00190426 0.04270904 -0.05188928 -0.00577023 0.00858040 -0.00805545 -0.00176648 +H 0.51912738 5.98556199 5.27465234 0.02936444 0.01416532 0.01395205 0.09727000 0.11959012 0.00001406 0.01799087 -0.00598796 0.01384882 +C 3.03742543 5.58463097 7.12375475 0.00437420 0.00776660 0.00144029 -0.00078472 0.05130875 -0.00008058 -0.00396078 0.00643210 -0.00170357 +H 2.51510734 7.13605061 4.06413948 -0.00380985 0.00752339 -0.01744661 -0.10654318 -0.06855307 -0.02433505 -0.03107127 -0.01988129 -0.00125572 +C 4.39460817 5.94157948 7.20435802 -0.00129404 -0.00200346 -0.00561363 0.00581253 -0.03632007 -0.04391780 0.00473100 -0.00879916 -0.00406146 +H 2.61299346 4.91134709 7.85483717 -0.03692120 -0.00777955 0.00514210 -0.10978810 0.13681275 -0.05580672 0.00440722 0.03416383 -0.00401394 +C 5.09048337 6.51131912 6.12090137 -0.00003956 -0.00100544 -0.00464250 -0.01545228 0.00880285 -0.01632712 -0.00287816 0.00270325 0.00179614 +H 4.94351821 5.51769295 7.98056814 0.00381520 -0.00756731 -0.02007601 0.05760785 -0.02935850 0.01094301 -0.00706267 0.01069009 -0.00237271 +C 4.35293695 6.97965639 5.01381799 -0.00646013 -0.00097253 0.00486411 -0.05182746 -0.01209101 0.02834447 -0.00836371 0.00035735 -0.00305281 +N 6.42290455 6.74060988 6.30979407 0.00151280 0.00163449 0.00525091 0.00733805 0.00259346 0.05238355 0.00022225 -0.00004461 0.00749030 +C 2.97857201 6.73245981 4.96612939 -0.01129200 0.00051745 -0.00449504 -0.08140415 0.01465506 -0.03418585 -0.00909295 0.00199534 -0.00234966 +H 4.84647736 7.49568854 4.27179543 -0.02993538 -0.01880123 -0.01050411 -0.12286609 -0.04957663 -0.15184051 -0.01715090 -0.01464283 0.01106140 +C 7.40318494 7.28045728 5.61695952 -0.00550524 0.00159221 0.00079996 -0.00823323 0.03305009 -0.00546186 0.00384551 0.00558316 0.00119969 +H 6.69856857 6.51209435 7.23035433 0.00375469 -0.00324937 0.02266185 0.03248868 -0.03975577 0.03337623 0.00468826 -0.00781113 -0.01180472 +O 7.29882077 7.86240802 4.52289800 0.00211352 0.00044664 0.00028072 0.00841514 -0.00414779 0.00570803 -0.00008317 -0.00107148 0.00039119 +C 8.74958846 7.24163553 6.31477230 0.00746539 -0.00026344 -0.00117049 0.03313852 -0.01919137 0.00259576 0.00185950 -0.00624643 0.00145584 +H 8.51338369 7.27298080 7.36954511 0.01345496 -0.00534515 0.01184220 0.17943444 -0.01341387 0.02869236 0.03007393 0.00544979 -0.00670480 +H 9.18559728 6.31364848 6.05156269 0.00388464 -0.01951798 0.01893031 0.06393918 -0.07899415 0.12266985 0.00652976 0.01648100 0.01159557 +H 9.49047063 8.03892935 6.09428914 -0.01321812 -0.00630594 0.00034934 -0.06904356 0.03797490 -0.07681704 0.00037460 0.01364879 -0.02104102 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95316856 5.77689035 5.79937752 -0.00091643 0.00121903 0.00403305 0.00562660 -0.00052804 0.03656679 0.00338177 -0.00067689 0.00578584 +C 2.26818600 6.02858339 5.99148175 0.00877874 0.00092689 -0.00018216 0.04260869 0.03873677 -0.00502083 -0.00010664 0.00624039 -0.00189483 +H 0.61580202 6.28152541 5.04781236 0.00778644 -0.01060291 0.01730193 -0.02936136 -0.01228287 0.02965373 -0.01179860 0.00060062 0.00093724 +C 2.66542487 7.37154784 6.36478170 -0.00773575 -0.00499018 -0.00019479 -0.03906021 -0.03514824 -0.00947106 -0.00348006 -0.00206282 -0.00220517 +H 3.03474257 4.19348484 5.06590638 0.01125799 0.00549664 -0.02142764 0.01647624 0.09607614 -0.04719352 -0.01228949 0.00051517 0.00051577 +C 4.03794690 7.81512980 6.30859264 -0.01102174 0.00276544 0.00019627 -0.09499194 0.00844914 0.00362999 -0.00882001 -0.00221260 -0.00054692 +H 1.87240179 8.08806594 6.62075679 -0.00502636 -0.01253422 -0.03675320 -0.06315824 -0.04330137 -0.14769356 -0.01652687 0.00223898 0.00032899 +C 4.98709755 6.95912269 5.85141430 0.00981428 -0.00118744 -0.00052350 0.05752286 -0.02968851 -0.00937306 0.00151323 -0.00193582 0.00039760 +H 4.24019915 8.81801425 6.60558220 0.00341458 0.00117814 0.00244370 0.00004657 0.01730535 -0.00610571 -0.01564287 -0.00699204 -0.00715992 +C 4.59475736 5.61554887 5.44582417 0.00170039 0.00476623 -0.00194824 0.04796474 0.03594658 -0.01718762 0.00740650 0.00345719 -0.00297805 +N 6.30569394 7.44469808 5.70915035 0.00028977 0.00081395 0.00051063 0.02222724 -0.00081545 0.01163040 0.00575968 -0.00167222 0.00210597 +C 3.26193399 5.18230917 5.49515333 -0.00131487 0.00604440 0.00140893 0.01563761 0.02551757 -0.00228117 0.00825192 0.00405088 -0.00148772 +H 5.41898099 4.99626809 5.07718002 0.01222721 -0.02569159 -0.02835465 -0.15789031 -0.03686440 -0.09581449 -0.02462460 0.00286996 -0.00775861 +C 7.53166711 6.84935518 5.92117922 0.00073273 -0.00252039 -0.00531859 -0.02425520 -0.01996949 -0.02773301 -0.00504118 -0.00341572 -0.00169160 +H 6.36432630 8.46037102 5.65824857 0.01541830 -0.00056783 -0.00693208 0.07314751 -0.02710391 -0.07105013 0.00230474 0.00270409 -0.01198872 +O 7.69612613 5.65536046 6.22886636 -0.00021326 -0.00447487 0.00477331 -0.00564311 -0.01574607 0.02456779 -0.00168521 0.00032032 0.00193210 +C 8.71088908 7.80419323 5.88335324 -0.00274712 0.00162640 -0.00281115 -0.00778295 0.00527685 -0.00285008 0.00057402 -0.00147933 -0.00031723 +H 9.52560214 7.23704494 5.51895513 -0.00286737 -0.00945150 0.00896658 0.03830939 -0.03988848 0.01377936 -0.00470601 0.01414403 0.00082987 +H 8.61897428 8.64464973 5.23670982 -0.00573558 0.01609496 -0.00416113 -0.06756887 0.05865279 0.01653693 -0.00772788 -0.01235469 0.01898714 +H 8.99750307 8.12495406 6.88233161 -0.00120306 -0.01210480 0.03373435 -0.09053002 -0.08995065 0.01345750 -0.01950050 -0.00631289 -0.01867280 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96712807 5.81556934 5.90506463 -0.00495104 -0.00331190 0.00379983 -0.04021640 -0.02856917 0.01741825 -0.00452909 -0.00409909 0.00219210 +C 2.28056155 6.07817465 5.97941571 0.00148314 0.00175588 0.00047409 0.00781949 -0.00331736 -0.00724704 -0.00198764 -0.00295134 -0.00166488 +H 0.65397549 5.50874835 5.08470898 -0.00622058 -0.01429464 -0.01590191 0.02202530 -0.04901527 0.02395578 0.00432278 -0.00651550 0.00663204 +C 2.79827916 6.62437712 7.12813282 0.00624768 -0.00445976 -0.00065407 0.02991082 -0.00915781 -0.00226810 0.00186931 0.00190112 0.00019255 +H 2.80655327 5.14040703 4.17389379 -0.00440295 0.01900989 0.01105818 -0.06202910 0.04010732 -0.14880981 -0.00160202 0.01095304 -0.01777855 +C 4.12894709 7.06215362 7.19613984 0.00312449 0.00776781 -0.00890278 0.00520402 0.05678922 -0.02730839 -0.00262613 0.00741082 0.00114900 +H 2.04758878 6.83325316 7.88178990 -0.00109594 -0.02085204 -0.02018374 0.04771419 -0.07928247 0.04076976 0.01674554 -0.00105117 0.02821451 +C 5.01837865 6.77149654 6.12360063 -0.00275228 0.00515379 0.00827850 -0.02165320 0.02900675 0.05008723 -0.00165996 0.00118887 0.00058505 +H 4.32639968 7.59975706 8.13418953 0.00605857 0.00512132 0.00815787 0.16231961 -0.01453785 -0.09597887 0.03608007 0.00449800 -0.01158125 +C 4.48481212 6.07855179 5.07276626 -0.00276130 -0.00056221 -0.00288768 0.01988700 -0.00875263 -0.03226025 0.00734242 -0.00095473 -0.00347363 +N 6.35123397 7.04484274 6.31139753 -0.00236894 0.00190538 -0.00181792 -0.00110049 0.02440197 0.02327605 0.00185208 0.00451520 0.00672915 +C 3.16903090 5.73276364 4.95912391 -0.00333519 -0.00141522 -0.00438414 -0.04220877 -0.00644128 -0.02229200 -0.00652950 -0.00157345 -0.00587171 +H 5.15998424 5.71762843 4.31698929 0.01769970 0.00277340 0.02700377 0.12401411 0.00718276 0.03767052 0.00678281 0.00049344 -0.01554884 +C 7.47690779 7.05634124 5.61611607 0.00365068 0.00178906 0.00905393 0.03004485 -0.00721844 -0.00027312 0.00329491 -0.00346248 -0.00789461 +H 6.60795440 7.26468392 7.26397247 0.00523936 -0.00583960 0.01291401 -0.07051527 -0.00105032 0.01208603 -0.01505830 0.01106171 0.00923313 +O 7.64580934 6.67631421 4.44618293 0.00212703 -0.00102640 -0.00366557 0.00090677 -0.00189288 -0.00609819 -0.00167380 0.00045157 0.00193128 +C 8.69243054 7.57517995 6.32043756 0.00470787 -0.00439986 -0.00165827 0.02633936 -0.00639175 0.01440043 0.00222156 -0.00251529 0.00775642 +H 8.45388067 8.34281492 7.04165784 -0.02160866 -0.01096697 0.02503436 -0.10318884 -0.10728898 0.04735057 -0.00099907 -0.01384854 -0.00786785 +H 9.17894377 6.86236279 6.89365098 -0.01971680 -0.00331872 -0.01165723 -0.00756329 -0.21015440 -0.02611290 0.00258878 -0.01168654 -0.02263553 +H 9.47772004 8.02166001 5.64995933 -0.02171898 0.00366915 -0.00518740 -0.13302011 0.02800157 -0.07040033 0.00091796 0.01264366 -0.01773717 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.09666481 5.69777153 5.68666087 -0.00461813 0.00249181 0.00078014 -0.04296287 0.02653165 0.00897775 -0.00627874 0.00262145 0.00048833 +C 2.33219132 6.16584908 5.85144378 -0.00311351 0.00335168 0.00262520 0.00412658 0.01150278 0.00792570 0.00179475 -0.00114414 -0.00043197 +H 1.09532550 4.85398649 5.32190943 0.00628239 0.02356936 -0.00582108 -0.00014583 0.02696853 -0.08950073 -0.01030236 0.02599562 0.00113964 +C 2.63353876 7.48164960 6.22224346 -0.00897639 0.00056338 0.00136864 -0.04233523 -0.00581231 0.02633063 -0.00363514 0.00063288 0.00709687 +H 3.29701499 4.23490765 5.48935814 -0.01882517 -0.00696480 0.00297275 -0.17864970 0.02545949 -0.08132335 -0.02297946 0.01228724 -0.02311307 +C 3.96970898 7.83857435 6.46093270 -0.00171329 -0.00658867 -0.00313168 -0.01540238 -0.05289152 -0.03542621 -0.00085748 -0.00440076 -0.00553087 +H 1.83943355 8.12978279 6.49089756 0.03016622 -0.00878362 0.01266067 -0.01969473 0.11915085 0.07591428 -0.01161473 0.01263273 -0.00317073 +C 4.99767591 6.92610820 6.13647769 0.00428824 -0.00084390 -0.00324039 0.02531811 0.00201779 -0.00599222 0.00197367 -0.00153914 0.00064237 +H 4.14556363 8.80703060 6.84926378 0.02196659 -0.03209154 -0.01789295 0.16439966 -0.01223934 -0.07305281 0.00521751 -0.00186244 -0.01263801 +C 4.69252531 5.60998421 5.82567189 0.00500290 -0.00535714 0.00090514 0.05769509 -0.02456388 -0.01629283 0.00698986 0.00049350 -0.00452876 +N 6.28266465 7.40307439 6.26821149 0.00061498 -0.00067730 0.00079957 0.00947627 -0.01490380 0.00584141 0.00353972 0.00024549 0.00218743 +C 3.40998765 5.28657943 5.64306657 0.00532446 0.00247109 -0.00127647 -0.01380989 -0.02089663 -0.00111622 -0.00762950 -0.00744804 0.00078280 +H 5.42060310 4.82707611 5.50711282 0.00816555 0.00203506 -0.01428903 0.04761987 0.02949561 0.04870447 0.02352245 -0.01714608 0.01798458 +C 7.39103078 6.80489312 5.82982556 -0.00103096 0.00831658 -0.00247002 0.03974725 0.04933742 -0.04287218 0.00975736 0.00359234 -0.00934228 +H 6.40612393 8.24683151 6.71976989 -0.00406728 -0.00690818 0.00153443 -0.01797344 0.04036189 0.04330310 -0.00434858 -0.01921262 -0.00917655 +O 7.48347160 5.79088943 5.10688211 -0.00171651 -0.00717431 0.00095316 -0.01192132 -0.02798551 0.02487924 -0.00083760 0.00032321 0.00622036 +C 8.69716677 7.65531856 6.04785442 0.00167040 0.00608888 0.00569936 0.00374365 0.03228389 0.01725948 0.00134985 0.00563661 -0.00119482 +H 8.89870066 7.98251042 7.04839008 0.00159037 0.00191463 -0.01056971 -0.04255857 0.04128395 0.08469031 -0.01570850 0.00137388 0.00972755 +H 9.61542083 7.24657625 5.68501279 0.01009046 0.01932533 -0.00473237 0.00699905 -0.02119793 -0.00083837 -0.01810504 -0.01857391 0.01242940 +H 8.59669791 8.49351581 5.42270989 0.01932843 -0.00371181 -0.00820148 0.07542729 0.08840272 -0.02847417 0.00198266 0.00412560 0.01896567 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.91280630 5.72605641 5.89015034 -0.00396855 0.00007689 -0.00444680 -0.00292150 -0.00954520 -0.03929829 0.00229242 -0.00097964 -0.00601156 +C 2.27182129 6.10624201 5.83307943 -0.00364762 -0.00542553 0.00380888 -0.03646627 -0.01995222 0.04082538 -0.00313097 0.00064471 0.00711595 +H 0.80466314 4.81989598 5.64783570 0.00465885 -0.02604066 0.00052425 0.00771960 0.00281680 0.05088010 -0.00549945 -0.00621403 0.00637847 +C 2.63444375 7.39739690 6.25709376 -0.00176096 0.00597421 0.00311108 -0.02456351 0.02895437 0.02070230 -0.00744900 0.00136832 0.00309674 +H 3.05534289 4.25344100 5.09594864 -0.01393747 -0.00497501 0.00008550 -0.01417177 -0.02588754 0.02480104 0.01226316 -0.00232307 0.00348935 +C 3.95822455 7.82035520 6.37431671 -0.00130665 -0.00375407 -0.00257731 -0.01216733 -0.00902530 -0.02091827 -0.00041450 0.00050279 -0.00352488 +H 1.93820844 8.15585643 6.50731720 0.01119728 0.00276419 0.01166525 -0.08611185 0.00837938 0.09672485 -0.01627347 -0.01321144 0.00753104 +C 4.97554568 6.95166395 6.01452031 0.00104705 0.00663930 -0.00174963 0.03772668 0.02208457 -0.00919365 0.00891778 -0.00070268 -0.00067977 +H 4.09861473 8.86411650 6.68046542 0.01551123 -0.00467752 -0.00893246 0.13456624 -0.06778989 -0.02982085 0.01575006 0.00051457 0.00525976 +C 4.64111972 5.64702678 5.56673257 0.00098816 0.00102692 0.00096555 0.02381541 0.00556949 -0.00957919 0.00320557 0.00143691 -0.00388701 +N 6.28989382 7.44294910 6.10567252 0.01018260 0.00235693 0.00851050 0.05481531 0.03002786 0.04442202 0.00497309 0.00377315 0.00358878 +C 3.29983053 5.22649426 5.48344675 0.00435356 -0.00246172 -0.00144082 0.01160772 -0.01890294 -0.01052786 -0.00221886 -0.00126203 -0.00026975 +H 5.45609418 5.00346171 5.23263062 -0.00228640 -0.01208551 -0.04511007 -0.14730281 -0.01669079 -0.17173332 -0.01366166 -0.00006656 -0.00433132 +C 7.50904133 6.88747529 5.88846370 -0.00405992 -0.00529025 0.00688177 0.00801248 -0.03619312 0.04135548 0.00676471 -0.00309206 0.00492234 +H 6.26295496 8.47259696 6.16706224 0.01507223 0.00546324 -0.02973523 0.19105637 -0.00968949 -0.09860055 0.03272738 0.01448842 0.00433841 +O 7.64341994 5.69232989 5.59498419 -0.00662282 -0.00181007 -0.00005058 -0.04681032 -0.01058219 0.00358183 -0.00655683 -0.00200178 0.00100818 +C 8.85110093 7.72890786 5.96290718 0.00145002 0.00302068 -0.00781894 -0.00171157 0.01547731 -0.01153899 -0.00228641 0.00243001 -0.00197728 +H 9.20534044 7.98167840 6.98256670 0.02244710 0.02818918 0.02320985 -0.05894595 0.04019125 -0.08736254 -0.02301518 -0.00564868 -0.01490402 +H 9.70083949 7.20164629 5.57675432 0.00335261 0.03035242 -0.01148071 0.02405777 0.07361247 -0.15106467 -0.01371580 -0.00147789 -0.01580921 +H 8.84420784 8.67389972 5.50589187 0.00558331 -0.02101004 -0.00117190 -0.09774670 0.04010169 -0.17424841 -0.03036993 -0.00697100 -0.01955951 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95062548 5.87123624 5.90291457 0.00627329 -0.00628568 0.00250798 0.04860731 -0.04869714 0.01370140 0.00639631 -0.00757351 0.00172479 +C 2.35051174 5.84622332 5.94432259 0.00335556 0.00499728 -0.00162749 -0.01088185 0.07477358 -0.01419571 -0.00432885 0.01366095 0.00152058 +H 0.54081629 6.27011032 5.17368171 -0.01911873 -0.00475511 -0.00588284 -0.00056035 -0.08670908 0.04089658 0.01286342 -0.01456866 0.00729282 +C 2.98094939 5.63791907 7.14018774 -0.00648866 0.00092465 0.01116896 -0.00375095 -0.00425096 0.04949531 0.00290039 -0.00074730 0.00140317 +H 2.44323663 6.94730209 4.12017169 0.00432183 0.01274089 0.00980620 0.03176781 0.03639341 -0.08237968 0.00858179 -0.01049042 -0.02060428 +C 4.38808285 5.78182349 7.17140589 -0.00202247 -0.00150489 -0.00172424 -0.01871697 0.00635013 -0.01784716 -0.00234015 0.00076872 0.00126183 +H 2.47397952 5.18983266 7.97838311 0.01682166 0.03000295 0.00533143 -0.02861226 0.13523796 0.16309902 -0.01174014 0.01115054 0.01620944 +C 5.13479356 6.44098710 6.12731597 -0.00503265 -0.00045545 -0.00086733 -0.03398354 -0.01110747 0.00136272 -0.00384981 -0.00225756 0.00051738 +H 4.92004235 5.48483557 8.02712248 -0.02790394 -0.01035071 -0.01757368 -0.07415755 -0.09941034 0.06587688 -0.00448016 -0.00042052 0.00065005 +C 4.41932790 6.82033410 4.94448171 -0.00015019 0.00510293 0.00298218 -0.00445290 0.02071182 0.01454174 -0.00326707 0.00013226 0.00288337 +N 6.50488120 6.67446288 6.39262923 -0.00298295 -0.00429329 -0.00349733 -0.03964934 -0.02589128 -0.02656560 -0.00701646 -0.00145308 -0.00691749 +C 3.04603947 6.55364847 4.91248438 -0.00182360 -0.00211405 -0.00641876 -0.01837294 -0.01713649 -0.03627722 -0.00214564 -0.00068992 -0.00568532 +H 4.84878714 7.17784794 3.99331565 -0.00290580 0.01554483 -0.01486864 0.00915447 0.15973197 0.15035966 0.01396230 0.03462025 0.03260216 +C 7.37879449 7.37509224 5.68172685 0.00015309 -0.00215048 -0.00553136 0.01909866 -0.02834402 -0.04317488 0.00423743 -0.00675243 -0.00431450 +H 6.80423925 6.35067731 7.33960830 -0.00437177 0.00604049 0.00135027 0.00489919 0.03376562 -0.07694865 0.01109625 -0.00833403 0.00719619 +O 7.14258812 7.88004150 4.56644900 0.00320768 0.00432018 -0.00286469 0.02647065 0.02798132 -0.00895265 0.00440106 0.00363635 -0.00007692 +C 8.80277463 7.39979499 6.26869076 0.00643359 -0.00396020 0.00668765 0.01738565 0.00402422 0.04670225 -0.00039840 0.00305018 0.00392953 +H 9.11229603 6.46178692 6.66955009 0.01341810 -0.00398682 0.01375313 0.08506295 -0.00453866 0.09589862 0.00196324 0.02038872 0.00417466 +H 9.51307860 7.75904474 5.56229736 -0.01432138 0.00454707 -0.00224830 -0.01953452 -0.01986332 -0.07503444 -0.00316757 -0.01634335 0.00287278 +H 8.78965141 8.19085117 7.01906094 -0.00853810 0.03106512 0.00895057 -0.00912948 -0.00247741 0.00477623 0.00657373 -0.01869464 0.00151053 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96014940 5.81127041 5.78982327 -0.00131560 0.00083444 -0.00031787 -0.01364984 -0.00004554 0.01180787 -0.00190298 0.00051634 0.00161829 +C 2.27016929 5.98364642 5.96027520 -0.00004188 -0.00513112 0.00146843 0.04349094 -0.04733366 0.00996398 0.00970581 -0.00726680 0.00046588 +H 0.70041117 6.28973681 5.03439161 0.01362792 -0.00642636 0.01647784 -0.02072728 0.01211429 -0.03015918 -0.00721275 -0.01243709 0.01117952 +C 2.98184874 5.64682879 7.16374292 0.00944110 0.00627165 0.00358141 0.01124710 0.05242543 0.01089071 -0.00890171 0.00698021 0.00097015 +H 2.68238783 6.61509410 3.86279428 0.00691335 0.00427807 -0.01631748 -0.04493704 -0.10358208 0.03360870 -0.01892172 -0.02710738 0.02278902 +C 4.35680820 5.97839380 7.27329391 -0.01476187 -0.00005442 0.00180296 -0.05557266 -0.00049606 0.03596591 0.00117053 0.00071321 0.00515820 +H 2.47981290 5.29464764 8.02787357 -0.00586403 0.00466703 0.00638761 -0.02616378 0.03240166 -0.00407755 0.00323054 0.00811227 -0.01278205 +C 5.11938848 6.50552536 6.20849737 0.00014851 -0.00577584 0.00150575 -0.02523493 -0.04248044 0.00988287 -0.00676784 -0.00551485 0.00007592 +H 4.79678891 5.83857233 8.26395874 -0.00160031 -0.02542685 0.02168077 -0.06950881 -0.12389839 -0.05370029 -0.00605728 -0.01081834 -0.00699571 +C 4.40880771 6.62390149 4.98040724 0.00276426 0.00333055 -0.00881159 0.04590577 0.01399743 -0.04668012 0.00786026 -0.00017033 -0.00030580 +N 6.47946757 6.77103164 6.46982524 -0.00223491 -0.00505762 -0.00295809 -0.01571276 -0.03091948 -0.02995744 -0.00356077 -0.00378399 -0.00713170 +C 3.04735298 6.34029427 4.83014417 0.00224988 -0.00005817 0.00564280 0.01566110 0.02361634 0.02723535 0.00328007 0.00603439 0.00105195 +H 4.94525238 6.87100966 4.02606211 0.00709774 0.00096059 0.00411999 0.07025481 0.09136115 0.04947133 0.02227772 0.02771206 -0.01397876 +C 7.39287044 7.38738932 5.68640200 -0.00264485 -0.00485295 -0.00820650 -0.00735590 -0.04833384 -0.04502648 0.00089301 -0.00781773 -0.00475616 +H 6.85687809 6.53533468 7.40153089 -0.00699287 0.00955925 0.01019663 -0.09042612 0.00268137 -0.04108753 -0.00461992 -0.01397445 0.00259626 +O 7.17020106 8.09064028 4.72685900 0.00766716 0.00635220 0.00205034 0.03599216 0.04660094 0.00139911 0.00237200 0.00638679 -0.00136850 +C 8.85082091 7.15802911 6.01651113 -0.00060738 0.00059538 -0.00223793 -0.01552843 0.01829819 0.00618769 -0.00321489 0.00451634 0.00581112 +H 9.27020314 6.22372212 5.64790534 0.01121090 0.01398753 0.01194120 0.06735101 0.02054112 0.03320389 0.00327531 0.00038743 0.00200104 +H 9.39131872 7.99387765 5.58979984 -0.01672099 0.01059524 0.00786045 -0.01436262 0.06734747 0.05181077 0.00753761 0.00095973 0.01019087 +H 8.96025259 7.19962227 7.05572020 -0.03629266 0.01163930 0.01387304 -0.15805182 0.05288113 0.06726198 -0.00543804 0.00027462 -0.02080481 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99037879 5.77849902 5.84821740 -0.00223758 0.00254114 0.00531897 -0.01118823 0.01569252 0.02088855 -0.00115686 0.00202623 -0.00055434 +C 2.34752834 5.99788576 5.72564357 0.00007874 -0.00762831 -0.00227513 -0.01302534 -0.04954254 0.00435313 -0.00307671 -0.00572820 0.00258522 +H 0.67047492 5.48082386 6.72642635 -0.03077791 0.02392986 -0.00645065 -0.14101208 0.19717565 -0.01091860 -0.01059163 0.02747223 0.02008619 +C 3.00792727 6.03659948 4.47644160 -0.00261380 0.00378485 -0.00255501 -0.03125550 0.04502923 -0.01096177 -0.00508527 0.00681450 0.00034948 +H 2.52031885 6.20935343 7.90955037 0.00470390 0.02589292 -0.00351063 0.07173566 0.17690982 -0.08543834 0.00002426 0.01959910 0.00197887 +C 4.36394970 6.39773556 4.44444323 0.00176544 -0.00032088 -0.00454114 -0.00333856 -0.00766335 -0.05922103 -0.00214256 -0.00082914 -0.00814876 +H 2.38919599 6.16165923 3.55918733 -0.01204709 -0.01674092 0.00421237 -0.00631639 -0.27978954 0.02890206 -0.00029238 -0.05001945 -0.01119081 +C 5.05908957 6.68173573 5.57994165 -0.00299325 -0.00316641 0.00035041 0.00884911 -0.02223228 0.01606948 0.00349385 -0.00437983 0.00168303 +H 4.83896740 6.46594081 3.46702315 0.01943010 0.00854679 -0.00425197 0.06430846 0.06453848 0.01079325 -0.00022548 0.00509104 -0.00711714 +C 4.43068404 6.56551270 6.84674818 0.00373949 -0.00106414 -0.00435064 0.01309763 -0.00002949 -0.01519783 -0.00310910 0.00062837 -0.00281002 +N 6.39803234 7.07103471 5.38762273 -0.00269340 -0.00691517 0.00890945 -0.02286717 -0.05490990 0.06835250 -0.00177466 -0.00686324 0.00819955 +C 3.04763834 6.27314435 6.92664664 -0.00010756 -0.00264122 -0.00651373 0.01665608 -0.02352505 -0.04573287 0.00640021 -0.00320513 -0.00711603 +H 5.02629331 6.73418410 7.79339966 0.00059565 0.04116630 0.00023787 -0.12443107 0.23026093 -0.11235967 -0.00866716 0.02916227 0.00569395 +C 7.39739059 7.07735762 6.28989643 0.00359950 0.00480269 0.00031270 0.02497488 0.04694871 -0.00536915 0.00225405 0.00731309 0.00181881 +H 6.64357721 7.29980777 4.45035503 -0.01044096 0.01738378 0.01702400 -0.04321523 0.08997416 0.08995634 -0.00695096 0.00081861 0.01984589 +O 7.31374226 6.97980362 7.48575972 0.00427355 -0.00143233 0.00352634 0.02851601 -0.01840741 0.03147927 0.00425148 -0.00341082 0.00387677 +C 8.71164680 7.53602981 5.70592898 -0.00139563 0.00603214 -0.00263022 0.00977754 0.05243012 -0.02095213 0.00345313 0.00621547 -0.00426279 +H 8.52091717 8.63170055 5.58146684 -0.00275043 0.00357527 0.00439458 0.09276228 0.02486840 0.04244732 0.02779861 0.02353332 0.00468904 +H 9.59203152 7.43098223 6.32880902 0.02693532 -0.02402238 -0.00604158 -0.01425714 -0.14159156 -0.07538067 -0.02411399 -0.01373126 -0.01379191 +H 8.98127140 7.20710968 4.71311784 -0.01523763 0.00116005 -0.00525039 -0.16350627 -0.04972822 -0.03640874 -0.02750585 -0.00595288 0.00260409 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04544860 5.71112471 5.79769415 -0.00430128 0.00535501 -0.00664845 -0.04344693 0.04033165 -0.05174683 -0.00685887 0.00523850 -0.00613655 +C 2.34348295 5.93981317 5.92166635 -0.00385830 -0.00615648 0.00545478 -0.00867159 -0.02674054 0.02117760 0.00095090 -0.00150087 0.00069093 +H 0.78611553 6.14747258 4.96251991 0.00663550 0.01248407 -0.00657663 -0.03383104 0.03699686 -0.02598738 -0.02146658 0.01163867 -0.02528717 +C 2.92669343 5.82614910 7.18481425 -0.00052740 -0.00710481 0.00383821 0.00190421 -0.04975953 0.02790293 0.00004329 -0.00725548 0.00288110 +H 2.79943825 6.67190359 3.77863870 0.02856603 0.01607079 -0.01412546 0.00893928 -0.03829324 0.12172357 -0.03336379 -0.01936869 0.01941820 +C 4.32579722 5.96059826 7.30904048 0.00190646 -0.00186975 -0.00403100 0.00667003 0.00461854 -0.01400041 0.00242255 0.00340211 0.00283716 +H 2.35190786 5.72168480 8.08554061 -0.01959432 -0.00352082 0.00428588 -0.08221112 -0.14155878 -0.04511818 0.00342357 -0.03312397 -0.01282662 +C 5.08833320 6.45730442 6.23951349 0.00740784 0.00244792 -0.00374609 0.04257029 0.01319586 -0.02228314 0.00036228 0.00026695 -0.00120531 +H 4.69444796 5.84590758 8.26509499 -0.00084890 0.01915704 0.00675580 0.07875421 0.08314067 0.03545741 0.00686956 0.00362733 -0.02797328 +C 4.45467698 6.70179405 5.00722312 -0.00143437 0.00016692 0.00278311 0.00673028 -0.00593144 0.02030965 0.00504117 -0.00083766 0.00024517 +N 6.48447485 6.65969257 6.40472648 -0.00451779 0.00564325 -0.00054876 -0.04678801 0.02878243 0.00206117 -0.00296161 0.00292854 0.00215185 +C 3.09911531 6.42808493 4.81177223 0.00286932 -0.00421851 0.00900049 0.02048840 -0.02559607 0.05514995 0.00288036 -0.00363596 0.00858957 +H 5.05349461 7.01371174 4.20377845 0.00089801 -0.00686503 0.00755769 -0.02552113 0.02329035 -0.05706655 -0.02042384 0.00538225 -0.00120403 +C 7.33022920 7.31163032 5.63694223 -0.00000483 0.00287869 0.00151537 0.04975236 0.02997423 0.01645343 0.00899130 0.00557126 0.00348990 +H 6.79648833 6.28579673 7.25711295 -0.01687003 0.00305071 -0.00200773 0.01329375 -0.02225276 -0.00101710 0.00602882 0.00070259 -0.01845454 +O 7.08498507 8.18602251 4.83072524 0.00182007 -0.00251441 -0.00171828 0.00024360 -0.01662306 -0.02352291 -0.00106170 -0.00222703 -0.00484526 +C 8.85460598 7.11510444 5.94642959 0.00154201 0.00118915 -0.00401706 -0.01250184 0.01701092 -0.00682966 -0.00250270 0.00039793 0.00090888 +H 9.21276550 6.11307966 6.03041045 -0.02467216 -0.00702014 0.00667301 -0.18526162 -0.06906857 0.01933653 -0.02693932 0.00784951 -0.00850062 +H 9.50541474 7.65087261 5.25586723 0.01017967 0.00091362 0.00545342 0.03382146 -0.01418411 0.00197390 -0.00405162 -0.01051256 -0.00636233 +H 8.87388708 7.64607445 6.93960353 0.02372369 -0.00683972 0.00374323 0.25360779 -0.11923784 -0.04957265 0.04005611 -0.01188976 0.00589785 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00207116 5.76489426 5.75064056 -0.00140790 -0.00476310 0.00240424 -0.02969587 -0.04023419 0.01494742 -0.00500448 -0.00430299 0.00247262 +C 2.28499053 6.12826275 5.83489099 -0.00246121 -0.00017180 0.00303968 0.00903587 -0.03469367 0.01697400 0.00314882 -0.00494040 0.00269812 +H 0.72140723 4.85759204 5.54332044 -0.00838074 -0.01536462 -0.00226126 0.08859884 -0.02716426 0.00405702 0.01934152 -0.02986950 -0.00545873 +C 2.56001164 7.42289957 6.10771746 -0.00151771 0.00576247 0.00376120 0.01387533 0.06569937 0.04044613 0.00313471 0.00826150 0.00617349 +H 3.15273130 4.10524165 5.52055943 0.00194949 -0.02438021 -0.00837592 0.04331229 0.05792302 -0.01754432 -0.00114142 0.00252456 -0.00562262 +C 3.89480363 7.89728383 6.30188376 0.00605056 0.00582447 -0.00755662 0.03280206 0.02784784 -0.05090916 0.00206553 0.00702330 -0.00546156 +H 1.79642710 8.13117724 6.31933919 -0.01497520 -0.00703612 0.00236170 -0.12001805 -0.02365432 -0.03500059 0.00150814 -0.00188469 -0.01090128 +C 5.00713840 6.97231226 6.13745761 -0.00188992 0.00759273 0.00329120 -0.00872932 0.03532729 0.00216496 0.00162527 -0.00166633 -0.00362419 +H 3.99548613 8.88077224 6.58696543 -0.00865344 0.01841882 -0.00957897 0.05361235 0.11031069 -0.10350661 0.02099495 -0.02236399 -0.02757829 +C 4.67327592 5.65510243 5.83349677 -0.00327969 -0.00706854 -0.00662666 0.00244825 -0.05699209 -0.03256739 0.00234608 -0.00258459 -0.00182580 +N 6.36249382 7.35294814 6.17897527 0.00633218 0.00666797 0.00444523 0.02619001 0.05604880 0.03733533 0.00010771 0.00878839 0.00579251 +C 3.35829450 5.17828339 5.72116825 0.00110574 -0.00169300 -0.00462620 -0.02144670 -0.00962583 -0.03792230 -0.00448003 0.00063672 -0.00538425 +H 5.42833042 4.86066797 5.78776048 0.02618262 -0.01183356 -0.01041882 0.03417184 0.06833801 -0.11001339 -0.00073621 0.00497383 -0.02050507 +C 7.52411486 6.80260814 5.82403853 0.00189117 -0.00922678 0.00447048 -0.00104276 -0.02490959 0.03514421 -0.00232054 0.00323447 0.00534754 +H 6.54379166 8.29988152 6.43261290 0.01933811 0.00383925 -0.01187521 0.05154230 0.08286777 -0.00154858 -0.00693481 0.00707470 0.00909581 +O 7.60412187 5.75194105 5.22714773 -0.00067910 0.00176317 0.00000757 0.00422837 -0.00559931 -0.00459339 0.00167290 -0.00332301 -0.00117530 +C 8.73336755 7.71767370 6.09123441 -0.00566973 0.00068484 -0.00405563 -0.02649551 -0.01264586 0.00904524 -0.00037932 -0.00676128 0.00284130 +H 8.84826589 8.04288033 7.14736737 0.00036021 -0.01312575 0.03827215 -0.11003527 -0.15360759 -0.03243768 -0.02072808 -0.01719385 -0.01336981 +H 9.63398406 7.17480115 5.97939334 -0.00154734 -0.00503866 -0.00903818 -0.00737436 -0.01335249 -0.16163839 -0.01837157 0.01130953 -0.02540027 +H 8.69958659 8.65565413 5.49826549 -0.00037734 -0.01083018 0.00979413 0.00114679 -0.03396727 -0.01550811 -0.00380349 0.00617687 -0.01045417 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04133788 5.78256918 5.61955250 0.00375851 0.00141039 0.00086827 0.01295541 0.00027948 0.01150487 0.00112518 -0.00016074 0.00248729 +C 2.30094310 6.09353339 5.90664039 0.00807799 0.00181049 -0.00337612 0.05067913 0.03906545 -0.02465004 0.00293511 0.00396621 -0.00438921 +H 0.88516589 4.87577810 5.67917459 0.00381680 -0.01761978 0.01388275 0.02799385 0.01143238 0.05736524 0.00287508 0.01053121 0.00373327 +C 2.68525441 7.46876842 6.17348696 0.00008768 -0.00839364 0.00138229 -0.00412829 -0.04831950 0.00458252 0.00088154 0.00057179 0.00129770 +H 2.97526946 4.13706126 5.55269723 -0.00459095 -0.02855620 -0.03121159 0.10427412 0.01428055 -0.12058673 0.02423489 0.01980939 -0.00213268 +C 4.02190715 7.86591936 6.26755581 0.00448146 -0.00128506 -0.00242683 0.01090972 0.01216352 0.00340446 -0.00283201 0.00307762 0.00247550 +H 1.91772107 8.19112449 6.23745604 0.01457232 0.01232974 0.01667131 0.05574767 0.03785591 0.09146808 0.00538580 -0.01874449 0.00399105 +C 5.01158271 6.89617646 6.21967794 0.00144467 0.00725064 -0.00179774 0.01380395 0.01705508 -0.03104625 0.00052780 -0.00364799 -0.00690419 +H 4.25653082 8.87944375 6.51253487 -0.00102734 0.02972188 -0.00382443 -0.03333241 0.02216959 -0.09577931 -0.00493865 -0.01536658 -0.01692279 +C 4.62513975 5.56849005 5.90265054 -0.00941396 0.00604298 -0.00266494 -0.03104002 0.00314044 -0.00685344 0.00085547 -0.00171428 0.00080993 +N 6.33629641 7.30808159 6.38172570 -0.00208129 -0.00295264 0.00225108 -0.01498076 -0.02678198 0.00150855 -0.00259941 -0.00092935 0.00042513 +C 3.27878269 5.14249573 5.76666405 -0.00045688 -0.00170661 0.00239494 0.00529507 -0.02416526 0.00520895 0.00221865 -0.00303012 -0.00122533 +H 5.32018730 4.71980108 5.86935484 0.00948974 -0.01820765 -0.00861085 0.00110122 0.14046258 -0.09155477 0.01080850 0.02576007 -0.01806569 +C 7.47753448 6.84032312 5.76940158 -0.00459688 0.00469280 0.00816282 -0.04508642 0.04113595 0.05754658 -0.00425651 0.00123656 0.00288896 +H 6.39574714 8.21713883 6.78837956 -0.00996257 -0.01552185 -0.01287310 0.02087812 -0.00136459 0.02563912 0.01070971 -0.00769247 0.01055642 +O 7.59407042 5.93612693 5.00142718 -0.00547763 -0.00642009 -0.00217545 -0.04736338 -0.04684806 -0.00893503 -0.00822240 -0.00370164 0.00226252 +C 8.64738356 7.70644494 6.06135951 0.00269485 0.00546286 0.00063152 0.03136535 0.03373892 0.01953574 0.00639799 0.00079570 0.00192876 +H 8.98646789 7.53612605 7.08911855 0.02400469 -0.00253651 0.00934995 0.13109302 -0.00246752 -0.05768971 0.01588638 0.00550265 -0.01154222 +H 9.37210507 7.33608044 5.38188303 -0.01374385 -0.00682382 -0.00968019 0.03552040 0.06144537 -0.06806822 0.00388781 0.02646034 0.00645649 +H 8.47824624 8.82471281 5.98961287 0.00601632 0.00243426 -0.01171396 0.03211467 -0.05206918 -0.13295016 -0.00025068 0.01299787 -0.02021905 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99159435 5.88471007 5.88173812 0.00378199 0.00037047 -0.00518167 0.02225640 0.00496441 -0.04071807 0.00350327 -0.00018007 -0.00344874 +C 2.33597902 6.00332354 5.98733280 0.00467165 0.00281614 0.00515820 0.02046533 0.01782666 0.03317032 -0.00002831 0.00219266 0.00401725 +H 0.69779606 6.21846896 5.02062889 -0.00497107 0.00994020 -0.01727686 -0.01706237 0.00962629 0.02429122 -0.01099238 0.00977098 -0.01647874 +C 3.01976862 5.56542674 7.11430831 -0.00487670 -0.00209005 0.01032629 -0.01411836 0.00300435 0.05981494 -0.00297894 0.00076622 0.00971686 +H 2.49154169 6.93119883 4.13254268 0.00826030 -0.00824443 0.00024441 0.04009169 -0.07294022 -0.12994179 0.01208449 -0.02125726 -0.00594211 +C 4.41525546 5.77550865 7.21974987 -0.00787485 -0.00487344 0.00311217 -0.03739314 -0.02905340 0.00377091 -0.00009633 -0.00312236 -0.00108788 +H 2.51406470 5.19975639 7.94517115 0.01723413 0.01421644 -0.02023960 -0.09022791 -0.11469000 0.11198472 -0.01054510 -0.01987692 0.00438866 +C 5.10137016 6.44372417 6.15673797 0.00054320 0.00066225 0.00247723 -0.00410287 -0.00901111 0.01567319 -0.00216539 -0.00262017 -0.00006211 +H 4.91643876 5.35997534 8.06362779 0.00526670 -0.01945784 -0.00923655 0.02557808 -0.02851859 -0.01109639 -0.00662745 0.01304734 -0.00128695 +C 4.40379733 6.70535228 4.97848465 -0.00075676 0.00539722 -0.00388894 0.00837137 0.04444777 -0.04496403 0.00297516 0.00575799 -0.00433665 +N 6.44309119 6.72106208 6.31416095 0.00031295 -0.00492409 -0.00100250 0.02985803 -0.04238718 0.00953276 0.00623206 -0.00625384 0.00159280 +C 3.05103027 6.56318074 4.93363101 0.00210943 -0.00043046 0.00151323 -0.01273173 -0.00234666 0.00768770 -0.00480307 0.00106382 -0.00280957 +H 4.74568267 7.02757093 4.00480370 -0.00726233 -0.00099056 -0.03813035 0.10855876 0.04992124 0.03150511 0.03578226 0.01854204 0.02973730 +C 7.40282139 7.36109638 5.64231825 0.00126803 0.00425557 -0.00606280 -0.01287103 0.02261445 -0.04769510 -0.00380299 -0.00045015 -0.00145195 +H 6.89987224 6.32992736 7.13851781 -0.00217395 -0.02209414 -0.00223690 -0.09592104 -0.12415880 -0.00248892 -0.00784260 -0.01568979 0.01289574 +O 7.14399442 7.83481676 4.49269913 -0.00300566 -0.00256230 0.00059684 -0.00370996 -0.01531115 0.01493493 0.00135384 -0.00069270 0.00118940 +C 8.78052759 7.45633441 6.36061747 0.00298516 0.00452288 0.00451441 -0.01253576 0.02507473 0.00716502 -0.00758881 0.00460109 -0.00143490 +H 9.26430758 6.45293336 6.44485163 -0.00734454 0.01112113 -0.01889634 0.00672732 0.06451232 -0.15793414 0.01240372 -0.00533576 -0.01760706 +H 9.45420682 8.24833066 5.95121535 -0.01457784 -0.01759198 0.00321185 -0.01030544 -0.04678460 -0.07128878 0.01384565 0.01084384 -0.02621696 +H 8.53686910 7.70468759 7.36481890 0.01190475 0.01405825 -0.01509010 0.09680623 0.15169861 0.06917654 0.01850417 0.01313182 0.00383961 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99192137 5.64900725 5.89493075 0.00232626 0.00476078 0.00146089 0.02166914 0.03876564 0.01515640 0.00359340 0.00516225 0.00041283 +C 2.32949312 5.98316023 5.77361233 0.00021664 -0.00106705 -0.00086991 -0.00009157 -0.01735294 0.00583663 0.00190915 -0.00359398 0.00268655 +H 0.65874226 5.92247997 6.77185314 -0.00604823 -0.00222972 0.00832163 -0.03964071 -0.01565956 -0.03482576 -0.01531003 0.00915035 0.01634216 +C 3.19210982 5.01780117 5.24025934 0.00327349 -0.00936838 -0.00090102 -0.00154279 -0.06689678 -0.01965453 -0.00469239 -0.00854855 -0.00573573 +H 2.31622461 7.82458454 6.93807827 -0.00943598 0.00952236 0.01687266 -0.05759346 0.01770002 0.00097283 0.00157659 -0.00931944 -0.02274289 +C 4.54691109 5.17518467 5.17383684 0.00288975 -0.00518148 -0.00302467 0.03794883 -0.01408324 -0.00859536 0.00701667 -0.00091357 0.00054832 +H 2.89563181 4.06596432 4.90061435 -0.01018727 0.01050462 -0.04215546 -0.17605264 0.06472926 -0.25623370 -0.02026454 0.02259684 -0.01153018 +C 5.10761143 6.34742969 5.73448647 0.00302769 -0.00031277 0.00260342 0.02776881 -0.00237903 -0.00569758 0.00152862 -0.00082869 -0.00360425 +H 5.13011775 4.42869386 4.67955840 -0.00356314 -0.01505941 0.01056801 0.03934454 -0.09701793 0.07536194 0.00932841 0.00145193 0.01132781 +C 4.26038478 7.34912122 6.28977240 -0.00179921 -0.00455104 -0.00246369 0.01385796 -0.04114960 0.00130417 0.00475014 -0.00674556 0.00213289 +N 6.53480114 6.48140369 5.62976550 -0.00779889 0.00689856 0.00454562 -0.05680760 0.03716103 0.04061328 -0.00642047 0.00249742 0.00584256 +C 2.87783649 7.13870747 6.36849749 -0.00088838 0.00306324 0.00061733 -0.01304792 0.01678877 0.00495171 -0.00258729 0.00069287 0.00079334 +H 4.72402157 8.13610696 6.87398687 0.03809974 -0.01376325 -0.00931902 0.07115281 -0.02049247 -0.13587508 -0.01867806 0.01596595 -0.01832456 +C 7.35108667 7.44754738 6.09342210 -0.00585518 -0.00293208 0.00646231 -0.02902975 0.01109869 0.03637435 -0.00086672 0.00613337 0.00316982 +H 7.08317651 5.73498585 5.27324941 -0.02045509 0.00491679 -0.02332436 -0.20249933 0.02584835 -0.12611767 -0.03120895 0.01361712 -0.00392069 +O 7.01148592 8.59544640 6.40906369 0.00426133 0.00872286 -0.00226622 0.02556894 0.04495096 -0.01413880 0.00297483 0.00388476 -0.00162073 +C 8.83636412 7.16038842 6.13521911 0.00264935 -0.00623430 -0.00424281 0.00546000 -0.03061543 -0.02981618 -0.00084542 -0.00134604 -0.00330881 +H 9.30916859 7.92576223 5.60188387 0.00077322 0.02184951 0.01152215 0.03283776 0.10486277 0.07925618 -0.00252572 -0.01818535 0.02339369 +H 9.19956607 7.22440628 7.13453151 -0.02915081 -0.01159817 0.00967609 -0.13961142 -0.14951793 0.06097151 -0.01095361 -0.03042165 -0.01463485 +H 9.11758819 6.24403762 5.64571494 0.00190736 0.00274796 -0.01086979 0.01928628 -0.05270559 -0.06174684 -0.00102707 -0.00262941 -0.00239159 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.05756080 5.85489753 5.68679564 0.00142408 0.01084189 -0.00291286 0.00006277 0.05858434 -0.01980175 -0.00041894 0.00784306 -0.00255980 +C 2.38573524 6.12078593 5.82220097 -0.00094428 0.00158335 0.00357821 0.00059771 0.02869219 0.03013043 0.00144487 0.00342730 0.00392075 +H 0.74742255 4.96282228 5.67881510 -0.00377402 -0.01352422 0.00128634 0.09926197 0.06566645 0.00072648 0.01781334 -0.00180953 -0.00138600 +C 2.68377514 7.51493043 6.10981272 0.01170041 0.00520388 -0.00332773 0.01979666 -0.02637852 -0.04083759 -0.00618233 -0.01138358 -0.00716373 +H 3.12279467 4.06910900 5.65410618 0.01523390 -0.02854120 0.00287405 0.11219094 -0.01790142 0.02387745 0.00983005 0.02130391 0.00285853 +C 4.00608975 7.89371171 6.13173189 -0.00483207 -0.01180187 -0.00374579 -0.01100205 -0.06520120 -0.01392324 0.00468341 -0.00304544 0.00092975 +H 1.82263661 8.16849024 6.17884049 -0.01472588 -0.01306846 0.01752792 0.08821237 -0.00164236 0.09597029 0.02982242 0.01691446 0.00575863 +C 4.97733623 6.91276876 6.08138975 0.00034899 -0.00568168 0.00092110 0.03164322 -0.03800311 0.01254101 0.00634503 -0.00408431 0.00248278 +H 4.25782245 8.88702234 6.24820854 -0.00071731 -0.02091175 0.02131177 -0.00658756 -0.01119489 0.12507364 -0.01105038 -0.01971004 0.00420879 +C 4.69397552 5.52255828 5.99019909 -0.00057201 -0.00154812 -0.00095697 0.00529631 -0.01967870 -0.00076827 0.00242703 -0.00423130 0.00039759 +N 6.27925702 7.40350321 6.22086635 -0.00534585 0.00595833 0.00356105 -0.02454570 0.02958566 0.01697064 -0.00109364 0.00137046 0.00121976 +C 3.37418128 5.10091258 5.76211570 0.00652253 -0.00244426 0.00324812 0.01837676 -0.00543881 0.02857205 -0.00250071 0.00198840 0.00489832 +H 5.46775427 4.79123423 6.17582143 -0.00306958 -0.02358936 -0.00022564 -0.06250786 -0.07732739 -0.11332119 -0.00392395 -0.00125161 -0.02741814 +C 7.44840087 6.85352027 5.83651190 -0.00331514 -0.00517114 0.00466778 -0.05708669 -0.03083787 0.03161793 -0.00902051 -0.00121800 0.00371295 +H 6.35752274 8.36153775 6.51368851 0.00601461 0.01128045 -0.00997596 -0.00209134 0.05113780 -0.05903594 -0.00904622 0.00154172 -0.00628566 +O 7.53121800 5.70541339 5.41877460 0.00047963 -0.00222788 -0.00227717 0.00986670 -0.01695291 -0.01671377 0.00162035 -0.00250401 -0.00210056 +C 8.60327328 7.73089948 5.93205452 -0.00408169 0.00901008 -0.00334702 0.00403925 0.05916340 -0.02555456 -0.00034058 0.00747113 -0.00250243 +H 9.10460356 7.50704075 6.90267763 -0.01383712 -0.00263459 -0.01439030 -0.02142127 -0.02121120 -0.07253015 0.01693859 -0.00373829 0.00624177 +H 9.33977950 7.56440302 5.10880551 0.00850566 0.00206545 -0.01501674 -0.06656969 0.04049773 0.00850921 -0.00629554 0.00930503 -0.00717962 +H 8.38921969 8.78771762 5.95312578 -0.00707543 -0.00131181 0.01713626 -0.09595899 0.06403712 0.07498606 -0.01050039 0.00563481 0.00067254 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04945434 5.54690134 5.86061926 0.00624830 -0.00463355 0.00499180 0.01454701 -0.02751774 0.01973192 -0.00015734 -0.00469333 0.00236059 +C 2.31294645 5.96764695 5.91317114 -0.00539741 0.00092280 -0.00045328 0.01618463 -0.00337973 0.03807293 0.00779619 -0.00060578 0.00689897 +H 0.49650843 6.08160790 5.28834817 -0.01224810 0.00524198 -0.00337470 0.01783187 -0.06762186 0.05064081 -0.00851126 0.00078016 -0.00904497 +C 3.07793886 5.62774468 7.09995136 -0.00591584 -0.00456851 -0.00081774 -0.08100567 -0.03453825 -0.02369279 -0.01008679 -0.00292239 -0.00465357 +H 2.61472516 6.75631088 3.90595421 -0.01633854 -0.01862434 0.00729991 -0.16120532 -0.05399751 0.04258226 -0.01684777 0.00679911 0.00907675 +C 4.40632813 5.93157858 7.23329682 -0.00411945 0.00194881 0.00004534 -0.02003791 0.02328463 0.00660451 -0.00532689 0.00288637 0.00200028 +H 2.51939822 5.02088516 7.85932806 -0.02471297 0.00398029 -0.01183078 -0.06308478 0.05068773 -0.03342371 -0.01004896 -0.00808328 0.02193618 +C 5.04829999 6.71483146 6.24864060 -0.00085623 -0.00408919 0.00175629 0.00516615 -0.04703284 -0.00119313 0.00276554 -0.00668091 -0.00501743 +H 4.97327423 5.60060806 8.10381683 -0.00741144 0.00749231 -0.00505647 -0.06270789 0.02736894 0.02522232 -0.00653068 0.00058243 0.01509736 +C 4.33984612 6.93504355 5.08081708 0.00567759 0.00463372 -0.00247041 0.02602339 0.05573311 -0.03922626 0.00128934 0.00875024 -0.00658260 +N 6.42344123 6.80875769 6.35773202 0.00081491 0.00389817 -0.00471886 0.00953958 0.02667722 -0.01847195 0.00025286 0.00210678 0.00074846 +C 3.00956822 6.57252481 4.88835111 0.00171479 0.00774314 0.00013426 0.00126877 0.04922180 -0.00359424 -0.00247475 0.00537861 -0.00000970 +H 4.71464083 7.53743423 4.24336343 -0.00864486 -0.01405278 -0.01590776 0.12712866 -0.13953009 -0.08630910 0.04316847 -0.01518709 -0.01337495 +C 7.40980688 7.38448335 5.60763952 0.00476192 -0.00535189 0.00158976 0.00582128 -0.05475728 0.01238922 -0.00250257 -0.00719143 -0.00132747 +H 6.77991670 6.30954778 7.15038674 -0.00454091 -0.00659032 0.00759756 -0.02522242 0.03936662 -0.02014322 0.00346100 0.01315130 -0.00418412 +O 7.23861784 7.96201370 4.53992914 -0.00074688 0.00037869 0.00086705 0.00517722 0.00196213 0.01305160 0.00233645 -0.00055106 0.00370484 +C 8.75237055 7.02381100 6.26577888 -0.00087102 0.00141344 0.00183948 0.00780335 0.02485863 -0.02208997 0.00373418 0.00410594 -0.00399224 +H 8.92160666 5.98038389 6.15160304 0.01225447 -0.01303837 -0.00868051 0.03727061 -0.00991864 0.08651649 -0.00416026 0.02568335 0.02933619 +H 9.58016852 7.50884137 5.76729433 0.02622117 -0.00231042 -0.00818476 0.02350141 -0.00882212 0.00747271 -0.01567992 0.00273245 0.00228623 +H 8.60113543 7.42085445 7.23763645 -0.00357636 0.01966241 -0.00862953 0.12290294 0.03783247 0.05377963 0.03431209 -0.01682870 -0.00666455 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94291258 5.84904327 5.78532169 -0.00123489 0.00377462 0.00104130 -0.01773630 -0.00140128 -0.00119170 -0.00323995 -0.00265887 -0.00090039 +C 2.26159003 6.08335558 5.85331120 -0.00491915 -0.00292131 0.00493210 0.00731273 0.00877820 0.04195969 0.00681126 0.00224751 0.00548432 +H 0.82981729 4.94573300 5.61439338 -0.02277735 -0.01237332 -0.01208291 -0.16911915 0.05994987 -0.06439244 -0.02280814 0.01393345 -0.00990696 +C 2.61691177 7.34207211 6.35639223 0.00267307 0.00004683 -0.00571072 -0.01294924 0.00269474 -0.03442938 -0.00572698 0.00342372 -0.00313256 +H 3.15844313 4.35706718 4.88298537 -0.00312954 0.01752248 0.01148626 -0.06089026 -0.04115828 0.08482346 -0.00901586 -0.02875648 0.01154484 +C 3.93620315 7.75481990 6.43141189 -0.00536149 -0.00180318 0.00228959 0.00157846 0.00724420 0.01227271 0.00575957 -0.00130789 -0.00023429 +H 1.82011708 7.97556637 6.65038230 -0.00664122 0.00270414 -0.01529843 -0.00571133 0.07026427 -0.10198202 0.01091520 0.00773589 -0.01544538 +C 5.00196691 6.90553686 6.09458686 0.00273068 -0.00218109 -0.00132280 0.02925103 -0.00218234 0.00112928 0.00316111 0.00147300 0.00147355 +H 4.12909074 8.83614152 6.69435108 0.01730849 0.00410171 -0.01029492 0.05917882 -0.09832682 0.00095431 0.00371653 0.01415327 0.02135632 +C 4.69562033 5.64321812 5.59925767 -0.00241077 0.00279305 -0.00511932 -0.01293525 -0.00218836 -0.04728007 -0.00024324 -0.00166601 -0.00736983 +N 6.33733520 7.37065363 6.21692693 0.00158752 0.00338808 0.00213779 -0.01106850 0.04538922 0.01572706 -0.00566546 0.00771249 0.00192067 +C 3.32686578 5.28645444 5.43102764 0.00732956 -0.00279891 0.00574589 0.02956642 -0.03083355 0.03313234 -0.00234250 -0.00480996 0.00434870 +H 5.46113304 4.95384967 5.26710829 0.00249974 -0.01868756 -0.02559310 -0.10190160 -0.00397676 -0.10672124 -0.01141652 0.00773002 -0.00927511 +C 7.52630996 6.83177086 5.89136911 -0.00859310 0.00858893 0.00061395 -0.03275145 0.04068236 -0.00914863 0.00110530 -0.00073433 -0.00408178 +H 6.45763479 8.34376668 6.46272406 -0.02756039 0.01943204 0.01251787 -0.18074845 0.00385989 0.08070719 -0.01241206 -0.00043861 0.01380458 +O 7.60933195 5.67422632 5.50749414 0.00802617 -0.00412100 -0.00335417 0.06182259 -0.01042415 -0.01592459 0.00832499 0.00314420 -0.00054348 +C 8.76152142 7.83310630 5.87085497 -0.00307064 -0.00575447 -0.00077844 -0.02432468 -0.04773960 0.01627937 -0.00312248 -0.00699869 0.00094983 +H 9.05130699 7.88317334 4.85839901 0.00609062 0.00036717 0.00109971 0.12037746 -0.01398579 0.00028883 0.00830594 -0.00433758 0.02498863 +H 8.47162802 8.88541047 6.11586779 0.00548264 -0.01574206 0.01942656 -0.02267212 -0.11944127 0.11221438 -0.01459493 0.00049202 0.01447198 +H 9.56267349 7.60094632 6.59878469 0.03735736 0.00911510 0.01799421 -0.00271125 -0.01966510 -0.11857456 -0.01904308 -0.02562095 -0.02478252 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94210150 5.78442834 5.78598605 -0.00138339 0.00396347 0.00221508 -0.02004212 0.03862135 0.02580295 -0.00497583 0.00407261 0.00424053 +C 2.24642959 6.12558210 5.93967999 -0.00288957 -0.00972875 0.00349129 -0.00147120 -0.03178603 0.02882659 0.00304802 0.00004111 0.00363565 +H 0.76233616 4.96040842 5.40756490 -0.02018694 0.01451716 0.03480398 -0.10431673 -0.04054049 0.18009208 0.00232482 0.01610580 0.03083980 +C 2.65499491 7.44507908 6.40999388 0.00380656 -0.00624727 -0.00956418 0.01669874 -0.05479462 -0.06908695 0.00227812 -0.01002019 -0.00957317 +H 3.00208011 4.20492961 5.12784188 0.02801566 0.00982671 0.00480489 0.07183178 0.02586834 0.02678859 -0.00966156 -0.00825105 -0.00385160 +C 4.02501305 7.77675002 6.29232747 0.00301560 -0.00274818 -0.00113375 0.00526261 -0.00153361 -0.00084405 -0.00392425 0.00115300 -0.00000718 +H 2.01190586 8.25801510 6.78232016 -0.01070389 0.01287353 0.01404989 -0.01579522 -0.18438345 -0.07206187 -0.01237605 -0.03541932 -0.02435104 +C 5.03224512 6.89569008 5.89097829 -0.00127270 0.00186248 0.00105373 -0.02904679 -0.00442305 0.01230110 -0.00254863 -0.00174234 0.00280756 +H 4.38224753 8.78973521 6.57059691 -0.01660966 0.00312505 -0.02647446 -0.16612915 0.02961161 -0.11739298 -0.01630045 0.01983374 0.00009835 +C 4.61964713 5.58150355 5.50734607 0.00044906 0.00385992 0.00213477 -0.00469640 0.02363471 0.00504646 0.00031044 0.00192906 -0.00232705 +N 6.27737684 7.42736354 5.96175464 0.00029828 -0.00539284 0.00262084 0.05129419 -0.02479107 0.01613949 0.00868944 -0.00177974 0.00188742 +C 3.22533411 5.20422805 5.52948028 -0.00039771 0.00506651 -0.00388949 0.03431556 0.03601726 -0.02996751 0.00823772 0.00426461 -0.00375552 +H 5.30379924 4.86062003 5.16746917 0.00643619 0.00829088 -0.03476512 0.03615276 0.10293102 -0.14076187 -0.00910305 0.02776617 0.00620700 +C 7.55268836 6.87073081 5.90838464 -0.00146837 -0.00243533 0.00004802 -0.03842459 -0.00270583 -0.00231709 -0.00388590 0.00119799 -0.00053209 +H 6.33913395 8.41687039 6.14554962 0.01507114 0.00130861 0.01724659 0.03241055 -0.05617989 0.06919576 -0.00192313 -0.00424266 0.00456886 +O 7.65096170 5.64716766 5.86101728 -0.00382737 0.00049981 0.00058265 -0.01220150 0.00250262 0.00219363 0.00001219 0.00012030 -0.00002351 +C 8.76888777 7.84573070 5.89530175 0.00485300 0.00555939 -0.00178474 0.02557830 0.01430683 0.00781238 -0.00430687 -0.00077841 0.00139982 +H 8.48995224 8.87961567 6.05809433 -0.00299235 0.01644352 0.00742593 0.00867307 0.00552987 0.01143865 0.00634515 -0.01351859 -0.00677582 +H 9.52116615 7.52214300 6.72550294 0.01172638 0.00374590 0.01580283 -0.09133026 0.10153752 -0.06656577 0.00816963 0.00470670 0.01347872 +H 9.35776374 7.77955528 4.93755710 -0.00483274 -0.00870549 0.00119999 -0.07040568 -0.03898506 0.01531396 -0.00001014 -0.00167098 -0.01385514 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03231850 5.72386527 5.93105614 0.00547828 0.00444672 -0.00606570 0.03540371 0.04238806 -0.03582222 0.00393340 0.00456722 -0.00502707 +C 2.32893220 6.13770532 5.93643965 0.00484918 0.00285909 0.00349977 0.03025910 -0.01050426 0.00692565 0.00355936 -0.00450521 -0.00070458 +H 0.91940440 4.85567230 5.63425297 0.01091082 0.01967939 0.00462086 0.05104152 -0.00769495 -0.02288581 0.00670114 0.02060979 0.00266472 +C 2.67603482 7.39736515 6.43007446 -0.00357196 -0.00142175 0.00172819 -0.01956316 0.01870628 0.02365019 -0.00126883 0.00328192 0.00350427 +H 3.12400842 4.24859651 5.04574311 -0.01428105 -0.01362674 0.01052692 -0.14893131 -0.00912313 0.02507850 -0.02063062 0.00479221 -0.00377618 +C 3.99249169 7.86443120 6.47311272 0.00218622 0.00000750 -0.00496212 0.01784659 -0.03549163 -0.06733372 0.00030499 -0.00634718 -0.01090607 +H 1.99511203 8.16566128 6.77730791 -0.02302697 -0.01231067 0.01237685 -0.18656671 -0.20606112 0.06680251 -0.02069244 -0.03043685 0.00787214 +C 4.95772410 6.95951333 5.84379292 -0.00067745 -0.00218854 0.00386173 0.02830549 0.00754186 0.04680989 0.00785450 0.00182557 0.00706241 +H 4.24086144 8.86035694 6.76493523 -0.00429826 0.00662256 0.00055129 -0.01860162 -0.04013870 0.03116936 0.00026638 -0.02780185 0.00079799 +C 4.64432873 5.64784240 5.38160992 0.00154661 -0.00153549 -0.00355947 0.00401815 0.01985055 -0.02955712 -0.00201687 0.00576524 -0.00394050 +N 6.30043601 7.44235188 5.85440217 0.00041219 0.00761784 0.00722765 -0.03411991 0.04095720 0.04774635 -0.00730471 0.00348366 0.00651179 +C 3.30944835 5.26807024 5.37296420 -0.00159557 -0.00943856 0.00392088 -0.00944235 -0.05970674 0.04699741 0.00002293 -0.00543853 0.00901924 +H 5.44857649 5.08723316 4.88835059 -0.01537664 0.00004599 -0.01331255 -0.10005945 -0.09433273 -0.02949326 -0.00279058 -0.02047781 0.00331373 +C 7.45739267 6.83373693 5.85574542 -0.00222139 0.00008437 -0.00470013 -0.00901049 -0.00521949 -0.02875315 -0.00111269 0.00101333 -0.00293097 +H 6.39249970 8.44318569 6.02509524 -0.00370115 -0.01117679 0.02444667 -0.03053465 0.02411898 0.16675020 -0.00608693 0.01206529 0.01936065 +O 7.68147983 5.64059688 5.76422562 -0.00015967 0.00387850 0.00167456 -0.01000125 0.01117559 0.00654194 -0.00284738 -0.00148875 -0.00004004 +C 8.58738144 7.71959925 6.08435666 -0.00170481 -0.00525722 -0.00257818 0.03011468 -0.01353588 -0.03928851 0.00512591 0.00073067 -0.00141085 +H 8.43905233 8.31399245 6.91805844 -0.01872232 -0.02874074 -0.01166904 -0.15645368 -0.00431654 0.05240270 -0.00468379 -0.00137685 -0.01678620 +H 9.52763717 7.21384621 6.35587147 0.00359642 -0.00727885 0.00188478 -0.04440853 -0.09114616 -0.04948094 -0.00091979 -0.01734939 -0.01427188 +H 8.86439376 8.35512125 5.17230176 -0.01107634 0.01005447 -0.02692728 -0.15877264 -0.05689947 0.04409011 -0.01547612 0.00648601 -0.00557778 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00105374 5.84883098 5.81230733 -0.00331161 0.00055967 0.00533768 -0.02756589 0.00110646 0.03883195 -0.00493391 0.00042342 0.00459687 +C 2.36074872 6.00855999 5.93316406 -0.00368736 -0.00145746 -0.00625995 -0.03031309 -0.03180807 -0.03314813 -0.00168270 -0.00770905 -0.00131349 +H 0.50025147 6.28181923 5.17886313 -0.00756212 -0.00612416 -0.01196796 0.07366306 -0.04530424 -0.06629344 0.02874772 -0.01321133 0.00136017 +C 3.02171367 5.51878233 7.09263755 -0.00286527 -0.00330352 0.00300254 -0.00777916 0.00941458 0.01778897 -0.00154674 0.00508483 0.00342137 +H 2.65831905 6.84870370 3.88291107 0.01086649 0.01828541 -0.00203220 -0.00267391 0.09455651 0.09147473 -0.00659306 0.00826558 0.01923373 +C 4.40621549 5.81030936 7.31630615 0.00601379 0.00041492 0.00242750 0.01128959 -0.00722963 -0.01963987 -0.00198157 -0.00279613 -0.00568326 +H 2.44450432 5.09578057 7.83814627 -0.00323946 0.01633729 0.01949384 -0.01912738 0.05755115 0.13489951 0.01769165 0.01222575 -0.01256775 +C 5.13266014 6.36415450 6.22388804 0.00240302 0.00287511 -0.00010060 -0.02683886 0.04640253 -0.00425075 -0.00766270 0.00945098 -0.00037722 +H 4.83680621 5.58379495 8.26211823 0.00477144 0.00505551 -0.01366346 0.10680792 -0.01516926 -0.00548448 0.00970058 -0.00375617 -0.01142541 +C 4.38793209 6.82966247 5.07406087 -0.00160722 0.00362290 0.00136644 0.02525580 0.00202907 0.02164664 0.00986903 -0.00040078 0.00179652 +N 6.43875421 6.70793911 6.41394667 -0.00525036 0.00107932 -0.00974174 0.00289536 -0.00033932 -0.05102502 0.00220085 -0.00238704 -0.00458140 +C 3.03659538 6.57241104 4.85789054 0.01292412 -0.00315612 -0.00027664 0.07551521 -0.01562270 0.00237713 0.00454528 -0.00199741 0.00164672 +H 4.90704095 7.26220321 4.24837708 -0.01334318 0.00336683 0.02967455 0.00781555 0.15210446 0.03372952 0.00326750 0.02399471 -0.00043329 +C 7.35960339 7.36681484 5.64112275 -0.00451492 -0.00734270 -0.00593565 -0.02005685 -0.06422945 -0.00925180 0.00176325 -0.00731202 -0.00060567 +H 6.90236790 6.39426700 7.26419061 -0.00772259 -0.01649383 0.00273861 -0.14517472 -0.08707908 -0.06691930 -0.01366488 -0.01300096 -0.00210504 +O 7.13047810 7.88818753 4.61021728 0.00324525 0.00197621 -0.00040664 0.01282968 0.02523551 -0.02936998 0.00067413 0.00409315 -0.00626900 +C 8.79626415 7.38206607 6.13287657 -0.00313317 -0.00006920 0.00849081 -0.01297752 0.00544529 0.04518989 -0.00167029 0.00301080 0.00458364 +H 8.93314825 7.77653435 7.13966920 -0.02372014 0.00204243 0.00678385 -0.18228579 0.00851353 0.06366925 -0.02267949 -0.00520455 0.00831626 +H 9.26241551 6.36310163 6.10362160 0.01540225 0.01282205 -0.00950914 0.04977664 0.09642039 -0.03345066 0.00527167 -0.00699178 0.00588549 +H 9.31011581 8.02327477 5.44496295 0.03262904 0.00974422 0.00324118 0.13690267 -0.01248619 0.16042945 -0.00417850 -0.00903822 0.04060726 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99878046 5.74937624 5.72269584 0.00078725 -0.00469801 -0.00281632 -0.00243407 -0.04699760 -0.02270021 -0.00117927 -0.00960532 -0.00384537 +C 2.28619633 6.10501251 5.87117801 -0.00567193 -0.00626066 -0.00280409 -0.00613353 0.00428462 0.00228781 0.00438976 0.00870961 0.00452168 +H 0.92810137 4.85289496 5.58004707 0.01608984 -0.01145734 -0.01384688 0.05382372 -0.04953367 -0.10496075 -0.00046418 0.01407590 -0.01288712 +C 2.55397856 7.39435071 6.38937249 0.00013048 0.00477232 0.00952818 0.02364637 0.00509550 0.03796380 0.00666873 -0.00724842 -0.00102641 +H 3.17932339 4.22654354 5.11314916 0.00725482 0.01147842 0.00552800 0.06785199 0.13888748 0.05004693 0.00495170 -0.00735659 -0.00300644 +C 3.92764480 7.81090071 6.48960274 0.00742072 -0.00614880 -0.00829454 0.00941527 -0.01415908 -0.04465165 -0.00608723 0.00501208 -0.00241091 +H 1.74106864 8.15496921 6.63650103 -0.00854600 -0.01106001 -0.02418331 -0.01574759 -0.11555112 -0.10402351 -0.01589466 0.00749313 0.00732707 +C 5.01656936 6.96457118 6.11008489 -0.00552133 0.00515107 0.00455694 -0.01171876 0.04406670 0.01815631 0.00375593 0.00329466 -0.00125951 +H 4.09840861 8.83304254 6.76419370 -0.02073874 0.00265822 0.00080947 -0.04737242 -0.03122699 0.01208320 0.01094544 -0.00855788 -0.00068813 +C 4.72528090 5.71033906 5.62630175 0.00297570 0.00695399 -0.00133569 -0.00849513 0.01966681 -0.00557918 -0.00424767 -0.00005366 0.00074848 +N 6.32241398 7.48584627 6.10426573 -0.00050552 0.00050304 -0.00151994 -0.01433581 -0.00662982 0.00329338 -0.00159526 -0.00139040 0.00260515 +C 3.37188019 5.26419254 5.49376086 0.00545196 0.01105348 0.00851173 0.02908902 0.06164740 0.05475822 0.00154727 0.00754476 0.00697654 +H 5.52554111 5.03485038 5.37628870 -0.01961355 -0.01953881 0.00441111 -0.13369400 -0.11184656 -0.02713412 -0.00874205 -0.00096344 -0.00975991 +C 7.45912492 6.83211825 5.83070599 0.00313144 0.00128435 0.00047721 0.02750375 -0.02055725 -0.01299169 0.00133806 -0.00466923 -0.00311494 +H 6.42867278 8.38915578 6.46442803 -0.00440580 0.01190739 0.00861426 -0.01960263 0.02328655 -0.02117346 -0.00114038 -0.01723454 -0.01854199 +O 7.66647248 5.62761766 5.48180042 -0.00214246 -0.00286008 -0.00387274 -0.02690521 0.00701587 -0.01728386 -0.00512311 0.00367669 -0.00142794 +C 8.66829870 7.69126873 5.92147357 -0.00325389 -0.00242463 -0.00136565 -0.00461194 0.00376786 0.01088355 0.00159165 0.00037542 0.00054116 +H 8.83101131 8.01019302 7.01570261 0.00319193 -0.01008591 0.02280442 0.05479019 -0.15749995 -0.10187292 0.01591722 -0.01346742 0.00613743 +H 9.53670483 7.26612663 5.37826125 -0.01187763 -0.01750297 0.01665428 -0.03062555 -0.16849518 0.19602780 0.00770001 -0.02631277 0.02801718 +H 8.51427012 8.63102790 5.35905751 0.01161463 -0.01478760 -0.00400903 0.03606367 -0.03829898 -0.03492725 0.00220246 0.01125467 -0.00839443 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01528009 5.57676710 5.86024959 0.00163243 -0.00252191 -0.00175421 0.00692391 -0.00717689 0.00064820 -0.00078010 0.00117140 0.00257890 +C 2.30175555 6.08419647 5.95448807 -0.00509041 0.00060470 0.00281845 -0.04466988 0.00923099 0.02251934 -0.00387394 0.00184503 0.00155121 +H 0.84650702 4.80015834 5.28299930 -0.01184730 -0.00499995 0.02078928 0.00870373 -0.04415191 0.08600011 0.01347612 -0.02180029 -0.00674612 +C 2.77418667 6.70725969 7.14059132 -0.00798603 0.00022692 0.00563870 -0.01954004 -0.00821211 0.01565155 0.00204051 -0.00229173 -0.00063336 +H 2.64387641 5.51588640 3.98149240 -0.00278850 0.03454072 0.00596741 0.07111179 0.22327879 -0.10995773 0.02323637 0.02324436 -0.02569352 +C 4.15858641 7.06100734 7.25970854 0.00101145 0.00053289 -0.00113800 -0.03028911 -0.01303919 -0.02467148 -0.00725299 -0.00251187 -0.00219671 +H 2.06628817 6.80717816 8.00379453 0.03732269 -0.00108049 -0.01764708 0.07964136 0.04358359 0.08454409 -0.01824954 0.00974503 0.03739702 +C 5.04232072 6.75068350 6.18240014 -0.00667888 0.00404116 -0.00649975 -0.01633515 0.04694019 -0.00613160 0.00290269 0.00751360 0.00268169 +H 4.42450883 7.49652006 8.17824884 -0.00202428 -0.01419630 -0.01103464 0.11452127 -0.04107164 0.02113464 0.01534669 -0.01096778 -0.01446510 +C 4.46301624 6.25436399 5.01417313 -0.00115642 -0.00083973 0.00232002 0.02642811 -0.00380400 -0.02238677 0.00665566 0.00117096 -0.00546598 +N 6.41691683 7.05995064 6.41404939 0.00793668 -0.00442645 -0.00397302 0.01155235 -0.03199906 -0.01848822 -0.00434608 -0.00481112 -0.00446849 +C 3.09157622 6.00477779 4.84451178 0.00887818 0.00044889 -0.00062671 0.05008862 -0.01093102 0.01311888 0.00234810 -0.00289417 0.00462369 +H 5.19323726 6.05022828 4.19886237 -0.00560492 0.01625079 -0.01415184 -0.13834781 0.09453539 -0.08242929 -0.00417733 0.00571066 -0.03066267 +C 7.49619429 6.99108574 5.64392015 0.00657515 0.00211551 -0.00511549 0.02739140 0.01331035 -0.03903941 -0.00109025 0.00188214 -0.00132809 +H 6.55029912 7.39541086 7.38619235 0.00029326 0.00721609 0.01174394 0.07002542 0.01009560 -0.11461120 0.02209882 0.00833755 -0.00332304 +O 7.53523308 6.54567093 4.46284855 -0.00257393 -0.00015701 0.00672075 -0.01504782 0.00131807 0.05097670 -0.00121757 -0.00031558 0.00497649 +C 8.72101010 7.59562551 6.28401762 -0.00522607 -0.00002840 0.00179113 -0.01313969 -0.00702931 0.01288698 0.00266024 -0.00251594 -0.00140920 +H 9.54200912 7.34108475 5.64790963 0.00649456 -0.00215690 -0.00197994 0.04932286 -0.05272550 0.09286880 -0.00139633 -0.00983557 0.03020459 +H 8.72399322 8.71231936 6.31859806 -0.00005467 -0.01072950 -0.03043481 -0.06582641 -0.04604440 -0.17162466 -0.01486127 0.01092830 -0.01203069 +H 8.81884914 7.22529750 7.32448134 -0.00187396 -0.00543974 0.02279819 0.01835479 0.03478660 -0.03414386 0.00431540 0.01171768 -0.00656928 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.93133953 5.82329003 5.70201115 0.00083634 -0.00068422 0.00434118 0.01748789 0.01244009 0.04700998 0.00308314 0.00148494 0.00756434 +C 2.26039357 6.17118326 5.91732853 0.00445440 0.00298533 -0.00448837 0.01983193 -0.02323032 -0.05675582 0.00053268 -0.00790118 -0.00929456 +H 0.79979283 5.00064809 5.28347713 -0.01558069 0.01107865 0.03370364 -0.08764642 -0.05267318 0.14665518 0.00108509 0.01277060 0.02429007 +C 2.67941147 7.14227197 6.82597123 -0.00156986 -0.00483413 -0.00292773 -0.00574114 -0.01170981 -0.00375468 0.00206213 0.00025104 -0.00123802 +H 2.92792915 4.51853712 4.63021445 0.00281025 -0.00764260 -0.00072266 0.02795132 0.01440344 -0.07807900 -0.00201384 -0.00196492 -0.03005154 +C 4.02164188 7.53186462 6.85370412 -0.00016884 0.00479849 -0.00089651 -0.01097446 0.04911804 0.01948320 -0.00434492 0.00534800 0.00381972 +H 2.01981897 7.59866986 7.58655991 0.00473099 0.01357932 0.01139691 -0.00931796 0.03609831 -0.12668959 -0.02553860 0.00597681 -0.02557361 +C 4.98271768 6.88374086 6.08695190 -0.00655269 0.00506302 0.00741645 -0.00984433 -0.00117925 0.01110438 0.00373566 -0.00396872 -0.00292014 +H 4.34794191 8.33737490 7.52463002 -0.00679117 0.02733614 0.02264211 -0.11959242 0.01092135 0.00296773 -0.01302914 0.00183449 -0.00254528 +C 4.58652483 5.75739819 5.25258894 -0.00037367 -0.00863329 -0.00507727 0.00904006 0.00569309 0.01090072 0.00364131 0.00793845 0.00539803 +N 6.31457428 7.39309545 6.17305706 -0.00142140 -0.00100703 0.00101172 -0.00249155 -0.01422092 0.01564647 0.00024381 -0.00253699 0.00365783 +C 3.24605823 5.41325724 5.19504249 -0.00009866 -0.00444941 -0.00963293 -0.02177769 -0.02554221 -0.05455127 -0.00281786 -0.00129857 -0.00517522 +H 5.34547496 5.23540171 4.71427499 -0.00743572 0.03981519 0.01460192 0.07945365 0.04673928 -0.07796043 -0.00010061 -0.01087242 -0.01363536 +C 7.54289024 6.89232016 5.77971498 0.00137635 0.00537261 0.00117493 -0.01725170 0.01284121 0.00575335 -0.00498129 -0.00332070 -0.00029074 +H 6.40443685 8.17602214 6.78002964 0.00948570 -0.00768195 0.02517534 0.03271839 -0.04372828 0.04434072 -0.00235397 -0.00404429 -0.01225097 +O 7.69864630 5.72354293 5.36908382 -0.00151510 -0.00576970 0.00027229 -0.01020625 -0.01162851 0.00807677 -0.00155168 0.00328308 0.00228847 +C 8.73740858 7.87816298 5.87930312 0.00184230 0.00018135 -0.00075815 0.01500572 -0.00410695 -0.01465825 0.00014105 -0.00041746 -0.00340154 +H 9.00178287 8.07389030 4.81606980 0.00175699 0.02662303 -0.01614132 0.05894771 0.10114904 0.09077903 0.01652099 0.00364971 0.01280030 +H 8.42947288 8.85260491 6.31682182 0.03659061 0.00552038 -0.00166327 0.20183772 -0.01230388 0.01931396 0.00966628 0.00006032 0.01367123 +H 9.58170089 7.42333578 6.49540067 0.01795348 0.00203538 0.00471742 -0.00659874 0.06167792 -0.13030263 0.01227169 -0.00768912 -0.01779308 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.86777816 5.73761303 5.81801694 0.00113573 0.00402965 -0.00402568 0.04671107 0.03377603 -0.02795366 0.00981359 0.00510373 -0.00401787 +C 2.25591277 6.07616321 5.78988308 0.00693782 -0.00233171 -0.00099204 -0.00358493 -0.00819636 -0.01631459 -0.00436651 -0.00081714 0.00035943 +H 0.61997571 5.53422191 6.73344613 -0.01223383 0.01028301 -0.02504369 -0.13944312 0.02872695 -0.09156072 -0.01701275 0.00064348 -0.00548637 +C 2.74578215 6.78893404 4.67786029 -0.00007428 -0.00492030 0.00940776 0.01889372 -0.02965709 0.03624796 0.00718010 -0.00176307 -0.00178811 +H 2.89027249 5.20152597 7.67008155 -0.02373132 -0.02009691 -0.00650619 -0.12652733 0.01660165 -0.07502057 -0.01331059 0.00528197 0.01783594 +C 4.09517701 7.13981103 4.60665079 0.00731755 -0.00337602 0.00072095 0.05552978 -0.01831686 -0.00335971 0.00470009 -0.00275103 -0.00065217 +H 2.15423260 6.98308155 3.81155764 0.01635613 0.00749978 -0.00889165 0.01940834 0.03023242 0.04360700 -0.00928926 -0.00134184 0.02441455 +C 5.07018560 6.89548636 5.61750147 -0.00301156 -0.00598943 0.00422381 -0.02528789 -0.02515573 0.01019538 -0.00192448 -0.00067428 -0.00092938 +H 4.42685376 7.58432539 3.65034479 -0.00476466 -0.00534647 0.00962108 0.01454652 0.04280287 0.04278141 0.01501652 0.02133373 -0.00884343 +C 4.54651998 6.22439532 6.71082317 -0.00389199 -0.00009701 -0.00527442 -0.04863090 -0.02147977 -0.00323291 -0.00732965 -0.00570390 0.00536145 +N 6.39787750 7.34293134 5.53796094 -0.00463662 0.00788683 0.00497177 -0.01972982 0.03513182 0.03654402 -0.00234111 0.00219238 0.00475511 +C 3.15956430 5.83797235 6.79448270 -0.00042408 0.00256617 0.00517905 0.00757747 -0.00949018 0.05296697 -0.00121340 -0.00355822 0.00435032 +H 5.18131801 5.92210525 7.54825518 -0.01934693 0.00398720 -0.01787291 -0.02700951 0.02132634 -0.01232779 0.01158380 0.00024684 0.01597434 +C 7.51533857 6.90454226 6.20763978 -0.00226847 -0.00234001 -0.00455801 -0.01295145 0.00060423 -0.03821407 -0.00030266 0.00218406 -0.00411740 +H 6.64600751 7.96406343 4.77495736 -0.00520785 0.00568525 0.01765698 -0.09097907 0.13076051 0.08795118 -0.01900948 0.02606298 0.01235351 +O 7.52548223 5.97868964 6.97306908 -0.00058541 -0.00029618 0.00044921 -0.00758829 -0.01258045 0.00909296 -0.00157019 -0.00229278 0.00100961 +C 8.84346881 7.64676196 6.00939631 0.00416089 0.00384788 -0.00439705 0.00799480 0.03826609 -0.04031568 -0.00244999 0.00566593 -0.00872404 +H 9.74250110 7.24254844 5.57272063 -0.00726297 -0.01764111 -0.01724821 -0.13061297 -0.22420016 -0.06372659 -0.03482946 -0.02873509 0.00681584 +H 8.59078578 8.46781472 5.37820002 0.00532739 -0.00220033 -0.00281447 0.06024878 0.05447632 -0.11190799 0.01632191 0.00357932 -0.01519817 +H 9.10462386 8.18659671 6.92611754 0.00234563 -0.00040320 -0.01257946 0.07904359 -0.05041259 -0.00410045 0.02021786 -0.01376555 0.00696563 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01243555 5.75404892 5.83598466 0.00081427 0.00016535 0.00045389 -0.01325504 0.01119634 0.00649920 -0.00454790 0.00154602 0.00079325 +C 2.31276780 6.14155270 5.90089204 -0.00343952 0.00512721 0.00025111 -0.01147535 -0.00882308 -0.01176232 -0.00036511 -0.00524533 -0.00258071 +H 0.71750417 4.93634597 5.55854842 -0.00927803 -0.00636956 -0.00112722 0.08883904 -0.03051936 -0.00501612 0.03426784 0.01275954 0.00511966 +C 2.68229568 7.45071765 6.22357588 -0.00158274 -0.00067598 -0.00118839 -0.03629312 0.00310088 0.00773698 -0.00485978 -0.00068884 0.00198779 +H 3.01318695 4.14340801 5.42942462 -0.00052535 0.02062757 -0.00149690 -0.00147679 -0.01737672 -0.07444266 0.01159747 0.01490293 -0.00621600 +C 3.98567878 7.87355772 6.36894767 0.00315919 -0.00303355 -0.00049678 0.02291079 -0.04552546 -0.02519387 -0.00061132 -0.00562349 -0.00474306 +H 1.81845800 8.11891438 6.49888506 0.00274993 -0.02320206 -0.01520087 0.00095959 0.00492926 -0.09930400 -0.02205488 0.04008591 -0.00322053 +C 4.97047639 6.93017618 5.99313987 -0.00800881 0.00216701 -0.00212874 -0.02049746 0.00912273 -0.00784684 0.00562500 -0.00086403 -0.00063954 +H 4.36605812 8.85730197 6.60603917 0.00868842 -0.03826471 -0.00649101 -0.05250598 0.00535689 0.05857413 -0.02310610 0.01672641 0.01301615 +C 4.59376247 5.58442069 5.68402848 -0.00173950 0.00681932 0.00673799 0.03321929 0.01395534 0.01918857 0.00819285 -0.00180352 -0.00072066 +N 6.28012703 7.42013624 6.04226066 0.00159741 -0.00055851 0.00023257 -0.00534861 -0.00672421 -0.00130858 -0.00349717 -0.00188658 -0.00065026 +C 3.27208444 5.13931449 5.62023020 0.00435806 -0.00063671 0.00207587 0.01801395 0.04189989 0.03055955 0.00035411 0.00750781 0.00484584 +H 5.34382139 4.89325575 5.39800630 0.02700844 -0.03485843 -0.02038478 -0.02832902 0.01456033 0.02949294 -0.01595580 0.02516119 0.02220563 +C 7.49569959 6.89541696 5.79471801 -0.00541093 -0.00839212 0.00080568 -0.02842824 -0.06695915 -0.00671955 -0.00090006 -0.00478202 -0.00046333 +H 6.27905688 8.38679294 6.29353397 -0.00469430 0.00322607 0.00054182 0.06231879 -0.00915970 0.03106974 0.01991192 -0.01041143 0.00660284 +O 7.71042323 5.73581545 5.31390120 0.00624375 0.00473739 -0.00285451 0.03151376 0.04288551 -0.01502439 0.00266592 0.00446525 -0.00263313 +C 8.67412342 7.72329604 6.19838591 -0.00234480 -0.00098886 0.00149956 0.00722413 -0.00971926 0.00498563 0.00110883 -0.00311509 0.00176042 +H 9.61414344 7.24670008 5.83090400 0.00705035 0.00749091 0.01789248 -0.00873740 0.01404900 0.08008012 0.00936023 -0.01138701 -0.00279515 +H 8.81527913 8.77564334 5.91823248 0.01723286 0.00601979 -0.01026851 -0.08273377 -0.04167643 -0.04714419 -0.03581079 -0.00737929 -0.00560778 +H 8.74523718 7.57160699 7.26656340 -0.00361220 -0.00932828 -0.01863269 -0.01119745 0.04495645 0.04973026 -0.00155718 0.02448802 0.01572590 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04236071 5.70672758 5.98812000 -0.00420563 0.00294004 0.00050335 -0.03524686 0.02058670 -0.00157301 -0.00434675 0.00497995 -0.00046201 +C 2.30090699 6.20336749 5.86516621 0.00201298 0.00189840 0.00273425 0.01042649 -0.02590689 0.01508363 -0.00086561 -0.00664948 0.00252621 +H 0.85498983 4.83347804 5.67070418 -0.00563751 -0.02025731 -0.00832412 0.05031417 0.04212042 0.00733017 0.01002389 -0.00310279 -0.00123802 +C 2.63673353 7.49467514 6.16524495 0.00028055 0.00583993 -0.00330836 -0.00788272 0.01969869 -0.01668495 -0.00365639 -0.00059115 -0.00157691 +H 3.04965214 4.21968908 5.42958219 0.00404556 0.02000613 -0.01600320 -0.00366567 0.03160340 -0.16252254 -0.00593425 -0.00754277 -0.02011265 +C 3.97437763 7.78925350 6.23338694 -0.01029971 0.00036621 -0.00192457 -0.00489557 0.01470683 -0.00711386 0.01143429 0.00189638 0.00046788 +H 1.91267859 8.21138436 6.55664371 0.02177589 -0.02621653 -0.00986595 -0.07245999 0.03108936 -0.07734357 -0.02937293 0.02520293 -0.01460508 +C 5.01345115 6.86335127 6.00809926 0.00927318 -0.00957469 0.00167499 0.03490531 -0.02303059 0.01750869 -0.00402904 0.00243798 0.00246620 +H 4.19118148 8.81973384 6.48140281 0.02751884 -0.01262973 0.02005422 0.13518199 -0.08426845 0.14789150 0.00158540 -0.00402898 0.01746295 +C 4.70583590 5.57718973 5.62921839 -0.00044398 -0.00356523 -0.00789634 -0.01488340 -0.04253498 -0.06362627 -0.00277477 -0.00427281 -0.00750097 +N 6.30247896 7.34793281 6.25365633 -0.00252184 0.00071466 0.00546396 -0.01777160 -0.00604556 0.03907690 -0.00009523 -0.00100524 0.00611681 +C 3.32715832 5.26309874 5.56699336 -0.00125506 -0.00028147 0.00717436 -0.00672058 -0.00749316 0.04622335 -0.00041550 -0.00382958 0.00387089 +H 5.40189180 4.78595817 5.31424347 0.01278730 -0.01012206 -0.00732257 0.03853774 0.03278814 0.05272251 0.00641528 -0.00129093 0.00924173 +C 7.47843344 6.83839710 5.88824857 -0.00337476 0.00341338 0.00506110 -0.02376335 0.01629615 -0.00030328 -0.00170370 0.00021556 -0.00559508 +H 6.25228679 8.18821614 6.79027628 0.01270193 0.00110336 -0.01417539 0.14602260 0.07948860 -0.05934761 0.01562199 0.00155402 -0.01019942 +O 7.56635780 5.87665746 5.11111897 0.00640844 -0.00077251 -0.00309301 0.04761933 0.00534505 -0.00430303 0.00649311 0.00276397 0.00228563 +C 8.67812691 7.68679627 6.22866801 0.00188644 0.00374534 -0.00331305 0.00848187 0.01205666 -0.02744416 -0.00012271 -0.00073640 -0.00504760 +H 8.61871427 8.28666331 7.16969201 -0.00010570 -0.00879143 -0.02039877 -0.02207708 -0.04909617 -0.01866062 -0.00844485 0.00436789 0.02077912 +H 9.50799621 6.99736107 6.19797906 -0.01903647 -0.00988630 0.01842974 -0.00541503 -0.03640073 0.16614288 0.00941909 0.01102032 0.01564660 +H 8.90269011 8.37182211 5.42812913 -0.03108795 0.00051306 0.00037115 -0.16424846 0.05652898 -0.07273924 -0.00663653 0.00225899 -0.00712161 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96187584 5.78364077 5.89690762 -0.00169402 -0.00061673 0.00440780 -0.01806676 -0.00268877 0.02889813 -0.00333746 -0.00069913 0.00383502 +C 2.26564093 6.09288208 5.88804572 -0.00360262 0.00730961 -0.00049669 -0.00942606 0.05787177 0.00661258 0.00164926 0.00387227 0.00080345 +H 0.83994602 4.84035952 5.76127601 -0.00521585 0.02006351 0.01496450 -0.07623385 -0.01790765 0.07983309 -0.00952271 -0.00749496 0.00915780 +C 2.58259066 7.44767225 6.23487239 -0.00856427 -0.00040552 -0.00304567 -0.00724166 -0.00674019 -0.03175417 0.00270933 0.00279430 -0.00481173 +H 2.93616160 4.23289571 5.16117198 0.00567472 -0.01566034 -0.00643489 0.17087879 -0.03111799 0.12579277 0.03295545 0.00016691 0.03363722 +C 3.97517061 7.85671386 6.19525744 -0.00228370 -0.00920631 -0.00166619 -0.05048700 -0.06276672 0.00370142 -0.00647473 -0.00479263 0.00271858 +H 1.84485438 8.14703410 6.50683140 0.01786193 0.01046735 -0.01034613 -0.01404417 0.10284953 -0.10019230 0.00057792 -0.00828351 -0.02364259 +C 4.98951565 6.89699083 6.07480622 0.00182100 -0.00109099 0.00566352 0.03239730 -0.03024925 0.00959798 0.00373422 -0.00672863 -0.00302748 +H 4.13709890 8.85489697 6.36271395 0.00202235 0.00145766 -0.01828437 0.06274926 0.00191972 -0.06441824 -0.00023795 -0.03880079 -0.00266104 +C 4.66432501 5.55452187 5.68869799 0.00204513 0.00080865 -0.00894144 0.00233757 0.01416771 -0.04202106 0.00148982 0.00200508 -0.00293923 +N 6.33595854 7.34349244 6.22116975 0.00140594 -0.00512444 0.00077276 -0.01800752 -0.00428098 0.02789888 -0.00436237 0.00214428 0.00625471 +C 3.27081212 5.16016656 5.60690293 0.00886153 0.00447537 -0.00115383 0.05194233 0.03696332 -0.02778491 0.00272479 0.00756903 -0.00532014 +H 5.45824855 4.86275022 5.50497046 -0.00463428 -0.01252655 0.00717858 -0.05633205 -0.08290598 -0.00505592 -0.01469675 0.00055968 -0.00772308 +C 7.51390328 6.90024305 5.81190122 0.00519155 -0.00221600 0.00919312 0.03117985 -0.00871466 0.06560831 0.00066212 -0.00205740 0.00727499 +H 6.36675324 8.20760077 6.73338712 -0.03549522 0.02061109 0.00761179 -0.10868258 -0.01318471 -0.04269528 0.00780156 -0.00126426 -0.00607030 +O 7.64587839 5.93874688 5.13759822 -0.00150260 0.00142697 -0.00090645 -0.00816604 -0.01173433 -0.01867298 -0.00059433 -0.00342427 -0.00314559 +C 8.79654016 7.64816970 6.21571823 -0.00420943 0.00270135 -0.00163933 -0.01678971 0.01151428 -0.01302136 0.00387647 0.00398774 -0.00278778 +H 9.11000170 7.39491914 7.21664075 0.02491403 -0.00059739 -0.01289089 0.09705077 0.02738532 -0.02879257 -0.00260853 0.00933505 -0.00333882 +H 9.54455817 7.24388914 5.60633794 0.00859303 -0.00120014 -0.00850100 0.04293424 0.06879138 -0.07232514 -0.02027787 0.02201114 0.00391375 +H 8.67737497 8.67733599 6.10083583 0.02630615 0.00741950 -0.01474727 0.14418202 0.08904335 -0.09583621 0.00545194 -0.01981545 -0.00474025 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01535575 5.87193722 5.75180235 0.00787483 -0.00089291 0.00344996 0.03106648 -0.00916017 0.02750026 -0.00147838 -0.00246507 0.00126093 +C 2.32737210 6.07055591 5.95406414 -0.00402329 -0.00623587 -0.00823967 -0.00962932 -0.03784878 -0.05030211 0.00432173 -0.00186395 -0.00130096 +H 0.85919454 5.75088350 4.85441898 -0.00792804 0.00266024 0.02382962 -0.10934453 -0.01845987 0.01872920 -0.00908122 -0.00128036 0.02631632 +C 2.75670711 6.54249491 7.15566343 -0.00052506 0.00322981 0.00232296 0.01892132 0.03746789 0.03361677 0.00142455 0.00574274 0.00394672 +H 2.97332103 5.35879637 3.94768534 -0.01135254 -0.01426759 -0.02976347 -0.09436246 0.00257608 0.01720096 -0.01760309 0.00558234 0.00851387 +C 4.17611813 6.80890156 7.37731239 -0.00095527 0.00040622 -0.00141774 -0.04178303 -0.00025868 -0.01482551 -0.00661238 0.00119856 -0.00161809 +H 2.04735474 6.74875887 7.88140062 -0.00492589 0.03579356 0.02954021 0.07103493 0.14577543 0.09813565 0.03384126 -0.00258919 -0.01843698 +C 5.05807627 6.60804652 6.27480978 -0.00141693 -0.00097066 -0.00144147 0.01206792 0.01406506 0.03292060 0.00226404 0.00272191 0.00746546 +H 4.40680930 7.14925625 8.35953384 -0.00431760 0.01578654 0.01413395 0.05327621 0.09172939 -0.07555985 0.01160383 0.00589678 -0.03520882 +C 4.56712603 6.06470762 5.11350925 -0.00782761 -0.00248577 -0.00137539 -0.02293124 -0.02356995 -0.02743701 0.00146166 -0.00312213 -0.00368902 +N 6.41016268 7.00767048 6.48923830 0.00760174 -0.00461072 0.00354283 0.01495488 -0.04410747 0.03373591 -0.00178585 -0.00736988 0.00443723 +C 3.22452471 5.77453414 4.92122378 -0.00292062 0.00510856 -0.00752678 -0.02954510 0.02304137 -0.07277892 -0.00525030 0.00183158 -0.01069748 +H 5.29788196 5.83952121 4.33456296 -0.00390455 -0.02393455 0.00757717 -0.08575765 -0.13840858 -0.00984474 -0.00699408 -0.01390065 -0.01737652 +C 7.38787046 7.14876768 5.59742110 -0.00534727 0.00104169 0.00042733 0.00496984 0.01196251 0.00284270 0.00633063 0.00192866 0.00206780 +H 6.58586608 7.18652604 7.45054898 0.02248915 0.00349287 0.03064041 0.16258157 -0.01580086 -0.03466198 0.01754852 -0.00787133 -0.02313398 +O 7.34095149 7.06550210 4.35324589 0.00115567 0.00165572 0.00438583 -0.00676143 0.00905168 0.03700647 -0.00325137 0.00087705 0.00497717 +C 8.75671086 7.45132685 6.18949659 0.00270758 0.00214638 -0.00366952 0.01981358 0.02126757 -0.02383184 0.00346901 0.00258576 -0.00527631 +H 9.43620686 6.91643032 5.59139557 0.01190867 -0.00343486 -0.01337271 0.10315782 -0.04523890 0.04319076 -0.00191215 0.00316649 0.03769672 +H 8.97222268 8.50302122 5.96032336 0.00170745 -0.00791862 -0.01275799 0.01674244 0.00376169 -0.08246795 0.00453838 0.01111423 -0.00896751 +H 8.95377789 7.35504731 7.26429207 -0.01065285 0.01708961 0.02585129 -0.13757738 0.03906404 -0.03992204 -0.02033761 -0.00385072 -0.02161870 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98469284 5.75205346 5.75969302 0.00161008 -0.00252024 0.00305038 0.01805535 -0.00649601 0.02742910 0.00064278 -0.00151359 0.00368374 +C 2.32854663 6.11328387 5.89489457 -0.00761001 -0.00323578 -0.00221197 -0.04883989 -0.04062059 -0.00564149 -0.00086240 -0.00515272 0.00176700 +H 0.94685970 4.96223806 5.23120763 -0.01496569 0.01217858 0.02482472 -0.15096136 -0.05854543 0.09793837 -0.01765073 -0.00215605 0.01818593 +C 2.68058971 7.32053080 6.46838612 0.00253281 0.00123384 0.00118204 -0.00992861 0.03919090 0.01686820 -0.00414941 0.00473228 0.00038359 +H 3.14744701 4.20397020 5.07265178 0.00754025 0.00844678 -0.02235060 -0.02846965 0.00980733 -0.05454657 -0.01501678 -0.02144078 0.00067247 +C 4.00716111 7.84065440 6.46455846 -0.00410342 0.00673145 0.00117419 -0.02479525 0.03854302 0.00406016 -0.00298880 -0.00060317 -0.00174096 +H 1.86601750 7.92395791 6.91754175 -0.01367489 0.02271082 0.00328607 0.06263745 0.06861884 -0.10650663 -0.00005537 0.01809239 -0.01502122 +C 5.01783038 6.97437505 5.98746252 -0.00045899 -0.00207400 -0.00089288 -0.00800893 0.01209969 0.00003027 -0.00181314 0.00628108 0.00104363 +H 4.22967594 8.87662591 6.81023885 -0.01042165 0.04717850 0.00870309 -0.11810203 -0.03970516 -0.02883589 -0.00945619 -0.01092692 -0.00235940 +C 4.62574445 5.62531774 5.61304219 -0.00026079 0.00175396 -0.00486280 0.03105809 0.01804154 -0.03142178 0.00647976 0.00096832 -0.00356535 +N 6.32603084 7.54029176 5.95976603 0.00213572 0.00394566 0.00083520 -0.00030215 -0.01185102 0.01237772 -0.00148175 -0.00567146 0.00311539 +C 3.31538066 5.18909528 5.55787537 -0.00027106 -0.00834321 -0.00570852 -0.00410564 -0.03033010 -0.05307347 -0.00052326 0.00283582 -0.00823669 +H 5.38395142 4.97030247 5.25699424 0.00108478 -0.02559893 0.02709972 -0.02463269 -0.13160609 0.15070446 -0.00600019 0.00287484 0.01208454 +C 7.45654825 6.86373884 5.85668126 0.00558145 -0.00157567 0.00072225 0.03165105 0.00480340 -0.01927185 0.00201207 0.00450127 -0.00509094 +H 6.48954746 8.52593948 6.16296158 0.00572488 -0.02532983 0.00028571 -0.04247847 0.01370181 0.06200257 -0.01738355 0.00955765 0.01203726 +O 7.54747535 5.72436707 5.40021122 -0.00001370 0.00531992 0.00281481 0.00486199 0.02575424 0.02316325 0.00157776 0.00078465 0.00320036 +C 8.70468031 7.66685900 6.09000018 0.00352223 -0.00420452 -0.00201064 0.03545986 -0.01834031 -0.00038907 0.00553050 -0.00116290 0.00296962 +H 8.68643018 8.22283113 7.00166733 0.01021090 -0.00924528 -0.01082361 0.00457793 -0.07034941 0.07991373 -0.00468352 -0.01502851 0.01212661 +H 9.60204512 7.02135101 6.15553231 -0.02708970 0.00193901 0.00206320 -0.03658313 -0.11396817 0.00027503 0.01955595 -0.02911349 -0.00348028 +H 8.97132717 8.48892707 5.40529897 -0.00070128 -0.01579638 0.01244986 -0.05521550 -0.09761886 -0.11737114 -0.00787738 -0.00923380 -0.03821189 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00528572 5.90675846 5.74647400 0.00531345 0.00294514 -0.00372495 0.02860570 0.01029240 -0.02966543 0.00344536 -0.00082613 -0.00633102 +C 2.35899121 5.93562492 5.74010757 0.00487324 -0.00073089 -0.00162149 0.01388172 0.00392168 0.00758943 -0.00092516 0.00212532 0.00347533 +H 0.61208786 6.37993581 6.50823369 -0.00096044 -0.01435917 0.01123882 0.02822244 -0.12519076 -0.00311117 -0.00590539 -0.00473836 0.01772456 +C 3.17832176 4.91168258 5.26069444 -0.00766457 -0.00219289 0.00250694 -0.04023397 -0.01065517 -0.01062351 -0.00208991 -0.00059717 -0.00441055 +H 2.15259398 7.77957050 6.73231533 0.03020774 -0.00068773 0.00439266 0.21656340 0.06315792 0.09168207 0.01820590 0.01727879 0.01860821 +C 4.58158688 5.07060996 5.30178328 -0.00339951 -0.00142656 -0.00609621 -0.02068557 -0.01452462 -0.03258046 -0.00319443 -0.00058832 -0.00139988 +H 2.70626579 4.15179889 4.60931452 -0.02211276 0.00431528 0.01261274 -0.09528490 -0.09092279 0.21610183 -0.00945790 -0.03803102 0.03513291 +C 5.15402941 6.26896770 5.79905777 -0.00576742 -0.00480187 0.00049005 -0.01747676 -0.02293676 0.03299954 -0.00018052 -0.00166425 0.00831209 +H 5.20608000 4.23538407 4.93411590 0.02378548 -0.00132719 0.03545237 0.07679192 0.06072683 0.14481361 0.00316498 -0.00191800 -0.00563396 +C 4.32430532 7.20161178 6.45727730 0.00288849 0.00387037 0.00447377 -0.01796204 0.01317019 0.00189367 -0.00423580 0.00080502 -0.00337824 +N 6.55807614 6.44143614 5.87312540 -0.00279248 -0.00068065 0.00683093 -0.03038117 -0.00931564 0.04240130 -0.00534028 0.00023227 0.00518122 +C 2.88785513 7.03438187 6.38615141 0.00194265 -0.00347749 -0.00099107 0.05611959 -0.00591948 -0.00022974 0.01209464 0.00201712 0.00116346 +H 4.72981307 8.09963519 6.85507122 -0.00145666 -0.00067536 -0.01251946 -0.01546517 0.05630267 0.03172137 -0.01177127 -0.00467033 0.01207000 +C 7.32578193 7.51324262 6.12850059 -0.00442880 0.00486426 -0.00557671 -0.02802632 0.03274289 -0.04963237 -0.00221428 0.00088473 -0.00795812 +H 7.12162149 5.60797177 5.64490746 0.01738344 0.02005858 -0.00552254 0.03287195 0.10007041 -0.02947699 -0.00211193 -0.01028121 -0.00614003 +O 6.94365468 8.69844385 6.26411856 0.00130247 -0.00184488 0.00078608 0.00565700 -0.01852639 0.00996378 -0.00040129 -0.00167479 0.00205641 +C 8.78432325 7.23407599 5.92948633 0.00372379 0.00208513 -0.00242323 0.01176020 0.01205363 -0.00904047 0.00050460 0.00218787 -0.00256688 +H 9.32786149 7.03781288 6.84569104 0.00411795 -0.01953097 -0.00631375 0.01656254 -0.08197139 -0.01985942 -0.00569870 -0.00459703 -0.00251989 +H 8.83169941 6.36627514 5.31320829 -0.01486324 0.02173094 -0.00448808 0.02987549 0.03074645 -0.13529749 0.02121053 0.01102878 -0.01750708 +H 9.17433971 8.03005517 5.34070587 -0.00898098 0.00403707 0.02694778 0.09609631 0.15365338 0.13738733 0.02112555 0.01078754 0.02469768 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03763946 5.69412879 5.58857141 -0.00151808 0.00235102 -0.00054416 -0.00168660 0.02345903 0.00011109 0.00123739 0.00182877 0.00020090 +C 2.31926900 6.11439952 5.84091616 0.00111838 -0.00047815 -0.00247129 0.00821478 0.01916414 -0.00541155 -0.00114667 0.00488925 0.00016835 +H 1.00482696 4.81042157 5.36684094 0.00437624 0.00523704 0.02006712 -0.00979026 -0.03481308 0.10915782 -0.00595777 0.02460828 0.01808854 +C 2.63523842 7.45470254 6.17933323 -0.00234910 -0.00169505 0.00046221 -0.02659726 -0.00758091 -0.00947708 -0.00636378 0.00439698 -0.00198689 +H 3.06490703 4.23600467 5.47137536 0.01677904 0.01703732 0.00922582 0.18013211 -0.04535531 0.08575694 0.01955408 -0.03029221 0.01285810 +C 3.97160595 7.88527956 6.34606236 -0.00471510 -0.00796612 0.00051655 -0.00198783 -0.06057739 0.02037565 0.00549358 -0.01023123 0.00451910 +H 1.83673102 8.07376328 6.17380298 0.00483752 0.02025556 0.00401551 0.01331828 0.18476829 0.08284354 0.03112892 -0.01162082 0.01392536 +C 5.01485573 6.93445279 6.27440968 0.01073575 -0.00518633 -0.00825002 0.05782943 -0.02718785 -0.06627004 0.00127240 -0.00139030 -0.00987715 +H 4.20890635 8.90422651 6.59355724 0.03440116 -0.00565318 0.02208182 0.07565657 -0.11086061 0.06949207 -0.01699610 -0.01746972 -0.00051304 +C 4.71623121 5.58720708 5.92530639 0.00221609 -0.00484152 -0.00541169 0.02294469 -0.01269912 -0.01760120 0.00624678 -0.00045247 0.00061994 +N 6.35433968 7.37788870 6.41311114 -0.00410045 0.00506625 -0.00009277 -0.02252402 0.02001074 -0.01043104 -0.00036425 0.00063024 -0.00298631 +C 3.39613773 5.23155770 5.78624982 0.00035931 0.00644628 0.00389360 -0.01975188 0.01293874 0.00402939 -0.00237530 -0.00345882 -0.00240305 +H 5.38906301 4.79460936 5.78061765 0.01568058 0.01020412 0.02707824 0.17646874 0.03513940 0.15103835 0.00072890 0.01403544 0.01205980 +C 7.42199120 6.88410854 5.73995902 0.00138238 -0.00056044 0.00410794 -0.00080503 0.00838347 0.04975899 -0.00212964 0.00021246 0.00768427 +H 6.52248766 8.14072713 7.06414228 -0.00547814 0.01141822 -0.00789147 -0.05588441 0.08551458 -0.10327045 -0.01134511 0.01621983 -0.01619884 +O 7.44939809 5.92754091 4.99984796 -0.00643207 -0.00281154 -0.00132402 -0.05000359 -0.02055923 -0.01197006 -0.00702559 -0.00118908 -0.00059944 +C 8.71627435 7.59605895 6.01942550 0.00094061 0.00324587 0.00447452 0.00349868 0.00391596 0.02614837 0.00219210 -0.00073399 -0.00046669 +H 8.94233497 7.58612119 7.11659452 0.01528301 0.02472838 -0.00506932 0.10561722 0.17308020 -0.04881400 0.01497479 0.01812746 0.00889418 +H 9.34141791 6.91373646 5.52302352 -0.00888268 -0.00565147 -0.01481147 0.13611519 0.10245824 -0.04750871 0.02193236 0.04485930 0.01665048 +H 8.67702447 8.56904985 5.56433861 -0.00927571 -0.00917133 0.00815699 -0.00471050 0.04432593 0.01597743 0.00490671 0.00326827 0.00281670 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01027214 5.88237821 5.76483694 0.00054653 0.00455047 0.00305436 -0.01841988 0.02714397 0.02007791 -0.00701093 0.00048892 0.00316952 +C 2.30548117 6.13888903 5.90037519 -0.00393068 -0.00501614 -0.00121700 -0.01918602 -0.01008733 0.00073026 0.00187757 -0.00012430 0.00067313 +H 0.84314699 4.99285353 5.90759687 -0.01250490 0.02443696 0.01624816 -0.12609916 0.02672490 0.10363550 -0.01041796 0.02578976 0.00486817 +C 2.62616388 7.46449804 6.27514839 0.00167741 -0.00798170 -0.00271474 0.02173657 -0.03861454 -0.02423391 0.00276006 -0.00157094 -0.00334986 +H 3.16015633 4.19976615 5.28044241 -0.01090835 -0.00848236 -0.01920984 -0.19560200 -0.02666441 -0.02894628 -0.02603989 0.01378200 0.01491414 +C 4.01432682 7.78251118 6.30723022 -0.00376908 0.00652231 0.00048025 -0.03534278 0.04812833 0.01802449 -0.00300176 0.00398735 0.00282291 +H 1.90896962 8.21573659 6.45665863 -0.01194532 0.02618771 0.00050901 0.02326950 -0.04973494 -0.00844139 0.01633985 -0.03916443 -0.00468512 +C 4.99578459 6.87627080 5.99123910 0.00554778 0.00044335 0.00307300 0.02237953 -0.00719654 0.01755020 -0.00197284 0.00064450 0.00278020 +H 4.29953828 8.74162256 6.72378595 -0.00544559 0.01359173 -0.00650661 -0.07641534 0.10433800 -0.11975449 -0.01559614 0.01670502 -0.02186001 +C 4.60987957 5.58017726 5.57926682 0.00666634 -0.00196561 -0.00358201 0.04840476 -0.01124263 -0.00167951 0.00765101 -0.00438976 0.00259964 +N 6.29750832 7.31140088 6.13632600 -0.00315426 0.00705067 0.00181954 -0.01700678 0.05156504 0.01160461 0.00183819 0.00722978 0.00134857 +C 3.26379833 5.18587542 5.64334625 0.00166602 -0.00453716 -0.00153538 0.03446953 -0.03735719 -0.03841930 0.00467470 -0.00484541 -0.00893628 +H 5.37906802 4.89713244 5.34128961 -0.00778319 -0.01150961 0.01621038 0.00755460 -0.13933005 0.03491472 -0.00316517 -0.00283739 -0.00203828 +C 7.48746843 6.81504777 5.90873088 0.00342505 0.00574561 -0.00012991 0.02458301 0.01616776 -0.02007747 0.00078715 -0.00347906 -0.00584486 +H 6.29392765 8.28875202 6.37431291 0.01502851 -0.00498137 0.00691881 0.10628684 0.04210582 0.08616388 0.00455297 0.00660897 0.01346608 +O 7.80266928 5.70486099 5.52609475 -0.00208313 -0.01076993 -0.00371896 -0.02661200 -0.06653153 -0.01828450 -0.00548561 -0.00583689 -0.00094328 +C 8.56536273 7.84493560 5.95738639 -0.00087776 0.00309501 0.00108973 0.00337661 0.02004003 0.02430065 0.00301659 0.00624282 0.00422190 +H 9.03967535 7.80215062 4.99498199 -0.00937980 0.00705600 0.03701084 0.09396035 0.07149383 -0.01064163 0.02016744 0.00974609 -0.01065446 +H 8.23725141 8.80350700 6.13409252 -0.00788892 0.00564946 -0.01484676 -0.06388105 0.11897211 -0.03886691 0.00617116 -0.01704652 0.00098172 +H 9.30085151 7.55167507 6.68021206 -0.00493643 -0.00718756 0.00298048 -0.01459318 0.00096142 0.07586227 -0.00738853 0.01295551 0.01090741 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.87328858 5.80893621 5.73753398 -0.00405973 0.00210355 -0.00131287 -0.01567187 0.01770731 -0.00389386 0.00019134 0.00254650 0.00080555 +C 2.21269460 6.16872584 5.81152761 -0.00330436 0.00244231 0.00604912 0.00019704 -0.00806770 0.04541282 0.00144830 -0.00396064 0.00562506 +H 0.58052058 5.13227479 6.28101112 0.00069943 -0.01024863 0.00995989 0.06055830 -0.01101471 0.00008912 0.01374328 0.01033693 -0.01355018 +C 2.68162950 7.43313372 5.37649480 -0.00312600 -0.00294707 -0.00333187 -0.02099371 -0.02194446 -0.02997743 -0.00172572 -0.00154210 -0.00475631 +H 2.87576486 4.29673403 6.61166868 -0.02485880 -0.00961141 -0.00719165 -0.05572440 -0.08882093 -0.05271051 0.01586926 0.00347109 -0.00977298 +C 4.04613342 7.75674244 5.45318360 0.00020028 0.00613575 -0.00533955 -0.02365656 0.02435864 -0.04263989 -0.00557050 0.00068078 -0.00658528 +H 1.99834361 8.05639931 4.84511263 0.01904254 0.02853877 -0.00979211 0.08020444 0.15374236 0.05571861 -0.00015578 -0.00104505 0.02653004 +C 5.01388472 6.84108265 5.87860480 -0.00282712 -0.00162789 -0.00000526 0.01504495 0.02928991 -0.00042556 0.00348046 0.00719866 -0.00007509 +H 4.28297126 8.72257535 5.03920290 -0.02606121 -0.00688241 -0.00617883 -0.03656512 0.06500748 -0.04045348 0.01198587 0.01051053 0.00065306 +C 4.60150771 5.57472504 6.31752222 -0.00040516 -0.00513519 -0.00056156 -0.02792284 -0.03217103 -0.01441211 -0.00516530 -0.00493996 -0.00246626 +N 6.34005573 7.43931171 5.84843828 0.00440506 -0.00310337 -0.00018177 -0.01063741 -0.03610009 0.00039419 -0.00467209 -0.00539253 0.00028876 +C 3.22188449 5.22978863 6.26439668 0.00008704 -0.00796541 0.00496330 -0.03489031 -0.02630968 0.02986234 -0.00987354 -0.00093044 0.00345169 +H 5.29081223 4.83035939 6.63045917 -0.05304649 -0.00676344 -0.00831452 -0.08030664 -0.16056169 0.04297372 0.01149929 -0.00516867 0.00478851 +C 7.53672548 6.87275862 6.02688562 -0.00224293 0.00488457 0.00403218 0.02349218 0.01788761 0.03584475 0.00805829 0.00103993 0.00508204 +H 6.28708813 8.41784798 5.66789461 0.00369388 0.00209869 -0.00506696 0.10705645 -0.03935672 -0.04606316 0.01830324 -0.01827520 -0.00678207 +O 7.70631382 5.68225608 6.34962727 0.00800703 0.00569873 -0.00398356 0.04956477 0.04529321 -0.02962739 0.00623140 0.00593400 -0.00391814 +C 8.79516449 7.77171606 5.84175076 0.00867703 -0.00396063 0.00480050 0.03624603 -0.00234486 0.01232953 0.00065744 0.00244523 0.00174881 +H 9.20741742 7.71485697 4.81063033 -0.01317264 0.01802622 -0.01554122 -0.08990736 0.01231507 0.01920326 -0.00015449 -0.01422973 0.00149581 +H 8.51869174 8.81455785 5.87782944 -0.00331509 0.00873757 0.00029294 -0.01939504 -0.02809565 0.07061142 0.00349672 -0.01265417 0.02195747 +H 9.61952637 7.73028516 6.53408609 0.00820090 -0.00721590 0.00203513 0.03100261 -0.17152854 0.04830405 -0.00805286 -0.03251296 -0.00405445 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.12264142 5.58071958 5.87157416 -0.00043734 0.00221176 -0.00006057 -0.01656035 0.01901677 -0.00961970 -0.00436340 0.00069844 -0.00105243 +C 2.34362712 6.12228730 5.76366017 -0.00820619 0.00371826 0.00142427 -0.02996524 0.04769296 0.00447200 -0.00166021 0.00847297 0.00052997 +H 1.21611429 4.80971595 6.36694098 -0.00214421 0.01660462 -0.01329566 -0.07340686 -0.02646649 0.01369258 -0.01968443 0.01780917 -0.00910576 +C 2.76940082 6.83839553 4.59414253 -0.00649194 -0.00396476 0.00093673 -0.03852617 -0.03808375 0.01816196 -0.00036335 -0.00608298 0.00517090 +H 2.86216928 5.43337423 7.77007050 -0.01290533 -0.01721376 -0.00857645 -0.01883921 -0.01152005 -0.13731962 -0.00474126 -0.00422344 0.00211766 +C 4.11230966 7.23933750 4.56139179 0.00183453 -0.01063671 0.00244115 0.01615430 -0.08083586 0.01842643 0.00127151 -0.01090594 0.00083144 +H 2.11073586 6.98676882 3.70325693 -0.00827298 -0.01141715 -0.00721634 -0.00817977 -0.08194930 0.06972180 -0.01300875 -0.00630668 0.00035287 +C 5.02678109 6.93080273 5.61230271 0.00287922 0.00307374 0.00235716 0.02318632 0.01335455 0.02150269 0.00292217 0.00075413 0.00239000 +H 4.54140035 7.62712392 3.65893968 -0.00081382 -0.01258468 0.01867005 -0.02847974 0.00812732 0.00085485 -0.01033956 0.00382574 -0.00425077 +C 4.53430284 6.31511627 6.82626926 -0.00018717 -0.00523117 0.00197476 0.02330184 -0.00497938 -0.03269526 0.00712810 0.00181656 -0.00580092 +N 6.39717112 7.26313814 5.38785088 0.00344750 0.00339933 0.00019628 -0.00770393 0.02504338 0.02010130 -0.00210510 0.00371571 0.00636393 +C 3.22482587 5.96567695 6.86669315 0.00181722 0.00534501 -0.00809736 -0.03423546 0.00350255 -0.03844151 -0.00779426 -0.00235475 -0.00477055 +H 5.12831568 6.10291180 7.61925948 0.01354567 0.00129738 -0.01461792 0.05599510 -0.03169261 0.07456406 -0.03025124 0.00078802 -0.00842102 +C 7.40331234 6.86477451 6.17267664 0.00408259 0.00237707 -0.00088185 0.03132205 0.00493986 0.01319190 0.00225476 -0.00088761 0.00395537 +H 6.42533436 8.01770290 4.71476383 0.01017281 0.01483507 0.01233800 0.22692859 0.03225712 0.07493775 0.03633196 -0.00699798 0.00693747 +O 7.29287599 6.00962699 7.08594311 0.00134376 -0.00512165 0.00230378 0.02621287 -0.01898560 -0.00618908 0.00646327 -0.00018644 -0.00410808 +C 8.76269193 7.56363519 5.97915901 -0.00360992 0.00623098 -0.00175100 -0.01316902 0.04160098 0.00283027 0.00004320 0.00546744 0.00097270 +H 9.03800928 8.07157527 6.93070408 0.01975507 -0.01204471 -0.00747930 0.06965257 -0.09852325 0.00198217 0.00475955 -0.00628870 0.01940512 +H 9.58746505 6.83352576 5.87816828 -0.00687531 -0.00308481 -0.00263211 -0.10081052 0.02995300 -0.14318898 -0.01213364 0.00095621 -0.03604496 +H 8.75505800 8.42756334 5.31986829 0.01916048 0.01168524 0.00349680 0.09231152 -0.01606195 -0.07240677 -0.00031261 -0.01499300 -0.01658577 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.93661809 5.74153888 5.75637470 -0.00626028 -0.00300305 0.00435630 -0.02622861 -0.02663074 0.02763489 -0.00019135 -0.00405381 0.00355816 +C 2.24150585 6.10686284 5.83490864 0.00082904 0.00651527 0.00439191 0.00123047 0.05690294 0.04306903 -0.00279815 0.00320808 0.00663378 +H 0.95507148 4.86031454 5.52227056 0.00719001 -0.01312302 -0.00447395 -0.06598152 -0.02886084 -0.00396170 -0.02270608 0.01443954 0.00610181 +C 2.56143951 7.48413086 6.09703649 -0.00520611 0.00259704 -0.00500561 -0.01804100 0.00041868 -0.04350602 0.00115040 0.00180106 -0.00681820 +H 2.96099974 4.11183596 5.78438697 -0.02375994 0.00292095 0.01042757 -0.00028847 0.03732049 0.00176796 0.01042365 -0.02922233 -0.01082827 +C 3.91556925 7.87062122 6.19890485 -0.00424922 0.00030721 0.00428974 -0.00580318 -0.00456711 0.00150742 0.00143913 -0.00094432 -0.00383206 +H 1.74536894 8.19693524 6.14702902 0.01844710 0.00139845 -0.03432996 0.03844690 0.09038791 -0.16412821 -0.00299138 0.01135314 -0.00992945 +C 5.02832722 6.99707154 5.90488812 -0.00095005 -0.00292762 0.00081371 -0.03193571 -0.03203219 0.03086664 -0.00428957 -0.00455282 0.00715852 +H 4.16372228 8.90748273 6.32469235 0.00024946 -0.00753432 -0.01535260 -0.04313011 0.03076751 -0.03455474 -0.01102991 0.00413034 0.00436407 +C 4.67857474 5.57940260 5.79231285 -0.00292961 -0.00554802 -0.00876855 -0.04193228 0.00502322 -0.05798832 -0.00743970 0.00239961 -0.00732718 +N 6.32073883 7.55122465 5.98710313 0.00754225 -0.00155532 -0.00207644 0.05669457 -0.03828732 -0.02112393 0.00513137 -0.00694142 -0.00319633 +C 3.29781319 5.19069150 5.80467774 -0.00425773 -0.00458927 -0.00057420 -0.02930223 -0.03112163 -0.00557559 -0.00358041 0.00181706 -0.00068606 +H 5.45399431 4.86093295 5.66126125 -0.03229960 0.00759947 -0.00426061 -0.06970590 -0.12590320 -0.03534667 -0.00564353 -0.01074187 -0.00475363 +C 7.51958547 6.85518585 5.90333869 0.00870265 -0.00077848 0.00146558 0.05141473 0.03257748 0.00646582 0.00581437 0.00784187 0.00048679 +H 6.39064999 8.53448658 6.06128602 0.00054623 -0.00355587 0.00337517 0.02679736 -0.01133159 0.03182483 0.00789055 -0.02049989 0.00243648 +O 7.61512514 5.64883663 5.78367813 0.00269100 0.00929496 -0.00107037 0.01857078 0.04646486 -0.00807861 0.00279096 0.00351869 -0.00126596 +C 8.86681726 7.64243707 5.91472287 0.00653564 -0.00156673 0.00323676 0.02773991 -0.01498661 0.03905927 0.00197979 -0.00205879 0.00909777 +H 8.77347261 8.72938741 6.06511471 -0.00763703 -0.00507483 0.00496099 -0.05873499 -0.04159495 0.00131203 -0.00790076 0.00211979 -0.00470408 +H 9.40982772 7.21852283 6.74157918 0.02347560 0.01174602 0.00058279 0.15671380 0.10740406 0.02969538 0.01172653 0.01689301 -0.00074063 +H 9.51974346 7.41467741 5.02307579 -0.01619068 -0.00124773 0.01756515 -0.09477366 0.01349019 -0.00908033 -0.00029701 0.00313964 -0.03007528 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99584865 5.73219586 5.93664169 -0.00454478 -0.00115213 0.00253384 -0.00942870 0.00404364 0.01816604 0.00194213 0.00029682 0.00232813 +C 2.33536865 6.09241505 5.92925307 0.00302959 0.00541127 0.00407661 -0.00097298 0.01648232 0.01819623 -0.00258566 -0.00298859 -0.00041233 +H 0.79785987 4.82681889 5.72361639 0.00592335 0.01878876 0.01467046 0.03896811 -0.04293907 0.05096418 0.00873060 0.00000473 0.00628304 +C 2.63473992 7.37833889 6.42815583 -0.00258144 -0.00364459 -0.00677938 -0.01622579 -0.01301605 -0.04348361 0.00167787 -0.00095216 -0.00606415 +H 3.12161317 4.42647717 4.82151177 -0.00441501 0.01559524 0.02572660 -0.04567343 -0.15044065 0.17371505 0.00736221 -0.01841757 0.03272590 +C 3.98625387 7.74532253 6.42231382 -0.00389230 -0.00009433 -0.00208067 -0.01492966 0.01241085 -0.01409510 0.00035665 0.00069392 -0.00342813 +H 1.84109915 8.09928300 6.78380159 -0.02371694 0.00861816 -0.00699328 0.01482358 -0.12944851 -0.09482218 -0.01038787 -0.00750315 -0.00323239 +C 5.04232290 6.94634843 5.90396071 0.00709700 -0.00468288 0.00253974 0.02095563 0.00635239 0.03788122 -0.00272142 0.00502537 0.00757312 +H 4.13415852 8.75674684 6.88195151 0.00830540 0.00493526 -0.01649695 0.10639214 -0.03035185 -0.14875866 0.01764135 0.01718459 -0.00959213 +C 4.71459870 5.69507803 5.33964839 0.00606558 0.00386480 -0.00062256 0.03610858 0.00554212 0.01199721 0.00262554 0.00017862 0.00393723 +N 6.31817717 7.52057079 6.05213444 0.00083264 -0.00207724 0.00416258 -0.00632357 -0.01666440 0.02117386 -0.00316520 -0.00499338 0.00090524 +C 3.36703896 5.27016711 5.40779457 0.00765862 -0.00068861 -0.00200145 0.03460255 0.02208817 -0.01728979 -0.00053547 0.00374918 -0.00259911 +H 5.45648451 4.92176226 5.07088411 0.01507968 -0.00077603 -0.00993369 -0.00241678 0.13253341 -0.16091585 0.00161499 0.01658046 -0.03712576 +C 7.43383624 6.87964616 5.80299164 -0.00234153 0.00056953 -0.00188043 0.00344387 0.00511814 0.00438166 0.00300582 -0.00010953 0.00299428 +H 6.51495758 8.48081792 6.43896992 -0.01477071 0.01088812 0.00999891 -0.22189428 -0.06359102 -0.01211562 -0.02940162 0.01508581 0.00399412 +O 7.54328143 5.71221606 5.59601310 -0.00544064 -0.00145647 -0.00404513 -0.03035343 -0.02778882 -0.03865602 -0.00281282 -0.00511273 -0.00667005 +C 8.66387776 7.65345874 6.07658976 -0.00394334 0.00109014 0.00215777 0.00119730 0.02699103 0.01248790 0.00142887 0.00622000 0.00336430 +H 8.40333226 8.24423678 6.94947153 0.01476538 -0.01460559 0.00545121 0.15924089 -0.00724524 0.08993555 0.02541932 0.00808072 0.00959876 +H 9.61602179 7.07631185 6.31568753 -0.00489714 0.00776408 -0.00444655 -0.12723286 -0.03632035 -0.03813427 -0.00016795 -0.03540540 -0.00166196 +H 8.94053136 8.34846004 5.24189491 0.01847335 -0.00268923 0.00286520 0.03234159 -0.04046213 0.05106076 -0.00176106 0.00941005 -0.00858397 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.88524899 5.87194254 5.85497360 -0.00252135 -0.00402192 0.00554621 -0.00787826 -0.04515570 0.02677952 -0.00009023 -0.00775790 0.00248924 +C 2.23262469 6.12870908 5.81906895 -0.00369838 0.00421640 -0.00278484 -0.02986623 0.03158156 -0.00796939 -0.00301985 0.00253205 -0.00035158 +H 0.30643907 6.50241644 6.30500249 0.01103317 -0.00488088 -0.01709312 0.03628633 0.06334274 -0.07196940 0.00178918 0.01115367 -0.00820982 +C 2.64610514 7.31090020 6.39008424 -0.00967732 -0.00007525 0.00001071 -0.04193097 0.01976549 0.01655022 0.00138786 0.00460014 0.00398547 +H 2.96408952 4.31501488 4.96654942 0.01103423 0.01167301 -0.02175347 0.03400179 0.04490089 -0.10188545 -0.00296076 -0.00344921 -0.00491406 +C 3.97408871 7.68786194 6.50497178 0.00775138 -0.00087205 -0.00598834 0.05358767 -0.02114957 -0.05773119 0.00035077 -0.00399366 -0.00874579 +H 1.90471208 7.99643922 6.85365818 0.00426905 -0.03643797 0.01621821 -0.07195473 -0.12138118 0.11605625 -0.02523343 0.01234389 0.01996894 +C 5.02062218 6.80605677 5.98612820 0.00217976 0.00403570 -0.00766784 0.01023263 0.06564092 -0.02901955 0.00212298 0.00907223 -0.00285328 +H 4.27195881 8.68203181 6.92966911 -0.01130087 -0.01491849 0.00659631 -0.06901480 -0.10555714 0.06560703 0.00569447 0.00451519 0.01706136 +C 4.65801128 5.59205324 5.47047076 0.00355188 0.00245636 0.00060090 -0.00941798 -0.01737280 -0.00512519 -0.00687270 -0.00251763 -0.00041274 +N 6.32198744 7.31669130 6.06966885 -0.00131439 0.00441316 0.00488186 0.00221573 0.03149294 0.03252982 0.00386640 0.00318878 0.00371712 +C 3.23804417 5.27573015 5.39108464 -0.00222901 0.00184657 0.00115027 0.01853822 -0.00293322 -0.01089805 0.00482399 -0.00087335 -0.00395657 +H 5.44179789 4.86307199 5.16420311 -0.00240411 -0.02850723 -0.00065559 -0.12872104 -0.03237827 -0.00461496 -0.00512753 -0.00183886 -0.00946449 +C 7.55431237 6.85683583 5.88087468 0.00662046 -0.00748484 0.00195570 0.02488584 -0.03343944 0.01352409 -0.00266460 0.00140067 0.00297818 +H 6.35235515 8.29996252 6.30708973 0.00966163 0.01062143 -0.00215791 0.02417068 0.02336925 0.00570517 -0.00219704 0.00475062 0.00663410 +O 7.86462349 5.70403699 5.52221895 -0.00116055 0.00274731 0.00190322 -0.01118056 0.01286030 0.01467623 -0.00155484 -0.00088105 0.00172251 +C 8.64133156 7.92131157 6.02531950 0.00093230 -0.00180825 -0.00102438 -0.00043729 -0.03586275 -0.00861042 0.00189574 -0.00588739 -0.00242521 +H 9.01471097 7.93308052 5.03854509 -0.00882780 -0.01067718 0.00635772 0.00830935 0.11066399 -0.07735914 -0.00067362 0.03090296 0.00504439 +H 8.28440424 8.82904251 6.42607402 0.00452445 0.01334020 0.00839607 0.08090928 0.04384878 0.00688270 0.01906694 -0.02497837 -0.01208976 +H 9.43220643 7.47268887 6.58990520 -0.00600118 -0.00888718 -0.01816875 0.05277806 -0.02607278 0.01538584 0.00556813 0.00777574 0.00785239 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98277509 5.68415486 6.00596815 -0.00175686 0.00102922 -0.00034066 -0.02003391 0.01748577 -0.01650285 -0.00475845 0.00426120 -0.00522642 +C 2.28727621 6.03184905 5.99026993 -0.00712146 0.00704049 0.00174925 -0.02850979 0.04211713 0.01103549 0.00200525 0.00420175 0.00054948 +H 0.65366159 5.96834403 5.20719236 -0.00008809 0.00806580 -0.00446176 -0.09362853 0.01595335 -0.00730549 -0.01586638 -0.00930938 0.02002213 +C 2.97999453 5.64073484 7.11642657 0.00690855 -0.00246111 -0.00604600 0.06344273 -0.02225889 -0.03528725 0.00809416 -0.00223775 -0.00631239 +H 2.38669059 7.02823452 4.03461995 0.00730225 -0.00147456 0.00152377 0.04702105 -0.02997809 -0.00892526 0.00353536 -0.00796483 -0.01103515 +C 4.38662370 5.81743058 7.08511675 0.00255211 0.00178510 0.00488626 0.01596338 0.00750429 0.07641972 0.00300363 0.00019140 0.01454788 +H 2.58022235 5.14743225 8.03794032 -0.00557275 -0.01377135 -0.00066639 -0.05707469 -0.00836518 -0.19175136 -0.01724165 -0.00669609 -0.01831439 +C 5.13432604 6.45586793 6.07578763 -0.00285715 -0.00460710 0.00947579 -0.02789334 -0.02612901 0.03165581 -0.00271142 -0.00132471 -0.00038497 +H 4.81030555 5.55100414 8.03856403 -0.00266768 -0.00629306 0.02263349 0.06949035 -0.04397598 0.01123802 0.02257506 -0.00784033 -0.00799581 +C 4.37261154 6.83235692 4.91180117 0.00266150 0.00544334 0.00647647 0.01903392 0.05396410 0.05244929 0.00028805 0.00849132 0.00804814 +N 6.50190088 6.63529893 6.30230232 0.00128326 0.00286911 -0.00680308 -0.01261730 0.00452384 -0.02296778 -0.00728804 -0.00227843 0.00012660 +C 2.94417436 6.69070526 4.91244907 0.00457231 -0.01127791 -0.00684820 0.03627126 -0.08193765 -0.03963800 0.00536482 -0.01084839 -0.00261718 +H 4.88078161 7.35292742 4.12791671 -0.00243983 0.04574079 -0.01182461 -0.10008505 0.12786729 0.06116530 -0.01342357 -0.00607855 0.02541889 +C 7.44746579 7.30265858 5.62979826 -0.00617973 -0.00112708 -0.00043171 -0.03599937 -0.00051537 0.00709111 -0.00149897 0.00291483 0.00026797 +H 6.84135114 6.30226803 7.19607491 -0.01558830 -0.02144414 0.00812166 -0.09412679 -0.09200486 -0.07870397 0.00285092 -0.00947051 -0.01114317 +O 7.27659179 7.83637169 4.57282910 -0.00187078 -0.00131538 -0.00287935 -0.01361023 -0.00287246 -0.03496457 -0.00211374 -0.00006482 -0.00594644 +C 8.73219338 7.43955387 6.39361048 0.00077838 -0.00078289 0.00014899 0.02648354 0.01516874 -0.00592486 0.00486501 0.00145205 0.00022826 +H 8.56165291 7.48308875 7.45323300 -0.00059603 -0.00146100 -0.00145081 0.01937233 -0.04846456 0.02408730 0.00669806 -0.01146221 -0.00611317 +H 9.39511727 6.63225868 6.10110321 0.00274464 0.02264584 0.00122129 0.04825213 -0.01789880 0.03649344 0.00182010 -0.01788141 0.00839843 +H 9.32517977 8.33895222 6.10425564 0.04098799 0.00400608 0.01840925 0.05039705 -0.05391749 0.12438041 -0.01188900 0.00791244 0.00562058 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98745756 5.60507405 5.73211793 0.00303909 0.00093399 -0.00410828 0.01980054 0.00464965 -0.03539055 0.00248302 -0.00005253 -0.00440823 +C 2.30327529 5.95708361 5.95107027 -0.00431362 0.00008449 0.00301664 -0.01622507 -0.00068223 0.02238066 0.00115507 0.00035275 0.00304385 +H 0.67735753 5.73924918 4.85782800 0.00554965 0.00287959 -0.02874848 0.09913441 0.01238732 -0.03119239 0.01422050 0.00447406 -0.00582838 +C 2.98580840 5.54149466 7.11616436 -0.00436055 0.00001321 0.00734140 -0.01512176 0.01932500 0.03059118 -0.00134791 0.00465929 0.00167560 +H 2.45405568 6.78485500 4.05327885 0.03939597 -0.01660039 0.00683510 0.21352802 0.05338119 -0.09684915 0.02192278 0.02067175 -0.00687358 +C 4.36707728 5.93339708 7.21780985 -0.00250691 0.00125157 -0.00364388 -0.03306876 -0.01076266 -0.01606894 -0.00502004 -0.00574929 0.00364258 +H 2.49699451 4.91239565 7.83588543 0.00091172 -0.00005137 0.01280869 0.02210352 0.03561651 0.09018197 0.00642147 0.01540906 0.00577454 +C 5.09423231 6.69231332 6.26245259 -0.00644255 -0.00914854 0.00295642 -0.03471765 -0.05824225 0.01951870 -0.00110884 -0.00440259 -0.00048427 +H 4.96890465 5.50640109 7.98319524 -0.01024682 0.02496586 -0.03030044 -0.01211970 0.06751060 0.09136287 -0.01185776 0.00306927 0.02882449 +C 4.37189068 7.10370908 5.15085668 0.00094969 0.00583361 0.00110764 -0.03115085 0.02750661 -0.00443288 -0.00534270 0.00081947 -0.00098669 +N 6.46082753 6.82504534 6.48716383 0.00218724 -0.00074177 0.00447660 0.01914084 -0.00357745 0.02477934 0.00064656 -0.00144624 0.00309009 +C 3.00842248 6.67050526 4.96093850 0.00493851 -0.00143915 0.00280509 0.03927859 -0.01374230 0.03244521 0.00330063 -0.00172894 0.00287921 +H 4.68880327 7.75526300 4.35592510 -0.01030852 -0.02647529 -0.01261351 0.13928930 -0.15726389 -0.09528440 0.03299526 -0.02031009 0.00152821 +C 7.44547414 7.26054568 5.66805872 0.00171827 -0.00835103 -0.00449012 -0.02051063 -0.04960877 -0.05073936 -0.00419657 -0.00549962 -0.00657417 +H 6.84170101 6.45681298 7.33140996 -0.01087382 0.01551681 0.01102634 -0.07767632 0.11293877 0.13158051 -0.00818021 0.02153234 0.00746867 +O 7.16680097 7.58030501 4.49045286 -0.00058738 0.00656714 0.00130316 0.00444031 0.04363025 0.01663197 0.00109383 0.00584474 0.00197155 +C 8.86190434 7.32466218 6.14204934 0.00684745 0.00035518 -0.00715128 0.03547167 0.01742777 -0.03028535 0.00184082 0.00069081 -0.00516874 +H 9.25665137 6.34161309 6.25771272 0.00273438 0.01922880 -0.01073940 0.10598395 -0.02682223 -0.04996996 0.01606691 0.00146868 -0.00467916 +H 9.44872196 7.84975314 5.38953116 -0.01770147 0.00334539 -0.00474058 -0.02046892 0.07052841 -0.06516588 0.00931615 0.01536280 -0.00251668 +H 9.01087599 7.89351180 7.10074335 -0.03099953 0.00428668 0.01564987 -0.21438569 -0.06531818 -0.06188113 -0.01893132 -0.00413347 -0.00445755 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.12000314 5.69938961 5.64355350 -0.00089206 -0.00512502 -0.00125968 -0.02804656 -0.03381129 -0.00840941 -0.00750317 -0.00650087 -0.00181938 +C 2.36226439 6.11716807 5.85967142 -0.00677151 -0.00002042 -0.00015733 -0.05249764 0.03688074 0.00772665 -0.00436067 0.00518505 0.00205914 +H 1.12364457 4.84339321 5.32306616 -0.00414467 -0.00074402 0.01635996 -0.05537827 -0.10282731 0.07985694 -0.00794967 0.01111289 0.01899622 +C 2.58298516 7.50183393 6.12113013 0.00204436 0.00003196 0.00204060 0.01342373 -0.01259897 0.00743168 -0.00068903 -0.00090090 0.00008435 +H 3.03506900 4.18374453 5.63473414 0.02548283 -0.01016576 -0.00216699 0.25309040 -0.02687701 0.00735435 0.02973259 -0.01096012 0.00322223 +C 3.93351882 7.91141416 6.26939090 0.00074237 0.00629643 -0.00449186 -0.01559746 0.05595882 -0.01737002 -0.00189729 0.00632954 -0.00053184 +H 1.76061980 8.18185498 6.19319100 -0.01575242 -0.01515996 -0.00288281 -0.03817883 -0.06275508 -0.01092901 0.01243128 -0.00287212 0.00068959 +C 4.94411576 6.97508191 6.16796023 -0.00666511 -0.00180426 -0.00036582 0.01570124 0.00147993 -0.00361228 0.00792627 0.00413578 -0.00080745 +H 4.08451504 8.95107003 6.50666398 0.01781766 0.01592103 0.00902211 0.12762718 0.01324474 -0.01288209 0.00908941 -0.00392669 -0.01182900 +C 4.67628144 5.63876598 5.94247425 -0.00093418 0.00467638 -0.00732641 -0.01446137 0.01242206 -0.04792313 -0.00214073 -0.00120261 -0.00549302 +N 6.30480855 7.34776962 6.31413240 -0.00039949 -0.00069353 0.00382919 -0.01262654 0.00486937 0.02134326 -0.00161086 -0.00002102 0.00045204 +C 3.34942058 5.21996630 5.80713701 0.00047303 0.00177328 0.00636541 0.01823613 -0.01834355 0.03238191 0.00265371 -0.00314875 0.00258725 +H 5.50840797 4.94851665 5.88210006 -0.00649083 0.00505238 0.00163426 -0.07352114 -0.05370808 -0.00586879 -0.00892722 -0.01569302 -0.00585883 +C 7.43969655 6.86171524 5.73247713 0.00188355 0.00337244 -0.00689578 -0.00310089 0.01844126 -0.01026869 -0.00162837 0.00020936 0.00390610 +H 6.39224806 8.16136533 6.94305273 0.00170922 -0.01014727 0.03371500 0.07093978 -0.12613474 0.08285520 0.01635092 -0.00102943 0.01004404 +O 7.57393537 5.79498601 5.18496596 -0.00043858 -0.00568837 -0.00217292 -0.01214001 -0.03919869 -0.02562111 -0.00315035 -0.00356439 -0.00430821 +C 8.68017253 7.61229260 5.99452800 0.00565520 0.00230642 0.00885779 0.06484888 0.02715953 0.05377582 0.01031705 0.00557659 -0.00031607 +H 8.90568023 7.82742085 7.12278845 0.02424746 0.00014784 -0.01747261 0.08683864 -0.04247077 -0.05112764 0.01052379 0.00081092 0.05103163 +H 9.51370757 7.01837787 5.63510943 0.00926984 -0.00035978 -0.00111642 0.04766028 0.04045829 0.00531965 0.00372169 0.00826943 0.00461575 +H 8.70750297 8.56128223 5.55399058 0.01709773 -0.00146112 -0.01230571 0.07782477 0.00566161 -0.11486519 0.00519104 -0.01850760 0.00232804 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.90684801 5.78489709 5.91016301 0.00300330 -0.00249168 -0.00068168 0.02066287 -0.03160402 -0.00860287 0.00362277 -0.00474030 -0.00209887 +C 2.24667438 6.07612560 5.80755275 -0.00324097 0.00208385 0.00321341 0.03394853 0.02508412 0.02552852 0.01021036 0.00480512 0.00436052 +H 0.69245714 4.93878425 6.22998036 -0.02269095 -0.02129560 -0.00632688 -0.03973573 -0.02984301 -0.11604262 0.00982679 -0.00496093 -0.02166503 +C 2.60591180 7.42701501 6.00867016 0.00559256 0.00820706 0.00538893 -0.00513500 0.05785851 0.04240258 -0.00628869 0.00497786 0.00559864 +H 3.17346476 4.16421836 5.41480004 -0.00293493 -0.00314586 -0.02060907 0.00162349 -0.04363143 -0.11239239 0.00278705 0.01035803 -0.00188779 +C 3.92261868 7.88357141 6.29167088 -0.00549447 0.00281947 -0.00799147 -0.01631656 0.00970501 -0.05936561 0.00359832 -0.00106616 -0.00753051 +H 1.78993390 8.14924508 6.05013923 -0.01693766 0.01765941 -0.00423053 0.03607059 0.02715628 0.03591623 0.00706224 0.00742182 0.01737558 +C 4.98762673 6.96338039 6.09603425 -0.00401570 -0.00085660 0.00577516 -0.00019853 0.00025302 0.01848794 0.00240164 -0.00024155 -0.00196719 +H 4.04459557 8.95627342 6.51748344 0.02256865 -0.00162594 0.01854312 0.13772475 -0.09694749 0.06017333 0.01050620 -0.00340849 -0.00258820 +C 4.70747745 5.61506625 5.70502794 -0.00577331 -0.00000560 -0.00122403 -0.01916233 -0.00100987 0.00540349 -0.00105760 0.00162789 0.00363224 +N 6.32601917 7.48312920 6.13706785 0.00329250 0.00204649 -0.00795553 -0.00420476 -0.01897494 -0.05549649 -0.00499384 -0.00376859 -0.00598244 +C 3.37686375 5.17993508 5.60587737 0.00357004 -0.00544069 0.00206349 -0.03310390 -0.02576908 0.01750964 -0.01076540 -0.00273104 0.00189773 +H 5.44640263 4.84410974 5.54173766 0.03582604 -0.00925455 0.00748910 0.03819930 0.12710905 0.04853958 -0.01395391 0.02243974 -0.00006259 +C 7.50749136 6.85021482 5.84943337 -0.00223518 -0.00190792 0.00063088 0.00185525 -0.01573957 -0.00051431 0.00248505 -0.00112159 -0.00060935 +H 6.42490634 8.44573540 6.31053091 -0.02804549 -0.01868253 0.00640454 -0.11387356 0.01751242 0.08954781 0.00291315 -0.01910476 0.00397199 +O 7.65556134 5.65967425 5.45002260 0.00447440 0.00151465 -0.00175553 0.02388964 0.02905525 -0.00480151 0.00242276 0.00543796 -0.00002617 +C 8.78102761 7.70785207 6.06062081 0.00153246 -0.00417000 0.00317321 -0.02091380 -0.03190185 0.02912342 -0.00638322 -0.00034261 0.00294922 +H 8.53403928 8.49537405 6.71349893 -0.00394782 0.00565694 -0.00299917 0.02651936 0.03861171 0.04947189 0.01263459 -0.01688152 0.00300450 +H 9.61175820 7.07980654 6.47909519 -0.02099133 0.00770079 -0.00977401 -0.03459398 -0.02145895 0.02960458 0.01756161 -0.01875264 0.01976542 +H 9.13924106 8.11950153 5.16922589 -0.00735913 0.00136381 0.02931001 0.00269141 0.06541330 -0.03717730 -0.00679411 -0.00621354 -0.00032733 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.06299131 5.73115532 5.95719263 0.00488658 0.00033091 -0.00022378 0.01180946 -0.00763538 -0.00018306 -0.00266851 -0.00344601 -0.00027361 +C 2.35541972 6.08959022 5.97872440 -0.00293366 -0.00269209 -0.00433336 -0.00970900 -0.02215731 -0.04337111 0.00158285 -0.00124924 -0.00602751 +H 0.91756159 4.95816438 5.49791626 -0.01792611 -0.00610415 0.00389068 -0.08905131 -0.02104150 0.03642203 -0.00134195 0.01394619 0.01387273 +C 2.63861547 7.31872457 6.55234712 0.01065483 -0.00274181 0.00531153 0.05880006 -0.01626106 0.04245788 0.00568762 -0.00510010 0.00386456 +H 3.09069471 4.34854699 4.73903721 0.00242069 -0.04070362 -0.02203178 0.00646130 0.03031095 0.06728196 -0.01007712 0.00782431 0.01832066 +C 3.96930352 7.77439584 6.45139180 -0.00078615 0.00772164 0.00103623 -0.00181140 0.05716494 0.00505597 0.00185529 0.00397931 -0.00156365 +H 1.87057579 7.89087308 7.08257004 -0.01936200 0.00947916 0.01807901 0.07840799 -0.04960309 -0.03628406 0.01839085 -0.00608445 -0.00878738 +C 4.96820904 6.98054922 5.87486084 0.00044710 0.00251133 -0.00678623 0.02596258 0.03472113 -0.03426893 0.00321811 0.00805512 -0.00192137 +H 4.20012763 8.81264029 6.84589708 -0.02603747 0.00840814 0.00227084 -0.11461285 -0.02314148 0.03746901 0.00546082 0.02321357 0.02111907 +C 4.63933551 5.73380516 5.28137864 -0.01105147 0.00793109 0.00005089 -0.06185255 0.03310201 -0.00884209 -0.00602397 0.00348690 -0.00137950 +N 6.30359369 7.48496460 5.95678263 0.00534973 -0.00358703 -0.00032034 0.01634677 -0.01441206 -0.01347944 -0.00009019 -0.00391655 -0.00421517 +C 3.31021159 5.29523891 5.26855012 -0.00343211 -0.00429105 0.00026667 -0.03294492 -0.03454459 0.00206403 -0.00462429 -0.00200555 0.00161344 +H 5.32122429 5.00539893 4.80907255 0.00171575 -0.00906759 0.00297892 -0.00067438 0.14693861 0.07761433 0.01254187 0.02476175 0.00294648 +C 7.47525905 6.86312719 5.84697638 0.00255868 -0.01367338 -0.00141348 0.01157923 -0.05110035 0.00287315 0.00017618 0.00375821 0.00318741 +H 6.38871189 8.50199815 6.10963691 0.00292715 0.01721517 -0.00944402 0.01365255 -0.07037889 -0.05411934 0.00575865 0.00299495 0.00012101 +O 7.54408014 5.64916121 5.71446933 0.00219484 0.00460772 0.00285751 0.02516069 0.00400240 0.01385367 0.00509277 -0.00555899 0.00089449 +C 8.73420519 7.71329300 6.03864679 -0.00339812 0.00194499 0.00378535 -0.02811106 0.02849590 0.03675765 -0.00623693 0.00122444 0.00592847 +H 8.56858610 8.31693159 6.95613035 -0.00760134 0.03417440 0.01467666 -0.00111339 0.08060790 -0.07946576 0.00559947 0.00253637 -0.00914435 +H 9.62512588 7.11644663 6.30350912 -0.01357486 -0.01244813 -0.01370178 -0.08375658 -0.06859215 -0.12624109 -0.00096204 -0.00255905 -0.01487946 +H 9.00848289 8.45592506 5.21446358 -0.01467651 0.00969938 -0.00925682 -0.16942662 -0.11773694 0.01516068 -0.02058224 -0.01404690 -0.01896041 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94400291 5.66409881 5.93039178 -0.00311523 0.00687139 0.00210114 0.00171152 0.05210024 0.00676524 0.00299153 0.00700747 -0.00034009 +C 2.26665817 6.13987667 5.87238749 0.00474585 -0.00243801 -0.00049135 0.00123801 -0.01142785 0.02127019 -0.00353164 0.00168842 0.00648879 +H 0.83383087 4.84931673 5.52993348 -0.00918995 -0.00321054 -0.00273766 -0.05389572 0.04342653 0.02630043 -0.00428178 0.02290591 0.01361327 +C 2.60290054 7.39873589 6.35250248 -0.00003863 0.00448826 -0.00189181 -0.01186473 0.04025548 -0.01161116 0.00203635 0.00025354 -0.00379913 +H 3.05114082 4.29332399 5.12754179 0.00460234 0.02346510 -0.01318189 0.03531344 0.03995547 -0.00307759 -0.00101896 -0.02947216 0.00387724 +C 3.95893023 7.82940232 6.32333164 0.00123361 -0.00419320 -0.00088146 0.00470534 -0.03006217 0.00442064 0.00011126 -0.00646097 0.00058172 +H 1.75462774 8.10639254 6.72487633 -0.02638545 -0.00141608 0.02793952 0.09983067 -0.15590337 0.06093152 -0.00605568 0.01141294 0.01720182 +C 5.03769124 6.99486283 5.94871146 0.00313137 -0.00694719 -0.00687960 -0.01534104 -0.06340336 -0.04837782 -0.00608027 -0.00731589 -0.00480705 +H 4.13470710 8.85307418 6.75701989 0.00444689 -0.03017331 0.00148077 0.09300174 -0.09326293 -0.00750773 0.02314948 0.02426987 0.00671113 +C 4.65245161 5.65517494 5.55540057 0.00804704 -0.00918233 0.00319702 0.06554239 -0.04217700 0.03041412 0.00637163 -0.00340383 0.00472270 +N 6.33361653 7.45330680 6.03069124 -0.00603415 0.00351972 0.00378488 -0.03020702 0.01181987 0.02857478 -0.00205864 -0.00114542 0.00336588 +C 3.31652804 5.27573669 5.56718521 0.00166642 0.00444319 0.00197753 0.01182355 0.00846388 -0.01822855 0.00373665 -0.00106941 -0.00619461 +H 5.39773772 4.87872754 5.28695848 0.00820415 -0.00454277 0.00851593 0.05281950 0.00051329 0.02878380 0.01956036 -0.00992242 -0.00365212 +C 7.50114632 6.86924630 5.83281006 -0.00323566 0.00047847 -0.00897609 -0.00536487 -0.01147792 -0.07663869 0.00029955 0.00098374 -0.00947258 +H 6.48215747 8.33258087 6.50904108 -0.01185891 -0.01948692 0.00119927 -0.12856702 0.05265345 0.04289253 -0.02080697 0.01575331 0.00197482 +O 7.65862830 5.72741319 5.31595991 0.00248589 -0.00240300 -0.00075165 0.01249282 0.00016757 0.00145713 0.00123170 0.00115539 0.00023484 +C 8.74133914 7.67018188 6.20981567 -0.00191272 0.00743873 0.00493076 -0.03432679 0.03656459 0.03303503 -0.00592113 0.00177459 0.00475667 +H 8.77897116 7.63772311 7.25673044 -0.02375184 -0.00324551 0.00419817 -0.08541453 0.03870801 0.11046867 0.00081346 0.01162519 -0.00714223 +H 9.65620285 7.26835577 5.85749420 -0.03201492 -0.00602858 -0.00484826 -0.07425534 -0.13694445 -0.06285343 -0.01262550 -0.01030805 0.00565449 +H 8.71151842 8.68084215 5.83321876 0.01728804 -0.00474688 0.01084049 0.05990583 0.09000582 0.05953791 -0.00167965 0.01154613 0.00869077 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99540443 5.74180599 5.59829020 -0.00112247 -0.00395157 0.00382143 0.00414495 -0.02413902 0.03247603 0.00132547 -0.00314155 0.00793433 +C 2.30495538 6.09582701 5.75882242 0.00440267 0.00477801 -0.00018014 0.00519881 0.01934998 0.00078130 -0.00383666 0.00051796 -0.00065368 +H 0.52643103 5.60806297 6.39470025 0.01928149 -0.00170789 -0.01179597 0.04676318 -0.06173237 0.09743285 0.01364821 -0.00884436 -0.00065659 +C 2.82057939 6.68821452 4.62551941 -0.00607737 -0.00157415 -0.00774792 -0.00935303 -0.00974936 -0.02957230 0.00551055 0.00057343 -0.00274192 +H 2.82883979 5.31742155 7.80081875 -0.01272469 -0.00193237 -0.00111141 -0.14376954 0.01235135 -0.06899590 -0.01888280 0.00791128 -0.01761890 +C 4.17912598 6.92581620 4.62140484 0.00348045 0.00035684 -0.00005019 0.04570786 0.01839872 -0.02873289 0.00677120 0.00528243 -0.00838732 +H 2.13183156 6.86947447 3.82209543 0.02211546 0.01608918 0.00493186 0.08879251 0.13494979 -0.13262064 0.00998775 0.00855579 -0.01463542 +C 5.09613423 6.65249490 5.65457350 0.00662771 0.00575875 -0.00051667 0.01857617 0.02943587 0.01059737 -0.00217045 0.00174169 0.00267807 +H 4.64253769 7.30189064 3.74513351 -0.00826452 0.01864738 0.00464237 -0.07020117 0.15740798 -0.05232595 -0.00939978 0.01503410 -0.00444857 +C 4.52488493 6.09088606 6.82054782 0.00143451 -0.00121031 -0.00059619 0.02199997 -0.00988434 -0.00436807 0.00483045 -0.00122414 0.00001607 +N 6.47939166 6.82364437 5.45268966 0.00299283 -0.00853669 0.00006636 -0.00713652 -0.06858572 0.00359224 -0.00462111 -0.00994990 0.00179003 +C 3.13837350 5.80724115 6.89621512 -0.00116381 0.00294323 -0.00076248 -0.00496995 0.02040378 -0.01246114 0.00008962 0.00251396 -0.00240169 +H 5.15940680 5.75929838 7.59566653 0.02785832 0.00432454 -0.00042518 0.08331970 0.06841593 0.00427245 -0.01553455 0.01292611 -0.00552894 +C 7.44239802 7.15640930 6.28987635 -0.00861545 -0.00375555 0.00676789 -0.03687979 -0.03589256 0.01332651 -0.00044431 -0.00583894 -0.00235294 +H 6.79815732 6.38784888 4.54443318 -0.01472121 0.00797974 0.02314326 0.00758214 0.09175909 -0.03752733 0.01721871 0.01105108 -0.04129791 +O 7.20285674 7.44222946 7.44988223 0.00188242 0.00181853 0.00037256 0.01927092 0.01783787 0.01564946 0.00312927 0.00306547 0.00380023 +C 8.85191633 7.11199691 5.63160157 -0.00526353 0.00277978 -0.00312232 -0.03987984 0.02867013 0.01457532 -0.00772622 0.00354451 0.00581485 +H 8.91288019 7.45250368 4.58128536 -0.02050406 0.00439750 -0.00275762 -0.16170458 0.02194272 0.03093021 -0.02283887 0.00773249 0.00547800 +H 9.39010839 7.85165013 6.25700497 0.00224415 -0.00174847 0.01316215 0.03040697 -0.04994534 -0.03805063 0.01672761 -0.00096339 -0.01110469 +H 9.42140020 6.19737278 5.80693158 -0.00727372 -0.01363893 -0.02330628 -0.15845030 -0.04574625 -0.18965927 -0.03345337 0.00133531 -0.02564657 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97273460 5.65060926 5.74400179 0.00000814 -0.00023971 -0.00246501 0.01680696 0.01291730 -0.00728285 0.00308630 0.00301927 0.00018175 +C 2.30969516 6.07419374 5.93215153 -0.00103587 -0.00208883 -0.00139779 -0.03848265 -0.01724192 -0.01776697 -0.00651283 0.00051225 -0.00250488 +H 0.81140265 4.74607706 5.42627364 -0.00261027 0.01117045 0.02011653 0.03246253 -0.02558565 0.10975097 0.01125251 -0.01386853 0.01120302 +C 2.57315364 7.37428647 6.33409497 0.00762962 0.00102482 0.00664627 0.00789329 0.02084279 0.04660401 -0.00134476 -0.00056342 0.00432233 +H 3.28723218 4.25492997 5.33917723 0.00565022 -0.01644588 0.01777609 -0.06238171 -0.12414690 0.05688044 -0.01837125 0.02590416 0.00126430 +C 3.86579967 7.89447294 6.38277740 -0.00370486 0.00247463 -0.00283295 0.03908239 0.01495281 -0.02091883 0.01380868 0.00296688 -0.00287296 +H 1.72183405 8.07710659 6.58123305 -0.01609328 0.00791950 0.01841234 0.07424396 -0.09750136 0.05889355 -0.00728469 0.00506563 0.01280102 +C 5.01463574 7.05220273 6.08783963 0.00912852 0.00096150 -0.00144116 0.00270311 0.01214746 -0.02073924 -0.00880284 -0.00065056 -0.00449540 +H 3.94644967 8.91730905 6.64938539 0.02641725 0.01310366 -0.01563457 0.16996085 0.03034166 -0.08722643 0.01389564 -0.01376659 -0.00844443 +C 4.66697683 5.76434536 5.68424727 -0.00377944 -0.00396139 0.00327067 -0.01250324 -0.04183557 0.03213111 -0.00008138 -0.00626674 0.00468999 +N 6.35461319 7.50191103 6.09863156 -0.00115294 -0.00947244 0.00130671 -0.01216689 -0.03602721 0.03166213 -0.00172550 -0.00199194 0.00625711 +C 3.37545876 5.23469480 5.62024194 -0.00738673 -0.00239487 -0.00828287 -0.03682877 -0.01346932 -0.05021028 -0.00318289 -0.00519760 -0.00559731 +H 5.45624624 5.01244732 5.60621837 -0.01706342 0.01478817 -0.00662646 -0.01653348 -0.01186377 -0.15045764 0.01057049 -0.01857313 -0.02749016 +C 7.48664611 6.85795701 5.79570823 -0.00341426 0.00488190 -0.00044297 0.00217733 0.01670284 -0.01224294 0.00407331 -0.00040836 -0.00199213 +H 6.51605190 8.40357149 6.53317138 0.00810945 0.01397669 0.00456632 -0.02058460 -0.05308241 -0.05435743 -0.00918998 0.00030698 -0.00490261 +O 7.59031043 5.79010851 5.22507438 -0.00029882 0.00252485 0.00352873 -0.01016952 0.00824696 0.02055110 -0.00239045 -0.00034456 0.00210451 +C 8.79745624 7.49919439 6.13176233 0.00744967 -0.00081198 -0.00329065 0.02103540 0.02765402 -0.00962935 -0.00132838 0.00801333 -0.00001277 +H 8.53902076 8.48479647 6.51663313 -0.01838563 0.01279599 0.00221556 0.02794743 -0.02408202 0.03056514 0.01975007 -0.00411825 0.00462246 +H 9.34411647 6.84079980 6.82226490 0.00609992 0.03046970 0.01437060 0.09088492 0.21582869 0.08583220 0.01734578 0.02319570 0.00256319 +H 9.37155188 7.68225454 5.21168971 -0.02971785 0.00655734 0.00236428 -0.05446447 0.01942916 -0.07162806 0.01513227 0.00007688 -0.01400839 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.90737469 5.81481570 5.78302389 -0.00006810 0.00129511 0.00224625 0.01916658 -0.00091259 0.00603584 0.00387735 0.00007170 0.00150382 +C 2.29958646 6.08084819 5.84470841 -0.00620515 0.00238063 0.00045760 -0.05949664 0.01330541 0.00888756 -0.00669523 -0.00094429 0.00075698 +H 0.66868428 5.16662770 5.08780210 -0.01194316 0.00728316 -0.00858239 -0.04144578 0.07911840 0.01215611 -0.00748109 -0.01046673 -0.01763436 +C 2.60511569 7.36391979 6.31603355 -0.00053431 -0.00861031 -0.00595580 0.00963870 -0.04685318 -0.04721848 -0.00125399 0.00195392 -0.00434613 +H 3.21794061 4.22901857 5.19023780 -0.00367909 0.02019793 -0.01140939 -0.10492209 0.00610932 -0.05947432 -0.01733944 0.00202607 0.00339447 +C 3.93434427 7.83792425 6.38071580 -0.00158929 0.00052851 0.00022342 -0.01940099 -0.00967219 0.00466261 -0.00005265 -0.00485581 -0.00004072 +H 1.74916241 7.94046573 6.42836432 0.03089412 -0.01925378 0.00004933 0.03957591 0.11723396 0.12525503 0.01777833 0.01087063 0.01760659 +C 4.98709107 6.96825979 6.08907103 0.00316041 -0.00679353 0.00393138 0.04366766 -0.03951291 0.01413081 0.00633750 -0.00093987 0.00122078 +H 4.02277858 8.85756968 6.70443832 -0.00819335 0.00560928 -0.00368327 0.04098572 0.01672107 -0.06021980 0.01322281 -0.00775189 -0.01149566 +C 4.71819492 5.60845938 5.69731841 -0.00170961 0.00439620 0.00346914 -0.03933569 0.02795806 0.03451731 -0.00907028 0.00247383 0.00558624 +N 6.29331409 7.49541193 6.04471363 0.00829458 -0.00676263 -0.00227023 0.05464978 -0.04756853 -0.00660084 0.00628407 -0.00526910 0.00040506 +C 3.36251560 5.21496993 5.55364889 -0.00617494 0.00385507 -0.00049679 -0.03379557 0.02336946 -0.00902006 -0.00524460 0.00148315 -0.00249954 +H 5.46038242 4.79604193 5.55730105 -0.01021574 0.00492327 0.01545292 -0.01013651 0.11302418 0.01717036 0.01435251 0.00982037 -0.01296328 +C 7.49939725 6.88801795 5.87701114 0.00763604 0.00266791 -0.00188727 0.03987642 -0.03557103 -0.03267138 0.00302134 -0.00919559 -0.00643134 +H 6.37475242 8.47095105 6.14365736 -0.00072494 -0.00658826 -0.01073001 -0.00740630 -0.00979104 -0.03276697 0.00217412 -0.01809970 -0.00025945 +O 7.66151537 5.66145261 5.58009136 0.00091146 0.00033878 -0.00015696 0.00183769 0.02403304 0.00840109 0.00037802 0.00404895 0.00185465 +C 8.76448224 7.69119983 5.90809551 -0.00398955 0.00497535 -0.00077848 -0.01552889 0.03913413 -0.00180479 0.00074037 0.00975609 0.00469812 +H 9.05109527 7.92843365 4.87354593 0.00412938 0.00644350 0.01653686 0.05291715 0.08862024 0.02757616 0.00970723 0.01642988 -0.00856901 +H 8.67766494 8.53581923 6.45200514 -0.02016669 -0.01208193 -0.00530378 -0.19250631 0.15762307 0.05830798 -0.02024551 -0.00306270 -0.01571020 +H 9.56798267 7.18496439 6.34556905 0.00333679 0.02099473 0.01840928 0.01637918 0.05713666 0.11436747 -0.02145310 0.01124983 -0.00072515 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04109970 5.71434643 5.88171728 0.00022171 0.00310277 0.00140233 0.00069780 0.01529856 0.00541244 -0.00010295 0.00358324 0.00092752 +C 2.32868768 6.14341890 5.86564132 -0.00119525 0.00385974 -0.00092322 0.00372815 0.00439505 -0.00045082 0.00356713 -0.00304285 0.00060370 +H 1.02023448 4.79667931 5.54432833 -0.00920825 -0.00326455 -0.00510163 -0.11400227 0.06896676 -0.00367536 -0.02187219 -0.01460922 -0.01074564 +C 2.69521099 7.29973678 6.54789006 0.00037444 -0.00093305 0.00225382 -0.03816659 0.01646688 0.01842872 -0.00769835 0.00182024 0.00037349 +H 3.04972742 4.37037593 4.86429528 0.02759490 0.03309123 -0.01236817 0.15523398 0.04509663 -0.14560092 0.01413155 -0.01419093 -0.01717243 +C 4.00830732 7.71669501 6.57361730 -0.00774916 -0.00760500 -0.00048528 -0.02626684 -0.01987538 0.01006982 0.00054368 -0.00127064 0.00107675 +H 1.94182208 7.97690902 7.01872038 -0.01698456 0.02390660 0.00159723 0.00762699 -0.05093907 -0.04636711 -0.01513496 -0.00697399 0.00744379 +C 4.98105287 7.00749660 5.93703912 0.00841068 -0.00035662 -0.00358772 0.03821852 -0.03311732 -0.03544803 0.00033421 -0.00555413 -0.00385874 +H 4.32475706 8.64231254 7.08985494 -0.01386350 0.00238128 0.01331054 -0.17868192 -0.06945443 0.03840063 -0.02013394 0.00427918 0.01058048 +C 4.64775500 5.79460464 5.26395105 0.00583228 0.00244527 -0.00291032 0.05058240 -0.00028757 -0.00973147 0.00840905 -0.00360474 0.00058887 +N 6.24606407 7.48267141 5.94913753 -0.00289138 0.00503146 0.00352619 0.00818071 0.02605129 0.01903979 0.00483609 0.00456262 0.00219429 +C 3.32026065 5.33265431 5.30898571 0.01320147 -0.00307837 0.00185893 0.07446237 0.00348328 0.00862645 0.00582374 0.00406758 -0.00019475 +H 5.37979737 5.17326297 4.76578972 0.00707845 -0.03870470 0.02510049 0.02313931 -0.10818548 0.16904025 0.00660164 0.00749394 0.01273050 +C 7.42561335 6.85054034 5.84090559 0.00015750 0.00078838 0.00615232 0.00176478 -0.01397675 0.04899191 -0.00090080 -0.00191813 0.00741907 +H 6.34528753 8.45379259 6.11962937 -0.03292936 -0.01785158 -0.01182002 -0.15980549 0.10595274 -0.05285084 -0.00297534 0.00432808 -0.00757155 +O 7.63557983 5.60508131 5.88705040 -0.00699944 -0.00145268 -0.00172054 -0.06131198 0.00872224 -0.01661422 -0.00994891 0.00274334 -0.00270489 +C 8.65030877 7.72850769 5.86484896 -0.00304173 -0.00093172 -0.00703340 -0.00901248 -0.01263385 -0.02502614 0.00172835 -0.00381122 -0.00286938 +H 8.77216275 8.07420867 6.92698103 0.01788941 0.00379829 -0.01619632 0.10458218 0.06670227 -0.13439873 0.01369599 0.01905257 0.00326938 +H 9.50986081 7.11027492 5.70209605 -0.02799303 -0.01967078 0.00328265 -0.06983024 -0.14987404 -0.04794787 -0.00239452 -0.00449107 -0.01558130 +H 8.74128421 8.55688164 5.16462672 0.00563556 -0.01054592 0.01395047 -0.05556041 0.01033586 -0.04760193 -0.02026548 -0.00006151 -0.02263774 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96042630 5.74995886 5.89385706 -0.00016198 0.00387565 0.00596950 0.02006278 0.02799491 0.02800775 0.00397031 0.00364238 0.00184489 +C 2.35807687 5.94608231 5.97547806 0.00012021 -0.00629903 -0.00278471 -0.04339329 -0.03808512 0.01023160 -0.00568951 -0.00284062 0.00527164 +H 0.64510691 5.87926642 5.04089149 0.01437771 0.01540324 -0.01450621 0.08103232 0.06369422 0.01802072 0.00562396 0.00317636 0.01763350 +C 2.88365301 6.16620340 7.23798635 0.00428980 0.00282153 0.00777580 0.01186203 0.01020861 0.01720005 -0.00170479 -0.00089361 -0.00462689 +H 2.70791592 5.98908386 3.84888731 -0.00792621 -0.01577408 -0.02413006 0.01165729 -0.11584756 0.03835248 0.00870157 -0.01448792 0.02086377 +C 4.20537611 6.52360002 7.28526866 -0.00434173 0.00036535 -0.00145708 0.00755128 0.02074503 0.02580979 0.00622095 0.00508277 0.00810066 +H 2.27451953 6.15258622 8.17664451 0.01915167 -0.01468749 -0.01545669 0.03925835 -0.12260676 -0.00174096 -0.01322213 -0.01513240 0.02499838 +C 5.04356304 6.71099632 6.17738598 0.00083359 -0.00230015 0.00185395 0.00288701 -0.03370274 0.01168118 -0.00254486 -0.00738616 -0.00371722 +H 4.59530831 6.72242247 8.26478104 -0.00318470 0.00381110 0.00456734 -0.00136710 -0.00137166 0.02565478 0.00480783 -0.00315034 0.00612215 +C 4.51795694 6.45315557 4.94202781 0.00058379 0.00144201 -0.01241838 -0.01680833 0.00385669 -0.09747212 -0.00323321 0.00038830 -0.01015371 +N 6.40391234 6.90644026 6.46785733 -0.00912367 -0.00407642 0.00136939 -0.04764835 -0.00749833 -0.01245362 -0.00200700 0.00261756 -0.00231088 +C 3.11744038 6.07722388 4.83230482 0.00285506 -0.00271394 0.00334596 0.04141970 -0.01125570 -0.01983140 0.00430697 -0.00187133 -0.00645100 +H 5.15073762 6.53230147 4.07075474 -0.00488679 0.00270778 -0.04079157 -0.13703593 0.00216681 -0.15472964 -0.02076860 -0.00018147 -0.00718188 +C 7.41228281 7.22886136 5.64809720 0.00464766 0.00675097 -0.00035780 0.01637020 0.02423693 -0.02220246 -0.00200182 -0.00096676 -0.00183222 +H 6.70584932 6.86189201 7.41294893 -0.05170332 0.01024303 -0.01129688 -0.27572363 0.04644152 0.09392555 -0.01881677 0.00446847 -0.00491939 +O 7.34242694 7.34034546 4.40232489 0.00225604 0.00217741 0.00036241 0.01004335 0.01851678 0.01424787 0.00075484 0.00324954 0.00227844 +C 8.79911928 7.31996691 6.22084316 0.00143441 -0.00336972 -0.00077428 0.00922440 -0.00663091 0.03481672 0.00160827 -0.00126878 0.00642043 +H 9.55595462 7.24460950 5.44423963 -0.00918043 -0.00926747 0.00969376 0.02909787 -0.10095035 0.03129500 0.00736938 -0.01667207 0.00791240 +H 8.90679787 8.32180390 6.75437419 0.00913827 0.00007887 0.00652284 0.06251109 -0.06599127 -0.08766731 0.01327712 0.02134950 -0.00985521 +H 8.93670192 6.60003138 7.04089597 0.00356284 0.00741322 0.02326066 0.02793380 0.02537046 0.01310587 0.00211843 -0.00888023 -0.00563736 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94555411 5.91910700 5.70495798 -0.00283552 0.00150718 -0.00141348 -0.02084247 0.00974093 -0.00555008 -0.00296753 0.00141943 -0.00024160 +C 2.27462221 6.12744020 5.88801028 -0.00347621 -0.00111797 -0.00101235 -0.01701047 0.00420820 0.03457742 -0.00000512 -0.00004324 0.00755029 +H 0.69701908 5.55375330 4.84380620 0.00571041 0.01924008 0.00786952 0.02988126 0.08196504 -0.05266846 0.00277791 0.00589298 -0.01611957 +C 2.64334438 6.87113447 7.07030457 0.00932847 -0.00344755 -0.00155933 0.07066499 -0.03782493 -0.02539807 0.00926381 -0.00672241 -0.00477328 +H 2.96689325 4.80135149 4.34422915 -0.01299090 -0.01406379 -0.01427057 -0.03156016 0.07006185 -0.02587477 0.00076904 0.01736632 -0.00715690 +C 4.05028158 7.13069714 7.29729724 0.00323383 0.00014318 -0.00148052 0.02354878 -0.00916758 -0.05463348 0.00364575 0.00015306 -0.00908540 +H 1.87628961 7.15653633 7.78204857 -0.00421655 -0.00635258 0.01208276 0.11524857 -0.02166701 -0.02985197 0.02757982 0.00451969 -0.01129751 +C 5.04918088 6.76001312 6.24867536 0.00264039 -0.00283297 -0.00074176 -0.01599635 -0.01815309 0.03038962 -0.00436597 -0.00258347 0.00649734 +H 4.27477908 7.63601359 8.19159915 -0.02338865 0.01277806 -0.01380555 -0.01326649 0.13129419 -0.05936410 0.01520350 0.00353876 -0.02970744 +C 4.63518656 5.90860916 5.19958939 -0.00542277 0.00039565 0.00500547 -0.05098188 0.00511665 0.03403749 -0.00788733 0.00055786 0.00502018 +N 6.37812768 7.13370738 6.39600881 -0.00300719 0.00399540 -0.00438674 0.01277702 0.01924013 -0.04169462 0.00333552 0.00194472 -0.00418321 +C 3.25012168 5.53626423 5.09503345 -0.00320423 -0.00269833 0.00253320 -0.00899399 -0.02459650 -0.00701593 -0.00152728 -0.00182835 -0.00188540 +H 5.36537239 5.59605539 4.44319235 0.00795641 0.01048457 0.01830824 -0.03379694 -0.03295870 0.10885513 -0.00908396 -0.02091563 0.00146618 +C 7.53372658 6.96902435 5.61046775 0.00062423 -0.00407414 -0.00544030 -0.05208153 0.00316710 0.01360864 -0.01079920 0.00599509 0.00761108 +H 6.57798865 7.59605751 7.25184372 0.00914436 -0.01490467 -0.00582917 0.03899233 -0.01563288 0.00212594 -0.00126835 0.00332256 -0.01166294 +O 7.57387591 6.34638402 4.57263702 0.00503545 0.00656950 0.00730136 0.03790240 0.02940388 0.02756603 0.00500415 0.00123703 0.00005973 +C 8.69251000 7.78942850 6.07551865 -0.00383902 -0.00428748 0.00299651 0.00758087 -0.02466303 -0.00046958 0.00367032 0.00097835 -0.00087800 +H 9.60251370 7.22129438 6.34072807 -0.00482436 -0.00750036 -0.02139160 -0.07279509 -0.14274671 -0.10342218 -0.00530593 -0.03177333 -0.00170272 +H 9.02746760 8.36728779 5.25118034 0.01896795 0.02313154 0.00555156 0.02863022 0.11505964 0.09112534 -0.01424579 -0.00563803 0.02128768 +H 8.48583191 8.36819039 6.92279527 0.01188487 0.00699865 -0.02459639 0.00592613 0.14032409 -0.00001975 0.00028343 -0.00387735 -0.00392475 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97325449 5.75971636 5.87360635 0.00159739 0.00437592 -0.00569228 0.00643320 0.01836684 -0.04077566 0.00138321 0.00340655 -0.00492047 +C 2.28053985 6.09752514 5.89583647 0.00145170 0.00123404 0.00721072 0.03317511 -0.01376327 0.03922422 0.00457050 -0.00634151 0.00305265 +H 0.80821576 4.86452180 5.53159026 -0.00736620 -0.00960155 -0.00101148 -0.01633062 0.04109050 0.03104073 -0.00394460 -0.01842907 -0.00440335 +C 2.65446481 7.35316686 6.40392234 -0.00676775 -0.00377671 0.00117485 -0.05434990 -0.02778127 0.01871052 -0.00615217 -0.00059631 0.00507735 +H 3.09504563 4.26646284 4.95496737 0.03231655 -0.01117732 0.00457471 0.13805168 -0.01796593 0.07878184 -0.00523767 -0.00638330 0.00941104 +C 3.95575692 7.76275122 6.38275985 -0.00339255 -0.00061804 0.00277078 0.01134623 0.00631884 0.02307309 0.00231628 0.00247146 0.00436818 +H 1.94720278 7.95080660 6.90913886 -0.01267898 -0.00830622 0.00234226 -0.14225484 0.00521964 -0.07398539 -0.01191265 -0.00299817 -0.02821523 +C 5.07569585 6.95303156 5.97132133 -0.00141426 0.00406922 0.00087552 -0.06193950 0.01907522 -0.01563342 -0.01340332 -0.00029882 -0.00589717 +H 4.10902379 8.77763042 6.69695868 0.01632819 -0.00062710 -0.00017222 0.11121439 -0.02164472 0.06738196 0.00925137 -0.00688407 0.01715066 +C 4.71303780 5.69350495 5.36477714 -0.00230016 -0.00381295 -0.00461787 -0.02073656 -0.01120593 -0.01333254 -0.00476748 0.00226960 0.00189386 +N 6.33090409 7.55579941 6.00096162 -0.00713038 0.00284702 0.00135751 -0.05230758 0.00794649 0.01483203 -0.00567941 -0.00254270 0.00216066 +C 3.33817688 5.23558345 5.41996083 -0.00359716 -0.00064484 0.00092141 -0.00772210 0.00835128 -0.00526854 0.00322070 0.00324407 -0.00155810 +H 5.47778833 5.11026021 4.86345017 0.01424234 -0.01964225 -0.01005757 -0.07667302 -0.07379153 0.04298420 -0.02086836 -0.00504963 0.01616225 +C 7.45570099 6.87660474 5.91412201 -0.00243373 0.00321786 0.01014735 0.00992279 -0.00273526 0.05894734 0.00462331 -0.00279624 0.00554955 +H 6.36528316 8.53819153 6.32445150 -0.00409186 0.01035491 -0.02704964 -0.01157582 0.03138025 -0.25552139 -0.00240056 0.01467406 -0.03694793 +O 7.53626380 5.63167588 5.85283871 0.00572365 -0.00365011 -0.00176055 0.04028934 -0.00275093 -0.00844206 0.00527695 0.00304032 -0.00025409 +C 8.71496704 7.71822953 5.88332901 0.01082480 -0.00088597 -0.00305035 0.07489342 -0.01366183 -0.04433026 0.00764853 -0.00083273 -0.00236887 +H 8.57499881 8.56452421 6.47362559 0.01956830 0.00981042 -0.02403337 0.17367390 0.14875208 -0.12041254 0.03005240 -0.00901913 -0.02528573 +H 9.60810232 7.18218921 6.21626841 0.00475503 -0.01010562 -0.01520678 0.01822733 -0.08859615 -0.01462692 0.00352828 -0.01080637 0.00636757 +H 8.99040380 7.92783835 4.77355679 0.01071510 0.00271922 -0.01384590 -0.02543378 0.03911841 0.08792941 -0.00209881 0.01222667 -0.02268928 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00698745 5.75116006 5.77319919 -0.00030007 -0.00231064 -0.00033828 -0.00754553 -0.01454700 -0.00124906 -0.00118896 -0.00460647 -0.00138583 +C 2.29977912 6.10162999 5.87647731 -0.00196415 -0.00223486 0.00129571 -0.01741858 0.02216895 0.01789193 -0.00262003 0.00721896 0.00325709 +H 0.87073983 4.94369340 5.35001686 0.04634238 0.00485628 0.00629974 0.23206078 -0.06427861 0.00347375 0.01221363 0.01483746 0.01408050 +C 2.65591094 7.40391884 6.33800643 -0.00994792 0.00342735 0.00650580 -0.08005731 0.00605400 0.02656039 -0.00636609 -0.00292671 0.00034014 +H 3.02220023 4.28306787 5.15155879 0.00568120 0.00249792 -0.00034139 0.03044515 -0.07945340 -0.02601472 0.01677510 0.02693917 0.01067888 +C 3.97072558 7.83891451 6.37189136 -0.00362950 0.00225912 -0.00271272 -0.03669197 0.00632879 -0.00445745 -0.00477530 0.00036234 0.00194552 +H 1.76617124 8.11646380 6.58105006 0.01184305 0.00377431 -0.00226467 0.09389455 0.02935882 0.04380772 -0.03184976 0.03397717 0.02561718 +C 4.98530597 6.95900686 6.08450361 0.00704576 0.00376084 -0.00394776 0.03519178 -0.01730336 -0.04613174 -0.00042942 -0.00623970 -0.00796506 +H 4.10942597 8.80975928 6.74467409 -0.00486028 -0.02017479 0.00817112 0.06073116 0.05576291 0.03245696 0.01042125 0.00197344 -0.01234684 +C 4.63098884 5.59559040 5.68667841 0.00241962 -0.00414232 -0.00398537 0.01351163 0.00294223 -0.02128648 0.00464771 0.00451196 -0.00217292 +N 6.29400612 7.45941401 6.10258866 -0.00216266 -0.00099273 0.00121399 0.02444827 -0.01317520 0.00085506 0.00766773 -0.00000746 -0.00009472 +C 3.26039843 5.20746526 5.48864286 0.00188780 0.00380231 -0.00215602 0.04791299 0.02774953 -0.00351093 0.00748071 -0.00010740 -0.00017175 +H 5.32777489 4.79985181 5.51581155 0.00131098 0.00265296 0.01032924 0.09864944 0.04098188 -0.00150740 0.00948875 0.01473770 -0.00996562 +C 7.50200644 6.86382541 5.78097218 -0.00203101 0.00461129 0.00139370 -0.02396709 0.04860560 0.04010241 -0.00169027 0.00323554 0.00753712 +H 6.45601073 8.40972990 6.37208981 0.03368580 -0.01648486 -0.00970942 0.05985680 0.00605083 -0.01331561 -0.02313464 0.00468998 0.00275884 +O 7.60997145 5.70463130 5.51694334 -0.00142676 -0.00026395 0.00354284 -0.00728995 -0.01055845 0.01741423 -0.00098749 -0.00036585 0.00206661 +C 8.78249672 7.74739714 5.99574883 0.00275926 -0.00249592 -0.00798698 0.01088603 -0.03058353 -0.04191760 -0.00026933 -0.00706452 -0.00454576 +H 9.47739312 7.32161427 5.27779587 -0.01158880 -0.02215468 0.00924146 0.02841746 -0.08718798 -0.02808501 0.01335572 0.00519665 -0.01082359 +H 8.64447854 8.81976003 5.71243790 0.00731227 0.00063539 0.02634433 0.03610573 -0.03080594 0.14111121 0.00268159 0.00509012 0.00459567 +H 9.32657988 7.66771343 6.94872782 0.00896330 -0.00803958 0.02234308 -0.14110375 -0.07485745 -0.03015211 -0.03403189 -0.01638797 -0.01292653 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03658273 5.75665352 5.69205790 -0.00004372 -0.00084175 -0.00202847 -0.00093365 0.00539308 -0.01045182 0.00016691 0.00030442 -0.00188667 +C 2.31479686 6.14521895 5.85683687 0.00740370 -0.00120333 -0.00333805 0.02359900 -0.01335229 -0.01824205 -0.00185333 -0.00291501 -0.00224227 +H 0.95671702 4.94017235 5.21930118 0.00433164 0.01379276 0.02140813 0.00046000 -0.07438098 0.07178826 -0.00209913 -0.00235111 0.01457290 +C 2.62641517 7.41838610 6.29987962 -0.00390401 -0.00203585 -0.00173307 -0.00775126 -0.00194785 -0.00159040 0.00273981 0.00303185 0.00196535 +H 3.17456401 4.31241532 5.25515148 0.02096003 -0.02150780 -0.00476119 0.02766590 -0.14527121 0.02251423 -0.00876733 0.01385579 0.01966014 +C 3.95395278 7.79738951 6.50615197 0.00171467 0.01351639 0.00213833 0.01136323 0.06681246 0.00955490 0.00174576 0.00248202 -0.00010776 +H 1.78288052 8.08633507 6.50721665 0.02288534 -0.02569168 0.00130456 -0.01061113 0.00380601 0.06608000 -0.02034210 0.01800566 0.01352575 +C 4.97979809 6.91455957 6.16316902 -0.00010356 -0.00675523 -0.00305917 0.01477135 0.00528056 -0.01926369 0.00205225 0.01047768 -0.00123821 +H 4.19359000 8.79375988 6.89033046 0.01642869 -0.00903893 0.02569044 0.05486711 0.00214496 0.12640851 -0.00339724 0.01304358 0.00662106 +C 4.71768772 5.64036875 5.70697283 -0.00039029 0.00652135 0.00987870 -0.06147952 0.00327651 0.06248465 -0.01345525 -0.00723480 0.00627170 +N 6.25223400 7.43908024 6.09837370 0.00171692 -0.00347817 -0.00192740 0.02489993 -0.02138175 -0.00190624 0.00557722 -0.00094684 0.00192857 +C 3.34021802 5.24783881 5.64981979 -0.00821376 -0.00471416 -0.00213944 0.00490395 -0.04639199 -0.03472164 0.00745506 -0.01008922 -0.00744826 +H 5.47734004 4.94340970 5.41656276 -0.02102063 0.00702345 0.00837085 -0.06051757 -0.02602793 0.03819436 -0.00437513 -0.00401409 0.00946776 +C 7.45790653 6.85655686 5.79790213 0.00163283 0.00857860 0.00533314 0.00835159 0.01400705 0.00595600 0.00045480 -0.00798611 -0.00454902 +H 6.21193181 8.40145833 6.32104369 0.00917169 -0.00188620 0.00433926 0.15562345 -0.01628457 0.04507863 0.02601644 -0.01604888 0.00517358 +O 7.62298518 5.71012743 5.32020781 -0.00250265 -0.00723184 -0.00643245 -0.02173125 -0.01452222 -0.02576806 -0.00357756 0.00434963 -0.00040416 +C 8.71221359 7.71782382 5.99778589 -0.00255871 0.00223265 0.00290516 -0.02112055 0.00306682 0.01915750 -0.00233003 0.00330458 0.00396768 +H 8.93303123 7.53722926 7.03699924 0.01550628 0.02508617 -0.00809218 0.19390602 0.13838797 0.00964545 0.02730011 0.00911876 -0.00590772 +H 9.49298837 7.28296251 5.35502026 -0.00202082 -0.00709272 -0.01874905 -0.06136668 0.11086877 -0.03536912 -0.00666810 0.02818964 0.00051824 +H 8.49976694 8.73889804 5.88487110 0.00297211 0.00346734 0.01257855 0.03974152 0.08235037 -0.02102573 0.00698804 -0.01411603 -0.01378641 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98786856 5.61815746 5.79710730 -0.00161883 0.00035251 -0.00016974 -0.01504170 0.01985893 0.00615201 -0.00047915 0.00526459 0.00112010 +C 2.24742471 6.12712061 5.76925536 0.00159264 0.00069059 -0.00612666 0.01255191 0.03894331 -0.00363351 0.00032335 0.00525668 0.00295441 +H 0.37753339 6.11476532 6.30688890 0.01065413 0.03662729 0.02157373 0.15002707 0.11297310 0.02408893 0.00997386 0.00925088 0.00105827 +C 2.61206715 7.37440671 6.45257097 0.00728292 -0.00527269 0.00103396 0.02447650 -0.05524803 -0.01748781 0.00020492 -0.00638862 -0.00344570 +H 2.97844290 4.33969548 5.01443642 0.00187046 0.01405547 0.01255756 0.06625380 -0.01498069 -0.05274268 0.01255426 -0.01925488 -0.02442134 +C 3.94409564 7.82333141 6.53075997 -0.00020755 -0.00260978 0.00039863 0.01501396 -0.02806636 0.00701373 0.00378934 -0.00451059 0.00165045 +H 1.81892704 7.98538142 6.84946213 0.02064844 -0.00553181 0.00572714 0.09256324 -0.01754566 0.07794984 0.00636257 -0.00722395 0.01025792 +C 5.01125835 6.98438890 6.06930193 -0.00044398 -0.00020569 -0.01122809 -0.00285005 0.00649709 -0.07698829 -0.00132235 0.00479358 -0.00804727 +H 4.12201609 8.73271614 7.01899169 -0.02524930 0.00785053 0.02166975 -0.07977939 -0.00820178 0.07141809 0.00637607 -0.02636213 -0.01125053 +C 4.61910938 5.76061869 5.40856998 -0.00070920 0.00222650 0.00694072 -0.00648888 0.01676359 0.05608451 0.00221966 -0.00293893 0.00530078 +N 6.38778224 7.38871929 6.16852058 -0.00310190 0.00444539 -0.00331725 -0.04844193 0.02192327 -0.02583249 -0.00701389 0.00403568 -0.00395167 +C 3.27573691 5.35443155 5.31329462 -0.00226482 -0.00286551 0.00385852 0.00105539 -0.02540806 0.02547997 0.00286180 -0.00278752 0.00368881 +H 5.32934056 5.07571353 5.11098836 -0.01174717 0.02338923 0.01013485 0.09926424 0.01143613 -0.02786333 -0.00107579 0.01147795 0.00114910 +C 7.55445256 6.79806161 5.90822178 0.00100585 -0.00135716 -0.00316423 -0.01989266 -0.00432868 -0.02223540 -0.00844005 0.00104113 -0.00220939 +H 6.40734237 8.31378863 6.45496469 0.01074617 -0.00485322 -0.00499003 0.12216164 0.07401576 -0.01647451 0.00675896 -0.01688843 -0.01188985 +O 7.71213270 5.59236727 5.67330844 0.00568294 0.00426150 -0.00086521 0.03868552 0.02914503 -0.00648788 0.00506750 0.00302620 -0.00120286 +C 8.68854326 7.79375599 5.81851872 -0.00602813 -0.00826593 0.00679891 -0.03546629 -0.06150341 0.04311652 -0.00227489 -0.00587344 0.00497911 +H 9.30481566 7.48535240 4.97559936 -0.02062269 0.00419897 0.02106099 -0.01820755 -0.00318547 0.00357672 0.01016866 -0.00455948 -0.00907730 +H 8.34871145 8.79779062 5.63605332 0.00790992 -0.01128226 0.00810920 0.02913982 -0.00279469 0.08362465 -0.00155045 -0.00632861 0.01370250 +H 9.31192006 7.64501744 6.71381373 -0.01832593 0.01096649 -0.01558725 -0.02533711 0.10458206 0.06547615 0.00650495 0.00814870 0.02865257 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03207806 5.64333247 5.81454300 -0.00018546 0.00102065 -0.00075990 0.02042756 0.00325439 -0.00822861 0.00430992 -0.00033734 -0.00148425 +C 2.35393330 6.12526258 5.86696586 0.00222604 -0.01207629 -0.00163026 -0.01736604 -0.05245052 0.00395749 -0.00306987 0.00111674 0.00333114 +H 1.06922555 4.74563967 5.61664521 -0.00166931 -0.01997529 0.01375190 -0.08532087 -0.01000250 0.11373617 -0.01994332 0.01304265 0.01811963 +C 2.59458831 7.47105665 6.15507149 0.00740734 0.00890063 0.00210544 0.05305138 0.03713559 -0.01017062 0.00235378 -0.00056165 -0.00534033 +H 3.19390223 4.15274204 5.54400561 -0.00200612 -0.03233455 0.00226392 0.03208901 -0.00722424 0.06994344 0.00523380 -0.00178650 0.00891223 +C 3.95108339 7.91430412 6.20691928 0.00231967 0.00738558 -0.00009854 0.04350494 0.03688747 0.00249974 0.00953852 0.00266677 0.00093111 +H 1.85803580 8.18795110 6.18359353 -0.01964126 -0.00664838 -0.01091903 -0.11317535 -0.03975193 0.02592804 0.02671904 -0.02189770 0.01581503 +C 5.04154313 7.00407265 6.01685741 0.00565139 -0.00249990 -0.00150117 -0.00907438 -0.00443623 0.01103627 -0.00820431 0.00197726 0.00447497 +H 4.21946505 8.93850440 6.43051059 0.02440386 0.00327560 0.01057631 0.04076031 0.02446713 0.02891420 -0.01082811 0.00697312 -0.00247133 +C 4.73145216 5.62801345 5.83442231 -0.00934372 0.00352845 -0.00288009 -0.03784938 0.01255427 -0.01990570 -0.00298940 0.00130993 -0.00350797 +N 6.33572203 7.41034469 6.29791047 -0.00532835 0.00520690 0.00255594 -0.02567117 0.02390998 0.00885184 0.00031124 0.00146357 0.00031258 +C 3.39781192 5.21100632 5.73869800 -0.00020998 -0.00393574 0.00209467 -0.00560055 -0.05646768 0.00536847 -0.00187262 -0.00854381 0.00031802 +H 5.52309858 4.85659539 5.87417149 0.00999903 -0.01144671 -0.03216362 -0.10979770 0.06778268 -0.24128593 -0.01231418 0.00602137 -0.03108962 +C 7.40968913 6.88745278 5.80840382 0.00319961 -0.00646910 -0.00006262 0.02802151 -0.05246509 -0.02377664 0.00199053 -0.00275523 -0.00190687 +H 6.58806815 8.13878090 6.91215729 -0.00533122 -0.01137028 0.00344060 -0.16976440 0.06310261 0.08949073 -0.03850593 0.00207488 -0.00285810 +O 7.45759823 5.94906457 4.97510595 -0.00401743 0.00245055 0.00154193 -0.02611977 0.01752335 0.01052969 -0.00292639 0.00036973 -0.00044235 +C 8.69363490 7.46572878 6.25043289 0.00085725 0.00231037 -0.00053675 0.02082941 0.01082279 0.01607978 0.00507141 0.00099747 0.00231146 +H 8.73671680 7.15833224 7.30809181 -0.02204010 -0.01645723 0.00442344 -0.04344635 -0.01317322 -0.02344546 0.01057109 0.01342563 0.00503378 +H 9.55412855 7.09434668 5.75252163 0.03211720 0.00305267 0.00800728 0.08711574 0.03989737 0.06166433 -0.01792651 0.01161639 0.01397544 +H 8.67345943 8.54158793 6.22587671 -0.01935237 -0.00151364 -0.01741018 -0.09122921 0.02813196 -0.10679649 -0.00286963 -0.00513104 -0.00648847 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99268439 5.69813450 5.89690521 0.00172341 0.00283205 0.00368819 0.00151176 0.00839494 0.02308126 -0.00036243 0.00226090 0.00309894 +C 2.26477038 6.15280184 5.86525529 -0.00408018 0.00572180 -0.00629774 0.01005552 0.04177093 -0.04234880 0.00552879 0.00390123 -0.00564492 +H 0.88697617 4.76339808 5.77591183 -0.00123373 -0.02094823 0.00069783 0.03731845 0.04394817 0.01136968 0.00730517 -0.00516809 -0.00266198 +C 2.61523209 7.41075542 6.36768356 0.00256871 0.00134384 0.00006721 -0.02827886 0.00024287 0.01298063 -0.00486772 -0.00283330 0.00192602 +H 3.13854988 4.43407385 5.07806765 -0.00500595 -0.01376851 0.01440584 -0.05683137 -0.12388245 0.03784173 0.00026647 0.01931848 0.00914264 +C 3.94718609 7.76931012 6.51412484 0.00046987 -0.00590188 -0.00229250 0.00647338 -0.00783709 -0.02088629 -0.00015208 -0.00034927 -0.00526216 +H 1.75366391 8.02565343 6.74598629 -0.03567096 -0.01184832 0.01390805 0.05091962 -0.09451574 0.02103023 0.00722006 0.01591769 0.01153979 +C 5.01038321 6.95225797 6.00717042 0.00036447 0.00297898 -0.00400089 0.00436470 0.00957595 -0.02782055 0.00157078 -0.00020581 -0.00364478 +H 4.01252770 8.80875220 6.96327972 -0.01754366 0.00597441 -0.00481016 0.08469379 -0.10898579 -0.06411070 0.04216604 0.01098726 0.00793000 +C 4.67407661 5.68561203 5.44439686 0.00463334 -0.00393598 0.00196772 0.04693482 -0.00490603 0.01855100 0.00413912 0.00180233 0.00290459 +N 6.32804682 7.41845813 6.04872037 -0.00191632 0.00454282 0.00211769 -0.00887048 0.01923429 0.01325535 -0.00047810 -0.00133740 0.00099127 +C 3.33372459 5.36880315 5.41194372 0.00418216 0.00072752 0.00359109 0.00255067 -0.03566834 0.01712669 -0.00277186 -0.01226818 0.00056181 +H 5.45367790 5.01504973 5.09092713 0.00976218 -0.02837118 -0.01804046 -0.10059596 -0.06267479 -0.04509681 -0.01424399 0.00412170 0.00368547 +C 7.51001769 6.77284110 5.87268061 0.00211176 -0.00879361 -0.00659034 -0.00370463 0.01353897 -0.03522067 -0.00399035 0.01183138 -0.00317158 +H 6.41640000 8.43876121 6.19376013 -0.01645685 0.01004024 0.01804897 -0.06912652 -0.04834179 0.15023135 0.00259671 0.00313042 0.02764466 +O 7.67183013 5.62716972 5.51218181 -0.00282147 -0.00262549 -0.00209997 -0.01280609 -0.03189569 -0.01505634 -0.00093569 -0.00519215 -0.00204226 +C 8.67296224 7.78970515 6.02084879 -0.00582530 0.00629540 0.00733644 -0.01932955 0.01728746 0.02459637 -0.00125910 0.00014629 0.00059585 +H 8.77230890 8.10158974 7.07866458 0.01295864 -0.00245493 -0.00107293 0.07094067 -0.00400098 0.00465913 0.00398254 -0.00224045 0.00938578 +H 9.65169764 7.41587022 5.64218692 0.02113569 -0.01187487 -0.00655214 -0.12184035 -0.03093634 0.07701379 -0.02097501 -0.01050574 0.01393504 +H 8.39572127 8.61190002 5.36289066 0.02338671 0.02548186 0.00288320 0.17986017 0.12992872 0.12728271 0.02040606 0.00542244 0.02868480 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96725657 5.90135281 5.91312034 -0.00766791 -0.00673174 0.00144838 -0.03052303 -0.05146395 0.01728732 -0.00098433 -0.00664426 0.00158775 +C 2.34215760 5.96303843 5.92910538 0.00461335 0.00445164 -0.00267568 -0.01709703 0.02612225 0.00194826 -0.00993310 0.00257102 0.00424708 +H 0.51876944 6.35603589 5.20725272 0.01485839 -0.01317427 0.01316729 0.04290672 -0.02907889 -0.04406183 0.00454854 -0.01044382 -0.00196366 +C 3.03245698 5.78286095 7.12473676 -0.00577631 0.00565940 0.00005508 -0.02954069 0.04003275 0.02382208 -0.00237244 0.00567355 0.00573164 +H 2.51977801 6.51050582 3.87530180 0.01349938 -0.01385418 0.01503096 0.00708758 -0.07883917 -0.04866777 -0.00386014 -0.00916516 -0.01578588 +C 4.41904066 6.01049266 7.24466544 -0.00167970 -0.00649294 -0.00337659 -0.02061058 -0.04057710 -0.02370342 -0.00482283 -0.00356051 -0.00784043 +H 2.45625708 5.56909646 8.01927781 0.00796150 0.01635763 0.00361323 0.00652326 0.07777374 0.05221927 -0.00886724 0.00491681 0.01079638 +C 5.10908321 6.31768864 6.09040523 0.00276748 0.00660123 0.00184481 0.03898978 0.06415163 0.00410337 0.00512617 0.00973426 0.00029834 +H 4.97597959 6.00567150 8.25703838 0.00909833 0.01576133 -0.01831491 -0.05860048 0.00921863 -0.12996768 -0.00017214 -0.01573719 0.03187889 +C 4.40161562 6.48285037 4.85217860 0.00311867 0.00172250 0.00527313 0.03954329 0.01091962 0.02449023 0.00678143 0.00126877 0.00257662 +N 6.48321221 6.61744920 6.32566503 0.00160822 -0.00374959 -0.00434772 0.01480155 -0.02908238 -0.03309345 0.00321820 -0.00409491 -0.00414438 +C 3.03537441 6.33107187 4.80433750 -0.00037879 0.00037420 0.00138366 0.00577265 0.00286346 -0.00217920 0.00252494 0.00048241 -0.00307373 +H 4.80271632 6.73009220 3.85776649 0.00239958 -0.01736132 -0.00704415 0.15743602 -0.06691011 0.10921272 0.04292323 0.00317626 0.01684475 +C 7.41361667 7.35211085 5.71010895 0.00241968 0.00557053 0.00007309 -0.02264882 0.05275222 -0.02648717 -0.00636004 0.00568099 -0.00402928 +H 6.85786055 6.43955399 7.24343218 -0.01544978 -0.01426617 -0.01560987 -0.08417671 -0.24712591 -0.03506700 -0.00306031 -0.04480139 -0.01294276 +O 7.05176348 8.21951070 4.86940083 0.00067377 0.00166443 -0.00003098 0.01661841 0.00145737 0.00262115 0.00328123 0.00056833 -0.00077159 +C 8.85159212 7.23270705 6.13809520 0.00133360 -0.00371996 -0.00122824 -0.00127358 -0.00795890 0.02140243 -0.00182164 -0.00009218 0.00488379 +H 9.26365277 6.23947404 5.98402322 -0.00748625 0.01288093 0.00929370 0.00041302 -0.03942329 -0.00639721 -0.00281812 -0.01213858 -0.00579102 +H 9.45000266 8.05302156 5.72554068 0.01482769 -0.01864367 0.00243186 0.12267424 -0.14055667 -0.02625375 0.01502368 -0.01529852 -0.00465384 +H 8.84621120 7.41854663 7.21308738 -0.02752009 -0.00397264 0.01927257 -0.09745144 -0.05439357 -0.00593073 0.00471872 -0.00643369 -0.00704012 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.07083722 5.65973331 5.58351295 -0.00348312 0.00074161 0.00175618 -0.03473307 -0.00234288 0.02047090 -0.00351397 -0.00257683 0.00526652 +C 2.35131858 5.88450895 5.94556802 0.00330513 -0.00038226 0.00043966 0.01580476 0.00408428 -0.00228808 -0.00023265 0.00220865 -0.00182971 +H 0.48040712 6.38096853 5.29543937 -0.00078838 0.00820038 -0.03296377 0.17160887 -0.02200895 -0.18125330 0.02314965 0.01311918 -0.03472090 +C 3.18739665 4.93428531 6.58563269 -0.00134875 -0.00542897 0.00418452 -0.00367785 -0.02006197 0.00813297 -0.00002721 -0.00052239 -0.00156202 +H 2.23315851 7.81121391 5.11998729 0.00943027 0.01241500 -0.00480895 0.04318037 0.11775298 -0.07792539 0.01993252 -0.00108015 -0.00065951 +C 4.56839718 5.26778259 6.63866294 -0.00169799 0.00283839 -0.00601103 -0.00895632 0.00054025 -0.01301199 -0.00114903 -0.00279517 0.00232302 +H 2.83089053 3.98445409 6.89603357 -0.00317504 -0.01174496 0.01305807 -0.01709428 -0.01549047 0.08966663 0.00249811 0.01893697 0.00656691 +C 5.09382736 6.48689881 6.16476559 0.00388492 -0.00391983 -0.00713990 0.01153236 -0.04463021 -0.05325010 -0.00125060 -0.00803507 -0.00798810 +H 5.24906517 4.56739484 7.12106280 0.00396240 0.02255410 0.01949808 -0.01572179 0.09647033 0.06446246 -0.00191429 -0.00549052 0.00309701 +C 4.21952654 7.38241041 5.58979875 -0.00360186 -0.01145775 0.00384343 -0.00551433 -0.03417922 0.01165866 0.00242964 0.00113734 -0.00021777 +N 6.45367075 6.61847161 6.19157254 -0.00159266 0.00204081 -0.00030355 -0.00991817 0.00668866 0.00504470 -0.00004595 -0.00041304 0.00225918 +C 2.86454702 7.09783082 5.53189846 0.00834506 0.01019521 0.00019181 0.02709447 0.05768562 -0.00075065 -0.00422285 0.00504530 -0.00104846 +H 4.58237273 8.32818032 5.14635925 -0.03383412 0.00118487 0.00178846 -0.14783643 -0.03041052 0.06152933 0.00909289 0.01190102 0.00543252 +C 7.34033931 7.49093859 5.74574233 -0.00056400 -0.00124517 -0.00158518 0.01322626 -0.01501542 -0.01233288 0.00284189 -0.00318170 -0.00182832 +H 6.88022284 5.78454196 6.57773670 -0.01316056 0.01950166 0.02280615 -0.01503082 0.11617278 0.20079466 0.00625043 0.01538249 0.02871788 +O 7.15825531 8.47811988 5.05384393 0.00086913 -0.00219229 0.00264913 -0.00258566 -0.00700330 0.01560241 -0.00152308 0.00028403 0.00150583 +C 8.75309426 7.04299250 6.09624573 -0.00107564 0.00200151 -0.00196521 -0.00578079 0.02430098 -0.00473528 0.00332361 0.00652892 -0.00136377 +H 8.63361332 6.45645232 7.03871512 -0.00781689 -0.00654307 0.00359869 0.10854915 -0.05815685 -0.11177530 0.03082833 -0.01754672 -0.01553621 +H 9.13230431 6.54391819 5.23821719 0.02495331 0.02061510 -0.00358117 0.16157408 0.03099171 0.01893791 0.00755873 0.00431928 0.02222343 +H 9.42613084 7.81496682 6.28662076 -0.00230218 0.01664600 0.01072583 -0.08014237 0.14508626 0.08621847 -0.03721953 -0.00200876 0.00703650 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99596105 5.72984300 5.90050203 -0.00266874 0.00191955 -0.00262115 -0.02429675 0.00578088 -0.01096225 -0.00339778 -0.00030571 -0.00336599 +C 2.32303870 5.92740216 5.95002140 -0.00393710 -0.00318823 -0.00533907 -0.00081287 -0.00114248 -0.05615305 0.00293105 0.00212716 -0.00770450 +H 0.56959856 5.60952275 5.05701812 0.04383828 0.00174610 0.00047415 0.24228806 0.01966666 -0.12854080 0.02139673 0.00570032 -0.00370402 +C 3.05113805 5.54746152 7.08363295 0.00402098 0.00416656 -0.00435655 0.01226920 0.03037292 -0.04184282 -0.00224426 0.00092012 -0.00246331 +H 2.37202360 6.99352655 4.02950783 -0.02435104 0.00396895 0.00260127 -0.01327089 -0.02483499 0.04420153 0.01591533 -0.00368748 -0.00050926 +C 4.36219193 5.99421689 7.20274884 -0.00190057 -0.00255763 0.00880479 0.01576378 -0.00786337 0.07557923 0.00566902 0.00103500 0.01023047 +H 2.58015939 5.01427217 7.79525651 0.02328666 -0.00292036 -0.00350674 0.06960866 -0.05921022 0.09372234 0.01434790 0.02114454 -0.02118448 +C 5.05431210 6.74062592 6.24007096 0.00856424 0.00319754 0.01116784 0.03429015 -0.00740375 0.04944585 -0.00109661 -0.00576520 0.00121799 +H 4.89590699 5.77264003 8.12479235 -0.01581138 -0.01034185 0.01688270 -0.11200938 -0.10221990 0.09690471 -0.00679922 -0.01640519 0.01636970 +C 4.36233023 6.98168845 5.01733019 -0.00803510 -0.00942272 -0.00334046 -0.03122010 -0.04088050 -0.00067527 0.00245183 -0.00184631 0.00661713 +N 6.42453792 6.98052220 6.52497800 0.00695274 -0.00031613 0.00064940 0.03174613 0.00806933 0.00375319 0.00139334 0.00263807 0.00033041 +C 2.96332954 6.62987781 4.86586394 0.00143508 0.00205977 -0.00128273 0.00036396 0.00772205 0.01275163 -0.00217842 -0.00030866 0.00390396 +H 4.83919492 7.56100608 4.23612030 0.00908231 0.02079996 0.01324608 -0.01695313 0.01805854 0.09074494 -0.01186383 -0.01224877 0.00030063 +C 7.41314231 7.23081333 5.63920511 0.00219619 0.00532011 0.00325167 0.01260071 0.02347739 0.00664034 0.00058678 0.00068590 -0.00412287 +H 6.70405955 6.95036269 7.49059708 -0.00362208 0.00823805 0.02007190 -0.02239347 0.04806531 -0.00411090 0.00485172 0.00498955 -0.00863223 +O 7.32883283 7.21021266 4.42081241 -0.00389982 0.00037266 -0.00549956 -0.03312945 0.00475249 -0.02865226 -0.00514211 0.00116722 -0.00120066 +C 8.77369399 7.47917021 6.23428851 -0.00059054 -0.00215010 -0.00094051 -0.00228444 -0.03403211 -0.00795763 -0.00087924 -0.00305890 -0.00208022 +H 9.27468836 6.50776163 6.49672324 -0.00756121 -0.01327854 0.01514958 -0.08241538 0.01908243 0.02628680 0.00056958 -0.00858602 0.00330917 +H 9.34473921 7.98398036 5.46191973 -0.01620631 -0.00233092 -0.00532146 0.00494959 0.03049766 0.02158226 0.01462297 0.00029869 0.01276722 +H 8.67142444 8.01321900 7.19695905 -0.02190365 -0.00719105 -0.03463763 -0.08766576 0.12606861 -0.11445636 0.00070197 0.03246934 0.00246200 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98572484 5.74475218 5.92260728 -0.00717786 -0.00128064 -0.00197614 -0.05901811 -0.01684362 -0.02187100 -0.00711060 -0.00199376 -0.00413664 +C 2.25674282 6.13104181 5.81614891 0.00131627 0.00077832 0.00068666 0.01937032 -0.01167918 0.00927435 0.00028658 -0.00469806 0.00239378 +H 0.75276972 4.90279116 5.60437033 -0.00683542 -0.02526627 -0.00130107 0.03402910 -0.03964839 0.03651845 0.01007782 -0.00227529 0.00695390 +C 2.62499142 7.40322522 6.24320856 0.00490710 -0.00641735 0.00007807 0.01333541 -0.01853045 0.00665623 -0.00111719 0.00352541 0.00249968 +H 3.10803972 4.20920843 5.17646344 0.00689982 0.00121457 -0.01998885 -0.01823034 0.04708564 -0.07733156 -0.01226589 0.00352748 -0.00271675 +C 3.94888359 7.83380776 6.38267903 0.00156035 0.00307418 0.00090904 0.01068301 -0.00297422 -0.00248819 0.00027088 -0.00414086 -0.00200808 +H 1.77849435 7.99609685 6.45202000 0.01474215 0.01169457 -0.00635433 0.11220016 0.14846903 0.03055367 0.02318380 0.00901226 0.00874778 +C 4.97586960 6.91153780 6.03360142 0.00144170 -0.00167252 -0.00164953 -0.00026365 0.02256504 -0.01446871 -0.00076322 0.00698194 -0.00194238 +H 4.14392061 8.84505626 6.75953659 -0.02040652 0.00311281 -0.00412470 -0.07266000 0.01522387 -0.05793597 0.00554737 0.00597679 -0.00811406 +C 4.63480662 5.63825728 5.57273365 -0.00067265 0.00429351 -0.00283331 0.00489423 0.00695566 -0.00830377 0.00056629 0.00026583 0.00058794 +N 6.25423613 7.44176569 6.02068523 -0.00590429 -0.00103311 0.00723619 0.01138501 -0.00140854 0.06275059 0.00864716 0.00004658 0.00918252 +C 3.28522511 5.23652518 5.47704616 -0.00147351 0.00100413 0.00276064 0.00441459 -0.00450836 0.00892876 0.00344192 -0.00197332 -0.00051020 +H 5.42493285 4.86760017 5.47629921 0.02332957 0.01577316 0.00020151 0.02788794 0.15263486 -0.13400471 0.00116327 0.00249225 -0.03967468 +C 7.52088632 6.90844653 5.82468469 0.00521394 0.00048990 0.00601369 -0.00036899 -0.00960818 0.04623649 -0.00452220 -0.00369296 0.00705188 +H 6.26642957 8.35927771 6.49117864 -0.01081547 0.01316839 -0.02233233 -0.02788692 0.07613032 -0.24285131 0.00487845 0.02049081 -0.03460650 +O 7.70506175 5.72281919 5.59754313 -0.00591511 -0.00363340 0.00013553 -0.04511649 -0.02489198 -0.00201311 -0.00660581 -0.00270116 -0.00035182 +C 8.80870813 7.70639573 6.01078662 0.00757500 0.00328811 -0.00834567 0.03648801 0.01455658 -0.02749069 0.00328397 0.00302609 -0.00706976 +H 8.96058202 7.76173300 7.16618822 0.02975228 0.01190255 0.00675242 0.17734334 0.14396575 -0.22325671 0.02769333 0.02969321 -0.00188132 +H 9.55829227 7.06051448 5.61093423 0.01117044 -0.00886391 0.00428715 0.13327349 0.05879125 -0.01672831 0.00694634 0.03170775 -0.00411650 +H 8.74555895 8.61630138 5.51907798 0.00527662 0.01196457 -0.00011458 0.07349460 0.11775483 -0.02643386 0.01308047 -0.01834312 0.00710025 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03787166 5.64216354 5.99000052 -0.00256505 0.00111113 0.00345884 -0.02769361 0.00842484 0.01957151 -0.00583352 0.00180970 0.00112156 +C 2.33969927 5.98592104 5.94821508 -0.00602912 -0.00250101 0.00279341 -0.01828732 -0.01479695 0.02959698 0.00105504 -0.00168176 0.00496047 +H 0.48304825 5.92585321 5.26297044 0.01311184 -0.00270609 0.01795538 0.02503475 0.04773080 -0.02680694 0.00306542 0.00877575 -0.00879728 +C 3.00505340 5.58443936 7.09731115 -0.00192596 -0.00440939 0.00268499 0.00298339 -0.02422515 0.02406797 0.00206682 -0.00162569 0.00234034 +H 2.38308893 6.85112665 4.01755344 -0.00777543 0.01857609 -0.00044721 0.13018149 0.16490696 0.05934141 0.01417266 0.03013634 -0.01291190 +C 4.36938710 5.87399455 7.18363774 -0.00262084 0.00686065 -0.00549038 -0.00998502 0.03159547 -0.01644332 -0.00214810 0.00152176 -0.00178450 +H 2.54658188 5.09676624 7.95393826 -0.00734949 -0.01238446 0.00427518 -0.05929705 -0.06462490 -0.05732677 -0.00656276 -0.00927348 -0.01033683 +C 5.01685228 6.51224490 6.11443108 -0.00321802 -0.00639456 -0.00211582 0.02097384 -0.02748061 -0.03662654 0.00803352 -0.00107924 -0.00771507 +H 4.98698753 5.63832800 8.08693238 0.00870807 -0.03089342 -0.00235057 -0.10409141 -0.15015504 -0.13321932 -0.00993172 -0.01621632 -0.00049318 +C 4.40110176 6.83946841 4.90478842 0.00572232 0.00019507 -0.00415089 0.01691150 0.00266819 -0.01576994 -0.00076801 0.00068303 -0.00143622 +N 6.37809848 6.71554771 6.26816371 -0.00609558 0.00158867 -0.00391228 -0.00701117 0.01416613 -0.00468019 0.00449245 0.00281564 0.00191625 +C 3.03977752 6.66143045 4.90236961 0.00730105 -0.00118616 0.00179202 -0.01956586 -0.03013686 -0.00285655 -0.00869936 -0.00684209 0.00030428 +H 4.80566237 7.25320778 4.01157487 0.00154490 0.00096472 0.00199144 0.15963065 0.04877729 0.02929153 0.02482615 0.00431234 0.02010220 +C 7.38154567 7.42002238 5.68825457 0.00591862 0.00455245 -0.00055839 0.02921341 -0.01595281 -0.00445107 0.00042929 -0.00809703 -0.00156754 +H 6.76835517 6.20445444 7.05289845 -0.00792785 0.01567714 0.01043931 -0.10005300 0.11264382 0.06674130 -0.01295126 0.01049195 0.01744312 +O 7.27344336 8.02687338 4.64634243 0.00453718 0.00007949 0.00015067 0.02946605 0.01244033 -0.00591686 0.00413802 0.00304275 -0.00141091 +C 8.81279419 7.16163428 6.28528471 -0.00237303 0.00045117 0.00015093 -0.03053409 0.01494459 0.01519825 -0.00347846 0.00474905 0.00031185 +H 8.96025798 8.14310030 6.78641969 -0.00017141 0.01039705 0.00359413 0.10215306 -0.07304861 0.01530663 0.02411885 -0.01072092 0.01241527 +H 8.87969424 6.31295711 7.04658210 0.00271320 -0.01401690 0.00426092 -0.06035617 0.07110713 -0.07754037 -0.01708509 -0.00200090 0.00462538 +H 9.54390555 6.95613397 5.53475558 0.01748115 0.00238881 0.01567197 0.07487132 0.06990498 0.05931580 -0.01335290 0.01577189 0.01056782 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04257446 5.69768362 5.87169114 -0.00147417 -0.00117742 0.00020542 -0.01428029 -0.02118528 0.00374144 -0.00230425 -0.00444197 0.00037352 +C 2.36858739 5.94660752 5.71205023 -0.00366275 -0.00070772 0.00044854 -0.03372301 0.00031966 0.01195688 -0.00412913 0.00114413 0.00019712 +H 0.81122990 5.28940857 6.67826676 0.03472235 -0.01151930 0.02842980 0.21506791 0.02045056 0.03291227 0.01600489 0.00797206 -0.00255891 +C 3.00374453 5.98062543 4.48133747 0.00049942 -0.00377102 0.00167743 0.00723556 -0.00015474 -0.00225325 -0.00020296 0.00293470 -0.00313345 +H 2.53356927 6.36608558 7.80586438 0.00760371 -0.01260879 -0.00379973 0.00237412 -0.02298397 0.00259956 0.00360303 0.00746741 -0.01468170 +C 4.34940239 6.43340361 4.40197205 0.00218195 -0.00437957 -0.00211112 0.02496925 -0.05287942 -0.00116259 0.00427928 -0.00833813 -0.00013768 +H 2.42642705 5.88377735 3.60647654 -0.00462830 0.02144408 -0.00134783 -0.01143532 0.01796806 -0.03758338 0.01198647 -0.01351163 0.00707156 +C 5.12807841 6.62383358 5.59916079 -0.00193668 0.00351782 -0.00151100 -0.05513294 0.04797828 -0.01722503 -0.01040221 0.00952110 -0.00263878 +H 4.81881720 6.38648226 3.44552269 0.01305438 0.03756624 0.00014292 0.04120760 0.27343928 0.00869970 -0.01016930 0.02462218 0.01517693 +C 4.35496085 6.73610075 6.80063515 0.00024370 0.00128004 0.00143845 0.02036615 0.00124716 0.00495282 0.00501605 -0.00024671 0.00343010 +N 6.42155313 7.06166931 5.44990345 -0.00134103 0.00019461 0.00029773 -0.01996708 -0.00739930 -0.00563290 -0.00328625 -0.00115588 -0.00198209 +C 3.01689049 6.35630294 6.87147800 -0.00009093 0.00421015 -0.00739401 0.00851807 0.02164563 -0.04028440 0.00142965 0.00178873 -0.00090995 +H 4.79685825 7.10296092 7.65607939 -0.01902409 -0.01421778 0.01464216 -0.01840855 -0.08795075 0.15469324 0.00252144 -0.02065894 -0.01336053 +C 7.38050711 7.18470044 6.32467189 0.00344260 -0.00314326 0.00102959 0.01687085 -0.02821938 0.01444390 -0.00023276 -0.00495687 0.00118060 +H 6.70270545 7.07669096 4.49982852 -0.00561827 0.03999848 -0.00051088 -0.01614101 0.27953591 0.01483421 -0.00672633 0.02954663 0.01942167 +O 7.30129018 7.06980099 7.55970291 0.00537043 0.00476293 0.00097057 0.03571678 0.03317908 -0.00012317 0.00461727 0.00441951 -0.00024340 +C 8.67983716 7.39258895 5.62948237 -0.00541515 -0.00549267 0.00101165 -0.00589543 -0.03206463 0.01242347 0.00261249 -0.00175023 0.00057213 +H 9.35956325 6.50978635 5.76824767 -0.00454785 -0.00572914 -0.01746589 -0.06322665 -0.01513876 -0.10548486 0.00148229 -0.01963888 -0.00893918 +H 8.65149010 7.67285451 4.60150207 0.01442354 0.01415426 0.00590750 0.01177561 0.07915346 0.00491674 -0.01160052 0.00502711 0.01492077 +H 9.12372599 8.26741812 6.13993926 -0.02273806 -0.02758242 0.01566854 -0.02391596 -0.13004312 0.14958785 0.02126790 -0.00555993 0.02558431 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01944608 5.73645843 5.83271151 0.00042467 -0.00047984 -0.00260420 0.00002837 -0.01837286 -0.02119787 -0.00078874 -0.00504478 -0.00335156 +C 2.32862468 6.04803535 5.85961481 -0.00118312 0.00044894 -0.00176053 -0.01374566 0.04415943 0.01321686 -0.00368922 0.00865622 0.00411865 +H 0.95689648 4.84196136 5.67931484 0.00201742 -0.00841058 -0.00738410 -0.04749207 -0.02407950 -0.05541877 -0.01053104 0.01757599 -0.00553020 +C 2.61909911 7.36052185 6.40904179 0.00288473 0.00164425 -0.00402849 0.00139479 0.00064928 -0.02965103 0.00043406 0.00126213 -0.00238696 +H 3.24907648 4.20516688 5.10092886 0.00472607 -0.00588644 -0.00640394 -0.09954062 -0.03593006 -0.05579927 -0.03368371 0.01265007 -0.00140739 +C 3.92125069 7.81317183 6.44014414 0.00452978 0.00483890 0.00504957 0.05060200 0.02984300 0.03091582 0.00675651 0.00238020 0.00306983 +H 1.85206754 8.01862110 6.72950039 -0.01245942 0.01981904 0.03636104 0.04175706 -0.05364092 0.10482698 0.01831800 -0.03010681 -0.01093106 +C 5.02275000 7.01763702 6.00121436 0.00199435 0.00080544 0.00634751 -0.00766221 -0.02079485 0.02673188 -0.00261146 -0.00765084 0.00049565 +H 4.07592608 8.81821326 6.81553357 0.00204600 0.00162935 -0.00895463 0.05779922 0.05432550 -0.01996030 0.01458755 0.00996512 0.00514385 +C 4.64596468 5.70291676 5.50424434 -0.00579427 -0.01177805 0.00111068 0.00654840 -0.04890711 0.00685187 0.00295411 -0.00013039 0.00194141 +N 6.33396232 7.57759820 6.00549688 0.00518946 -0.00029453 -0.00442345 -0.00354512 -0.01841377 -0.02771062 -0.00493172 -0.00180302 -0.00249779 +C 3.36921645 5.19238302 5.46080857 -0.01273661 -0.00435958 0.00152519 -0.07917677 -0.02359532 0.00915711 -0.00616201 -0.00243658 0.00047377 +H 5.40027555 5.04169411 5.07183841 0.01927568 0.00482596 -0.03047368 -0.03630569 0.05999163 -0.09169771 -0.01068557 -0.00469716 -0.00319480 +C 7.44991499 6.87025210 5.84907207 0.00218712 0.00615038 0.00156300 0.04747702 0.05077403 0.00857058 0.00800284 0.00221672 -0.00015551 +H 6.33964629 8.55912444 6.15371767 -0.00414343 -0.01885813 0.00420206 0.08243579 0.00820383 0.05576266 0.01844086 -0.00869431 0.00414454 +O 7.47777167 5.69262425 5.63857423 -0.00035789 -0.00136987 -0.00024255 0.00792875 -0.01376734 -0.00050499 0.00305241 -0.00011269 0.00050697 +C 8.82243371 7.64441820 5.96907909 0.00280508 0.00157390 -0.00135697 -0.01504402 -0.00706529 0.01523659 -0.00332404 0.00115940 0.00185137 +H 9.17542955 7.43878647 6.98836388 -0.00294463 0.03214490 0.01768212 0.01529312 0.19726765 0.00256569 0.01166625 0.01485236 -0.00819468 +H 9.48240224 7.14661131 5.29871936 -0.01479683 0.03567904 -0.00773568 0.06998979 0.21146817 -0.14562053 0.00833038 0.02740820 -0.00143046 +H 8.72901920 8.69749728 5.83868272 -0.00358589 -0.01943881 0.00867084 -0.04650557 0.04975417 -0.03065270 -0.01197211 0.00293828 -0.01084682 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95231771 5.98296440 5.81815217 0.00376047 -0.00007269 0.00463763 0.00773555 -0.00190682 0.02110744 -0.00194000 -0.00055046 0.00319699 +C 2.29956064 6.05642206 5.98561585 -0.00901662 -0.00108376 -0.00401233 -0.03003802 -0.00597668 -0.03389171 0.00435279 -0.00031153 -0.00356095 +H 0.67987680 5.98057861 4.90914725 0.00491582 0.01069392 -0.01947007 0.06505527 0.05734972 0.04677076 0.00011211 0.00660172 -0.00405656 +C 2.85742613 6.34503995 7.24170059 0.00096916 0.00401279 -0.00375681 0.01854847 0.02928696 -0.02438633 0.00124929 0.00459841 -0.00195599 +H 2.88725361 5.73733089 3.86854543 -0.01621558 -0.00199562 -0.00044419 -0.22062106 -0.05248726 -0.03172317 -0.01292861 -0.00457076 0.03549020 +C 4.26883433 6.59922910 7.35327868 -0.00040407 -0.00319985 0.00630780 -0.02502994 -0.02642643 0.03937384 -0.00307380 -0.00397941 0.00370214 +H 2.21822697 6.38914086 8.09293314 0.02954146 0.02715879 0.00951500 0.12095130 0.20411624 0.05749430 0.00635656 0.02251843 -0.01211008 +C 5.09476966 6.46594818 6.25233010 0.00273425 -0.00097415 0.00414705 -0.00093991 -0.01320475 0.00315034 -0.00573452 -0.00267696 -0.00149544 +H 4.64851757 6.94373431 8.29630124 -0.00437524 -0.00353480 -0.00334928 -0.00166408 -0.03324516 0.06357861 -0.00305898 -0.00944950 0.00991887 +C 4.54363254 6.04089438 5.02865211 -0.00572707 0.00281108 0.00240995 -0.04360526 0.03261418 0.00226021 -0.00144805 0.00653383 -0.00403842 +N 6.40918333 6.85275593 6.36846358 -0.00453890 -0.00074283 -0.00354813 -0.02685596 -0.00045129 0.00515565 -0.00139598 0.00014211 0.00316886 +C 3.12184376 5.91522359 4.84880482 0.00112351 -0.00631300 -0.00499109 0.02160518 -0.04125301 -0.01066245 -0.00158186 -0.00609198 -0.00179853 +H 5.10096221 5.98151435 4.15509034 0.00020697 0.02176720 -0.00005909 0.05884964 0.10071825 -0.00026127 -0.00702350 0.00568040 0.02211771 +C 7.38733084 7.20847149 5.55267231 -0.00066081 -0.00697404 0.00343926 0.02902162 -0.03414748 0.04216519 0.00733191 -0.00196367 0.00283704 +H 6.60730323 7.08060051 7.35494030 0.01329607 -0.01283169 0.00040587 0.10521168 -0.13669941 -0.05312754 0.01462153 -0.02048673 0.01344612 +O 7.44514722 7.24233775 4.38383635 0.00872851 0.00263079 -0.00239317 0.04242778 0.01133660 -0.04082142 0.00320866 0.00028330 -0.00607283 +C 8.65690807 7.60685758 6.30489618 -0.00017158 0.00243582 -0.00166839 -0.00073658 0.02726846 -0.02023020 0.00001489 0.00507158 0.00115674 +H 9.40209639 7.96406588 5.58705587 -0.00646976 0.03108281 -0.01045249 -0.09375622 0.18115466 -0.00094235 -0.01108194 0.01532830 0.00645227 +H 8.49752033 8.34614249 7.01696226 0.00732731 0.00210929 0.02218862 0.01795711 -0.02710995 0.13050296 -0.00204416 -0.02959301 -0.01246030 +H 9.13032030 6.72545055 6.68406281 -0.03048311 0.00590850 -0.00700151 -0.10353005 -0.05781530 0.05543097 0.00107454 0.00217303 0.00421950 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.93910893 5.78599290 5.81533236 -0.00606744 -0.00057191 0.00387726 -0.00205165 -0.00401885 0.02731108 0.00306053 -0.00123117 0.00277172 +C 2.35175760 6.01287371 5.95737250 0.00016749 0.00064099 -0.00131654 -0.06201095 0.00121413 -0.02926412 -0.01177312 0.00077322 -0.00458397 +H 0.78064545 5.42625436 4.99354344 -0.01930314 0.00114950 -0.00353445 -0.15157371 0.04313316 0.03039187 -0.01569571 0.01818398 0.02771145 +C 2.87179213 6.26861425 7.20622078 0.01301480 0.00076977 -0.01007094 0.07666554 -0.00889234 -0.02510323 0.00540858 -0.00416769 0.00030158 +H 2.80309700 5.96130935 3.79247966 0.00526972 0.00794067 -0.02877396 -0.00360540 0.04981630 0.03694384 -0.00766883 0.00403637 0.02816369 +C 4.25649139 6.59581189 7.36155784 0.00589706 0.00071110 -0.00106286 0.01464063 0.00423656 0.01858701 -0.00070563 0.00015391 0.00459609 +H 2.22908491 6.14007457 8.04915061 -0.00762147 -0.02862340 0.01974706 0.13233496 -0.06689467 -0.04815639 0.03336599 0.00749546 -0.01624237 +C 5.06404486 6.71001614 6.26888934 -0.00433446 0.00107599 0.00289189 -0.00995639 0.00320279 -0.02367054 0.00185602 0.00005120 -0.00866577 +H 4.72790947 6.81650153 8.32045643 -0.00931623 -0.01111619 0.01079994 -0.12941814 -0.10802832 0.07553993 -0.01461658 -0.01391134 0.01480144 +C 4.52879256 6.45209211 4.98826126 0.00109615 -0.00039825 -0.00249148 -0.03963659 -0.00573954 -0.00772246 -0.00971606 -0.00050425 0.00002628 +N 6.37412448 7.06756218 6.46454076 -0.00198386 0.00027798 -0.00970711 0.00117789 0.01529233 -0.04042069 0.00086989 0.00349486 -0.00319655 +C 3.14048631 6.10043440 4.79974256 -0.00496931 -0.00017160 0.00446698 0.00476856 0.00759515 0.01403535 0.00326373 0.00193366 -0.00059539 +H 5.11418710 6.59291873 4.06282575 -0.02703241 0.00375720 0.02563127 -0.03196102 0.01617938 -0.01533328 0.01420839 -0.00071525 -0.02464553 +C 7.39915040 7.12761407 5.62329274 0.00149593 0.00040620 -0.00478775 0.02784263 -0.00145152 -0.02797527 0.00579721 0.00014370 0.00055158 +H 6.70493786 7.32359725 7.37091956 -0.00942536 0.01407245 0.01843542 -0.18241832 0.03780495 -0.02970183 -0.02685510 0.00308071 -0.01230947 +O 7.35492394 6.75725517 4.43036990 0.00303278 -0.00135992 0.00728085 0.02634513 -0.00729960 0.04633447 0.00456261 -0.00146557 0.00347947 +C 8.75000355 7.60616539 6.21137256 -0.00034490 -0.00000918 0.00559610 -0.00402763 -0.01211412 0.03106082 -0.00102745 -0.00034241 0.00069380 +H 9.16881957 8.30137349 5.52722528 0.01678154 -0.00705009 0.01943499 0.15439160 -0.01101365 0.05765351 0.00982113 -0.01248037 0.01025668 +H 8.75498403 8.08078288 7.21647506 -0.02357706 0.01338958 -0.02657980 -0.26251925 0.14519735 -0.08725811 -0.03859438 0.01930135 0.00539503 +H 9.45093215 6.77247030 6.40915813 0.00669843 -0.00276555 0.00334965 -0.02591916 0.00333226 -0.03089675 -0.00486874 -0.00741357 0.00353077 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94690293 5.73738052 5.67623816 -0.00284773 -0.00520750 -0.00265540 0.00397662 -0.03561629 -0.01507628 0.00402801 -0.00253859 -0.00079292 +C 2.29038549 6.08554927 5.84842445 -0.00215718 0.00531907 0.00630977 -0.02760632 0.03562792 0.03049684 -0.00568394 0.00343798 0.00181156 +H 0.82961011 4.81553280 5.36683049 0.01747910 -0.01315418 0.00062417 0.10834986 -0.02398174 0.03493507 0.00911762 -0.02642287 -0.00126419 +C 2.60498749 7.46924095 6.09233330 0.00008780 0.00119541 -0.00525374 0.00202387 0.00254696 -0.01910795 0.00281389 -0.00087407 0.00019318 +H 3.13549112 4.09892960 5.50115685 -0.01335707 -0.00763501 0.00170824 -0.05585176 0.04093469 0.06282881 -0.00080556 0.02266689 0.01770328 +C 3.93694418 7.93177208 6.20427043 0.00611406 -0.00325216 0.00081856 0.03897232 -0.03795407 -0.00060242 0.00268951 -0.00849699 -0.00098792 +H 1.79373832 8.20122113 6.26010141 -0.00504705 -0.00004268 0.03007729 0.03334909 -0.06577719 0.06677081 -0.00291931 0.00096579 -0.00897868 +C 5.03352228 7.00401896 6.14257623 0.00768306 -0.00099126 -0.00131870 0.02324969 -0.03002548 -0.01806573 -0.00282223 -0.00572402 -0.00385560 +H 4.10243793 9.02504399 6.28945284 -0.01812864 -0.00578296 0.00741822 -0.04627339 -0.07558651 0.09764156 0.01321580 0.00142670 0.02017879 +C 4.69919209 5.56954686 5.96578553 -0.00580249 0.00030644 -0.00685579 -0.04086720 0.03672113 -0.04642928 -0.00186271 0.00610438 -0.00561563 +N 6.38253543 7.49365027 6.20564306 -0.00599916 0.00688373 0.00130019 -0.03989441 0.01160502 0.00437760 -0.00252460 -0.00403667 -0.00062095 +C 3.34302290 5.12355343 5.71766390 -0.00668325 0.00387669 0.00550720 -0.03742637 0.04727793 0.04842763 -0.00446844 0.00873523 0.00757008 +H 5.44172550 4.85263678 5.94988411 0.00219201 0.00625344 0.01012600 0.01218587 -0.01313149 0.01574790 -0.02790289 0.01520895 -0.00976635 +C 7.49551468 6.83471873 5.81047021 0.01020133 -0.00253258 0.00134033 0.02467360 0.02838708 0.02840108 -0.00580399 0.00674269 0.00535432 +H 6.50279347 8.38003506 6.69791563 -0.01791842 0.00820232 -0.00950428 -0.09262054 0.08071934 -0.13742925 -0.00866783 0.01434531 -0.02599750 +O 7.55480477 5.71673805 5.39220107 0.00729706 0.00026246 -0.00227751 0.05455282 -0.01262619 -0.02361900 0.00805791 -0.00187291 -0.00350076 +C 8.73837096 7.67945110 5.97596608 -0.00590492 -0.00273705 -0.00206952 -0.02447472 -0.02156615 0.00899140 0.00328876 -0.00278379 0.00645735 +H 9.02598811 8.18716528 5.02684774 0.00732291 -0.02881458 0.02996082 0.07737599 -0.08986482 0.00746044 0.00625448 0.00862647 -0.02652354 +H 8.64725006 8.41149862 6.74000324 -0.01159010 -0.00726079 0.01669121 -0.07733156 -0.03907490 0.06111312 -0.00585608 -0.01037763 -0.01261644 +H 9.45796931 6.98937573 6.29859069 0.00962772 0.01695238 -0.00873959 0.16016473 0.06316847 -0.03835883 0.00200755 0.01457808 -0.00616434 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96754856 5.83039123 5.91602429 0.00472810 0.00067061 0.00189197 0.03011019 -0.00263303 0.02419443 0.00173245 -0.00129302 0.00408590 +C 2.33965637 5.99753355 5.94358356 -0.00343286 0.00335376 -0.00200739 -0.03808753 0.01496564 0.00115991 -0.00261876 0.00123357 0.00240332 +H 0.39196228 6.18920914 5.22822006 0.01095154 -0.00937283 0.01946845 0.09940442 0.02444881 -0.02953235 0.02054145 0.00996221 -0.01614549 +C 2.98226939 5.63451349 7.13198716 0.00772728 -0.00324132 -0.00351205 0.05644392 -0.01793192 -0.04722142 0.00752986 -0.00072628 -0.01187723 +H 2.53105262 6.86923616 3.98420660 -0.00967318 -0.03248709 0.00237815 -0.11310141 -0.21902489 -0.09982172 0.00124794 -0.02614990 0.00008447 +C 4.39711366 5.79198226 7.15288333 0.00037559 0.00402894 0.00456863 0.00343828 0.03359225 0.05970672 0.00322545 0.00634475 0.01068373 +H 2.35486568 5.22656910 8.01145892 0.01323142 -0.00059155 -0.02723507 0.13793794 -0.05472764 -0.12780516 0.00072688 -0.02992153 0.02546194 +C 5.11046783 6.48854680 6.20709211 -0.00026192 -0.00441050 -0.00534611 0.00177741 -0.02554542 -0.05958142 -0.00154655 -0.00437288 -0.00721669 +H 4.96378054 5.50481561 7.99507122 -0.00303077 0.01978411 0.01178429 -0.06687849 0.08675574 0.16569320 -0.02140665 0.00927942 0.01583866 +C 4.41509824 6.75960808 4.96147894 -0.00250001 0.00039250 0.00384002 -0.02331440 0.00148402 0.01823134 -0.00301482 0.00160868 -0.00214761 +N 6.47746638 6.82813420 6.48388111 -0.00744935 -0.00185709 -0.00381288 -0.06656059 -0.00551406 -0.04099154 -0.00867977 0.00092575 -0.00689169 +C 3.01701085 6.50628273 4.84580669 -0.00705772 0.00246272 -0.00184076 -0.01998465 0.02520263 -0.00377918 -0.00180099 0.00375849 -0.00126830 +H 4.85066050 7.12877360 4.08861206 0.00345942 0.00507323 -0.01110334 0.05568482 0.06465131 0.04846250 -0.00154902 0.00227239 0.03620559 +C 7.38542589 7.37639458 5.68812948 -0.00113071 -0.00244315 -0.00108188 0.00224082 -0.03015363 -0.02633703 0.00191939 -0.00661554 -0.00262610 +H 6.80911726 6.81178541 7.43601740 -0.02141264 0.02278667 -0.01902262 -0.15047718 0.02735545 0.01353613 -0.02379635 -0.01451991 0.00330736 +O 7.18383761 7.72420309 4.49057003 0.00177874 0.00021839 0.00349259 0.01550495 -0.00025866 0.03829717 0.00252691 0.00016759 0.00544142 +C 8.81054820 7.37953657 6.24046786 0.00363445 -0.00182179 0.00549305 0.02927248 0.00043024 0.02088423 0.00285950 0.00434943 -0.00000193 +H 9.49336979 7.09577442 5.43602005 0.01458737 0.00421643 -0.02274747 0.00180451 0.09059660 0.01702835 -0.00299456 0.00985895 0.01933002 +H 8.97694832 8.37742310 6.58388847 0.01764555 0.00892647 0.00229728 0.14522783 0.01115506 -0.01483078 0.01435850 -0.01510882 -0.00826085 +H 9.05663811 6.67829632 7.07836567 0.00600667 0.01336477 0.01034710 -0.04913751 0.06695616 0.04513933 -0.01220500 -0.00716636 0.01231965 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.93677862 5.68555304 5.78645351 0.00121157 0.00397591 0.00403544 0.03497114 0.03009252 0.02504882 0.00857868 0.00502508 0.00290320 +C 2.28358108 6.13820095 5.74757626 0.00836908 -0.00347400 -0.00127505 0.02018090 -0.03067262 0.00574930 -0.00323763 -0.00343965 0.00266101 +H 0.74879384 4.79095304 5.97125432 0.00601068 -0.01731089 0.01266687 0.12404221 0.03974400 0.03912394 0.02192188 0.00967482 0.00254324 +C 2.57594381 7.53726932 5.87783764 -0.00688686 -0.00306517 -0.00489044 -0.01719049 -0.02716919 -0.01877487 0.00196506 -0.00372836 -0.00023132 +H 3.07579963 4.09647312 5.75727646 -0.01123383 0.00867389 0.00870349 -0.00526527 0.02297621 0.03942068 0.00634074 -0.01781464 0.00152183 +C 3.92114077 7.96480349 6.04232266 0.00022230 0.00545305 0.00437768 -0.00803848 -0.00850354 0.00307097 -0.00472023 -0.00827294 -0.00399831 +H 1.81445419 8.28341270 5.95365369 -0.00303135 -0.00325926 0.00438855 -0.08432156 -0.05437994 -0.05012340 -0.00821013 -0.01987665 -0.01907306 +C 4.97572812 6.97505898 6.01726511 -0.00736588 -0.00042900 -0.00153142 -0.04470902 0.00102457 0.00101448 -0.00169294 0.00077319 0.00156707 +H 4.18759073 9.05327839 6.03957281 0.00185155 -0.02139139 -0.02322866 -0.01915076 -0.03240758 -0.07481680 -0.00402971 0.02347197 0.00433592 +C 4.69247513 5.59270933 6.05440341 -0.00283628 -0.00321539 -0.00267813 -0.04735787 -0.00870899 -0.04773821 -0.00780395 0.00143462 -0.00979475 +N 6.26706088 7.41850636 6.03234152 0.00001085 0.00471246 -0.00048090 0.02139883 0.04421992 0.01070401 0.00305155 0.00729197 0.00355343 +C 3.34531684 5.16960426 5.81153945 -0.00023034 -0.00359259 -0.00299485 -0.00706964 -0.00870944 -0.00712905 -0.00211491 0.00086169 0.00078200 +H 5.48324786 4.84477419 6.00076330 -0.00581738 0.02670846 0.00025433 0.01915125 0.04148296 0.07282061 0.00004959 -0.01255479 0.01582463 +C 7.51507642 6.82762973 5.95439138 0.00408229 0.00360692 -0.00169296 0.00794418 0.02582252 -0.02876917 -0.00125034 0.00266135 -0.00580929 +H 6.30263214 8.39041034 6.20167268 -0.02848425 0.01071504 0.02221577 -0.07414300 0.03739160 0.09509486 0.01453675 -0.00710421 0.00203740 +O 7.70650733 5.65105710 5.68908814 -0.00101633 -0.00071880 0.00041054 -0.01268494 -0.00586737 0.00844896 -0.00271740 -0.00015727 0.00191872 +C 8.77863648 7.70402434 5.95087645 0.00303201 -0.00538871 -0.00077310 0.03426788 -0.01562691 0.02500374 0.00672307 0.00099327 0.00698663 +H 8.61624096 8.76385975 5.96225097 0.01067384 0.00596305 0.00759482 -0.03253522 -0.01242740 0.04890164 -0.01201861 -0.01530128 0.00633102 +H 9.40711503 7.56321356 6.78798100 0.05321510 -0.00473490 0.02711838 0.12220738 -0.10225676 -0.07200112 -0.02249033 -0.02173754 -0.04209582 +H 9.29862350 7.56526894 4.99120457 -0.00720633 -0.00213779 0.01293508 0.03737504 -0.07469161 0.02633530 0.01302459 -0.01348059 -0.00395420 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99275777 5.77564234 5.80306652 0.00095965 -0.00714269 -0.00657627 0.00143017 -0.04121272 -0.03803426 -0.00209196 -0.00500917 -0.00439774 +C 2.32366902 6.07871642 5.88548216 -0.00421016 -0.00216459 -0.00248128 -0.02808075 0.00505358 0.00751541 -0.00333249 0.00262512 0.00430636 +H 0.75361116 4.98105538 5.31693896 -0.02973239 0.01664852 0.01650770 -0.14889529 -0.02414775 -0.00440404 0.00226941 -0.00906995 -0.01003845 +C 2.71895650 7.01490190 6.86960264 -0.00040866 -0.00003246 0.00809849 -0.01030193 -0.01908675 0.03832154 -0.00196412 -0.00454480 0.00248692 +H 2.99911083 4.65745624 4.49305704 0.00202860 0.00557628 -0.00571949 0.04226117 0.04642939 -0.13204554 0.00545312 0.01404210 -0.02229448 +C 4.04126289 7.40818993 7.04062383 0.00092429 0.00223374 0.00653624 -0.00251936 -0.00494709 0.03250208 -0.00084305 -0.00033844 0.00518637 +H 1.91959957 7.31449230 7.60082383 0.03737989 -0.00152218 -0.02375875 0.04991650 0.18061583 -0.01042316 -0.02780045 0.04458020 0.02106710 +C 4.99643524 6.76583648 6.25395124 -0.00513546 0.00502397 0.00321418 0.00506941 0.05147150 0.00777112 0.00764696 0.00847593 -0.00105791 +H 4.33567497 8.06306242 7.80577820 -0.00435732 -0.00447652 -0.02922142 0.00271688 0.16386417 0.00355175 -0.00775038 0.01483580 -0.00051429 +C 4.58081778 5.80833594 5.29399516 -0.00163499 0.00417232 0.00120812 0.04022202 0.02828085 0.01508009 0.00975904 0.00295400 0.00207902 +N 6.33207915 7.20530763 6.42733223 0.00687448 -0.00063509 -0.00274307 0.04254482 -0.01223565 -0.00779078 0.00436582 -0.00335225 -0.00129546 +C 3.30299260 5.47169921 5.11322842 -0.00160662 0.00403531 -0.00234426 -0.04873884 0.00977541 -0.02095693 -0.00759551 -0.00064369 -0.00371000 +H 5.29489221 5.22853100 4.77872796 0.01244803 0.00200347 0.00464674 0.08977537 0.07784024 -0.02342500 0.00153273 0.02471438 -0.00424158 +C 7.42945355 7.02782888 5.65658360 -0.00179368 -0.00410207 -0.00353186 0.02147097 -0.02061775 -0.02921476 0.00660616 -0.00051164 -0.00145350 +H 6.55246293 7.67854045 7.29311729 0.04123631 0.01045390 0.01099490 0.12589656 -0.01776575 -0.08074938 -0.00267670 -0.00283301 -0.00901759 +O 7.48787194 6.57957395 4.48730803 0.00040676 -0.00216585 0.00652508 -0.01262671 -0.01977551 0.04627752 -0.00367193 -0.00438296 0.00421104 +C 8.81115852 7.45257278 6.22854206 0.00098942 -0.00117058 -0.00325231 -0.02825383 0.00659377 -0.01970706 -0.00610848 0.00240333 -0.00032019 +H 9.61225508 6.84395577 5.83920788 -0.01856572 0.01370254 -0.00793453 0.00650500 0.00035995 -0.08385217 0.00182398 -0.00483568 -0.00104899 +H 8.96511414 8.50981577 6.05394340 0.01234906 -0.00276383 -0.01179512 0.08992939 -0.03025124 -0.14584651 0.00556042 -0.00985341 -0.02485263 +H 8.80539434 7.36812261 7.25917002 -0.01657681 0.02167493 -0.00353054 -0.06231668 0.06757088 0.08151730 0.00273485 -0.00008490 -0.01766545 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03022445 5.66407975 5.91764769 -0.00083817 -0.00301468 0.00057544 -0.00377959 -0.02328550 -0.00404899 -0.00158360 -0.00476745 -0.00207901 +C 2.33742587 6.10010406 5.85604917 -0.00681515 0.00138094 -0.00562919 -0.05604885 0.01423744 -0.02475186 -0.00664566 0.00295089 -0.00142475 +H 0.93817402 4.83610721 5.54730991 -0.01049846 -0.00530337 -0.01230354 -0.07328767 -0.00073762 -0.06056732 -0.00549923 0.01862894 0.00090370 +C 2.67102418 7.30875164 6.48206762 -0.01089395 -0.00124406 -0.00120436 -0.06411971 0.01380861 -0.01140166 -0.00398122 0.00312516 -0.00236318 +H 3.08882178 4.41560642 4.73477828 0.03106486 0.02812801 0.00492776 0.13834877 0.00467980 -0.00237700 0.00510962 -0.01460227 0.00131997 +C 4.00060590 7.77764141 6.60959628 -0.00082465 0.00060351 0.00235631 -0.02951190 -0.02429124 -0.00202756 -0.00600315 -0.00712615 -0.00368483 +H 1.80081193 7.99109180 6.74781218 0.00633245 0.00105284 -0.00272684 0.04330871 -0.03984634 0.12351664 -0.02391431 0.00903988 0.04274894 +C 5.00240273 7.02959315 6.00478463 0.00551337 -0.00255414 -0.00145168 0.03252965 -0.02700644 -0.01610690 0.00177658 -0.00103030 0.00005197 +H 4.19363291 8.69480420 7.16363220 0.00287334 -0.01920707 -0.01804000 0.03987404 0.02985730 -0.06640324 0.00120086 0.01322791 -0.00372992 +C 4.63295096 5.80455426 5.27677434 0.00949213 0.00198867 0.00511578 0.06633168 0.03134287 0.06432427 0.00677264 0.00250087 0.00971729 +N 6.31092742 7.53041816 6.05919535 0.00108736 0.00398062 0.00219148 -0.01417543 0.01669161 0.01065931 -0.00304709 0.00348762 0.00172476 +C 3.32577127 5.33847582 5.25597862 0.00184369 0.00414016 0.00532052 0.02609621 0.03799766 0.03102008 0.00630276 0.00619730 0.00315308 +H 5.44696982 5.16202184 4.94583220 -0.02086761 0.00725610 0.00362831 -0.05159503 -0.01549189 -0.14211260 0.00676477 0.00151120 -0.02864959 +C 7.43310744 6.84782072 5.83105206 -0.00641555 0.00979486 0.00102545 0.00811103 0.01116750 0.02006893 0.00810118 -0.00775492 0.00417710 +H 6.35696721 8.45785692 6.32162735 -0.01120860 -0.00562698 0.01598038 0.01503774 0.05934540 0.09093743 0.00946123 -0.01907533 -0.00442390 +O 7.53990154 5.59678476 5.81319708 0.00141287 -0.00935557 -0.00174922 0.00180008 -0.02295960 -0.01688260 -0.00100216 0.00401178 -0.00288637 +C 8.73254897 7.67539646 5.83965747 0.00717875 -0.00092183 -0.00558000 0.02247648 -0.00392985 -0.05157747 -0.00228294 -0.00061371 -0.00516067 +H 8.65197720 8.37006329 6.67089183 0.01104029 -0.01307787 -0.01036029 0.18278524 -0.06608606 0.02395463 0.03377439 -0.00979651 0.00625980 +H 9.68709599 7.07475704 5.78181924 -0.01555257 -0.01373125 0.00414967 -0.10627765 -0.10663975 0.08232832 0.00385516 -0.02375775 0.00761206 +H 8.77437421 8.31482929 4.91471845 -0.00643691 0.00439134 0.00348432 -0.02967928 0.00155689 0.02105969 0.00448846 0.00921725 -0.02041313 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00947162 5.65184673 5.90903944 -0.00027871 0.00001978 -0.00064388 -0.00123062 0.00337065 0.00132658 -0.00007145 -0.00026213 -0.00075501 +C 2.29003308 6.06270471 6.00824616 0.00326458 -0.00439909 -0.01090617 0.02078135 -0.01397204 -0.06736363 0.00254767 0.00305410 -0.00519770 +H 0.95888663 5.03447670 5.18861431 -0.00341218 0.02441364 0.00949036 -0.11344332 0.04532592 -0.05432975 -0.02348118 0.00724630 -0.00074539 +C 2.65314146 7.05623953 6.89025935 0.00517206 0.00423851 -0.00489545 0.04929972 0.03473037 -0.02466707 0.00536271 0.00340474 -0.00282867 +H 3.02016868 4.71077914 4.51876535 0.00249945 -0.02485052 0.00264238 0.02742825 -0.07812552 0.01099576 0.00965734 0.01135733 0.01024062 +C 4.01105851 7.48366187 6.94016818 0.00664766 -0.00113162 0.00984291 0.04676853 -0.02507830 0.03865741 0.00642378 -0.00189175 0.00478461 +H 2.00947804 7.53115763 7.57229954 -0.00641216 -0.00451639 0.00079142 -0.08881497 -0.05308516 -0.04638773 0.00286488 -0.01287446 -0.02431544 +C 5.02526893 6.90625966 6.08154660 -0.00648192 0.00333650 -0.00420504 -0.03846738 0.05110038 0.01835001 -0.00240026 0.00891774 0.00697277 +H 4.26531151 8.24341377 7.63072475 0.01796201 -0.02571937 -0.01435384 0.16295856 -0.01562776 0.09807779 0.01161863 -0.00694847 0.01700784 +C 4.60967130 5.93568512 5.21329423 0.00121950 0.00725570 0.00423368 0.00037196 0.01642925 -0.00490239 -0.00178116 -0.00032701 -0.00254982 +N 6.37417780 7.22639755 6.30947616 -0.00427323 0.00218928 0.00412467 -0.03450513 0.02493950 0.01764778 -0.00429010 0.00332242 -0.00139842 +C 3.26071902 5.51798926 5.14302908 0.00222484 -0.00552492 0.00442039 0.02819391 -0.05458740 0.02227497 0.00594395 -0.01137000 -0.00035549 +H 5.31316424 5.42038259 4.52692137 0.02346003 0.01121731 0.01878491 0.09874087 0.08584794 0.16100631 0.01508580 -0.00374124 0.00477091 +C 7.47474507 6.98709588 5.61066692 0.00332898 -0.00258797 -0.00348381 -0.00325335 -0.00935916 0.01394123 -0.00696760 -0.00010399 0.00740063 +H 6.55116894 7.84954862 7.12311414 0.01998816 0.00664385 0.00186447 0.04792584 -0.04525071 -0.01637779 -0.00493733 0.00072356 0.02044809 +O 7.57960682 6.43850996 4.54258001 -0.00388514 0.00221659 0.00621628 -0.02931903 0.00365808 0.01754601 -0.00423833 -0.00131333 -0.00152678 +C 8.70056555 7.36962418 6.38069581 -0.01115675 -0.00465662 -0.00683398 -0.03822315 -0.02882011 -0.03206357 0.00223165 -0.00157428 -0.00134948 +H 8.65107517 6.91776694 7.35345519 0.00969498 -0.03129128 -0.00132813 0.07206636 -0.18929489 -0.10456418 0.00681037 -0.00913446 -0.02946606 +H 9.55388535 6.99813765 5.83965037 0.01953161 -0.00082098 -0.00995990 0.01934636 0.09411565 0.00497901 -0.01758709 0.02273599 0.00368437 +H 8.73649670 8.38198411 6.64359296 -0.00811514 0.02034778 -0.01276056 -0.04198702 0.05017148 -0.17191766 -0.00738349 -0.03183178 -0.02791842 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95657066 5.85243077 5.72831341 0.00869689 0.00530333 0.00069204 0.04602438 0.03088267 0.00351136 0.00255125 0.00069374 -0.00058340 +C 2.27154118 6.09412460 5.85420161 -0.00126399 -0.00143027 -0.00085629 -0.00060588 0.01056154 0.01999144 0.00143960 0.00297630 0.00625349 +H 0.87577501 4.96307163 5.47666423 0.00889957 0.02252393 0.01650508 -0.03840192 -0.01313194 0.05151958 -0.01121057 0.01624431 0.00878803 +C 2.61311330 7.31909915 6.47877850 -0.00624538 -0.00601329 0.00350870 -0.03479903 -0.03175820 0.00231418 -0.00031534 -0.00189349 -0.00252075 +H 3.01194179 4.19407360 5.11085609 0.00481573 0.01745854 -0.02717280 0.02525197 0.09873338 -0.20374886 0.00067252 0.01288090 -0.01901218 +C 3.95759548 7.74222228 6.47209627 -0.00139715 -0.00757054 -0.00352916 -0.00838657 -0.04565901 -0.02339496 -0.00330280 -0.00387359 -0.00199855 +H 1.77797264 7.97247899 6.76156625 -0.00936097 0.01057644 -0.00992775 0.05204135 0.02458513 -0.02401576 0.00738917 0.00327436 0.00787207 +C 5.02296749 6.92264353 5.99563823 -0.00129110 -0.00518324 -0.00671591 -0.03245761 -0.01552695 -0.03205083 -0.00629165 0.00243493 -0.00184177 +H 4.20417930 8.74187477 6.74149913 -0.00882601 -0.00177656 -0.00594297 -0.07741916 -0.02697787 0.03471244 -0.00966333 -0.01628898 0.01016055 +C 4.59295904 5.65200304 5.49356209 -0.00457714 0.00795620 -0.00045799 -0.01574465 0.02177361 -0.01236517 -0.00000337 -0.00306919 -0.00338944 +N 6.31887721 7.47201448 6.03245434 -0.00305730 0.00453395 -0.00254365 -0.03007979 0.01162380 -0.02440145 -0.00405073 -0.00026456 -0.00379312 +C 3.25986543 5.19671945 5.44455431 -0.00283438 -0.00164940 0.00610154 -0.01167663 0.00603969 0.03848140 0.00009283 0.00290095 0.00310457 +H 5.26707800 4.91085486 5.08531848 -0.02129874 0.00827128 -0.00571211 0.03360487 0.08207298 -0.03522100 0.02670113 0.01345099 -0.00586274 +C 7.52442515 6.90650930 5.86031118 -0.00506125 -0.00543172 0.00762939 -0.01471012 -0.02638978 0.05579459 0.00191397 -0.00048314 0.00753635 +H 6.25262064 8.43284174 6.28124765 0.01157300 -0.01080874 0.00067143 0.15129663 0.05541288 -0.02244972 0.01780037 -0.00278828 -0.01411672 +O 7.71822977 5.70838830 5.88688598 0.00685066 -0.00083816 0.00007456 0.03556813 -0.02157285 -0.00281112 0.00297203 -0.00525327 -0.00062292 +C 8.77590218 7.74378718 5.74776383 0.00647191 0.00532879 0.00439976 0.01778582 0.03200816 0.01518865 -0.00150509 0.00196984 -0.00428659 +H 8.89310226 8.26701293 6.75464738 0.00527844 -0.00278794 -0.01712621 0.12061705 0.06331902 -0.07574993 0.02913143 0.03290411 0.01537053 +H 9.58956151 7.08795647 5.55648108 0.00302613 -0.00646511 -0.01353796 0.05613361 0.02844079 -0.04443859 -0.00376973 0.02477435 0.00784252 +H 8.67197847 8.43740299 4.98222205 -0.00537905 -0.00412441 -0.03468870 -0.00152865 -0.03845883 -0.11476361 0.00656106 -0.01987689 0.02676641 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.93393644 5.80276739 5.99846962 -0.00259109 -0.00163655 -0.00741452 -0.00400068 -0.00677040 -0.05485486 0.00078789 0.00078611 -0.00977080 +C 2.28238228 6.03194002 5.95690265 0.00179834 -0.00190189 0.00283412 0.03358229 -0.02700893 0.01587813 0.00453531 -0.00454121 -0.00033747 +H 0.53732613 6.19800375 5.26669634 -0.00261372 -0.00332348 0.01366488 -0.10626866 0.02881670 -0.03032955 -0.00098883 -0.00760727 0.01166980 +C 3.00092236 5.52356260 7.07927113 0.00264514 0.01024729 0.00600726 -0.00857770 0.07789563 0.01756123 -0.00387233 0.00998979 0.00069423 +H 2.59610850 6.91807687 3.95217513 -0.00367351 0.02074825 0.03622682 -0.12770514 0.12895499 0.09449164 -0.01804648 0.00412628 0.00483281 +C 4.34250027 5.79181058 7.15580162 -0.00574911 -0.00884986 -0.00309456 0.02301878 -0.02634085 -0.02341833 0.01099167 0.00141063 -0.00195388 +H 2.53971055 5.02996280 7.92701176 0.00431803 0.00849715 -0.00917003 -0.06314355 0.05512147 -0.01703232 -0.01724077 0.01179212 0.00324415 +C 5.13412450 6.48192496 6.13903034 0.00019466 0.00099970 0.00423937 -0.01546948 -0.01236193 0.02850656 -0.00355020 -0.00385925 0.00136604 +H 4.77053366 5.53573809 8.12309826 0.00057838 0.02439150 -0.01552027 0.09884500 0.05591791 -0.04119565 0.02201348 -0.01337847 0.00421244 +C 4.43564289 6.80239586 4.92844973 0.00028341 -0.00136695 -0.00163739 0.01849802 -0.00095690 -0.00496931 0.00303386 -0.00049708 0.00341928 +N 6.51913943 6.74396189 6.38871388 0.00092773 -0.00388467 0.00550784 -0.01730263 -0.03674240 0.03117617 -0.00442137 -0.00650078 0.00394000 +C 3.06035375 6.57770037 4.85630879 0.00274951 0.00053985 -0.00084716 -0.01601782 0.00109199 0.02268039 -0.00644915 0.00124916 0.00547981 +H 4.84132418 7.29126101 4.03800069 0.01284304 0.01788932 -0.02353602 0.08270710 -0.00868250 0.09799287 0.01626154 -0.00639653 0.02503488 +C 7.42605387 7.30232410 5.61054918 0.00068742 -0.00836258 -0.00409326 0.00647574 -0.04688385 -0.00517914 0.00035680 -0.00462032 0.00360598 +H 6.90904424 6.50412614 7.25972172 0.00698932 0.00373532 0.01079875 -0.04154814 -0.02406867 0.07317661 -0.02313719 -0.00651094 -0.00579846 +O 7.18224300 7.82741031 4.51941977 -0.00320102 0.00171366 0.00483375 -0.01255395 0.00753878 0.03210523 -0.00051275 0.00028277 0.00408972 +C 8.76468414 7.41560301 6.36787942 0.00241994 0.00602820 -0.00383576 0.01620263 0.04394422 -0.04955821 0.00088863 0.00849325 -0.00790247 +H 9.20556745 6.49937836 6.80569082 0.01135122 0.01401783 -0.01121380 0.03095037 0.03285810 -0.14279383 0.00321238 -0.00947067 -0.02421673 +H 9.52873542 7.91049811 5.76257267 -0.01480064 0.00358291 -0.01990786 -0.07641328 0.02694731 -0.16347763 -0.00440876 0.00574826 -0.02328153 +H 8.60657492 8.05027072 7.18169052 0.00412067 -0.00501180 -0.01182422 0.01808037 0.09074354 0.03914111 0.00869123 0.00420892 -0.01236653 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.14476089 5.73007716 6.03761280 0.00257388 0.00353301 -0.00109592 -0.01151137 -0.00520957 -0.00715395 -0.00617418 -0.00342724 -0.00074302 +C 2.39396253 6.11503692 5.95317377 -0.00197766 -0.00104445 0.00471802 -0.00895456 -0.05191362 0.01020383 0.00109720 -0.00911131 -0.00083114 +H 1.12125332 4.79829115 5.95248570 -0.00537448 -0.01818864 -0.01061992 -0.08988160 0.03396700 -0.06414529 -0.02094576 0.00020600 -0.01137353 +C 2.63264506 7.32299857 6.35323701 -0.00096628 0.00117565 -0.00520969 0.02233749 0.05962642 -0.01231442 0.00430988 0.01151986 0.00174577 +H 3.12829813 4.29558475 4.97608114 0.00019947 0.00348543 -0.01812114 -0.01491541 0.01980523 -0.04629948 -0.00478920 -0.00846003 0.00246345 +C 3.95277310 7.79936144 6.26246106 0.00524060 -0.00062143 0.00471396 0.02004144 0.01431570 0.04753931 -0.00014046 0.00697530 0.00838391 +H 1.86164296 7.88608929 6.80847954 -0.00363547 -0.01130415 0.00178337 -0.03731632 0.03930988 -0.00011568 0.00946500 0.01649368 -0.01146501 +C 4.98166198 7.01131404 5.76945542 -0.00035377 0.00429152 -0.00106303 -0.01170174 0.02549345 -0.00356399 -0.00282362 0.00174508 0.00014489 +H 4.25659906 8.70725607 6.72169970 -0.00856553 0.00976073 -0.00763808 -0.11797495 0.12200631 -0.04740319 -0.01834147 0.00680175 -0.00824501 +C 4.66420385 5.76048553 5.24818458 0.00497726 0.00286405 0.00148286 0.02716891 0.00667223 0.00588608 -0.00031884 -0.00218229 0.00076546 +N 6.24090400 7.53866665 5.90528911 -0.01113941 -0.00436901 0.00163587 -0.04075645 -0.01639861 0.01428191 0.00181623 -0.00069185 0.00204670 +C 3.36680732 5.26977871 5.40906565 -0.00192909 -0.00381208 0.00142888 -0.00028064 -0.02321285 -0.01029201 0.00302050 -0.00132497 -0.00401759 +H 5.47119817 5.25759792 4.70529330 -0.00662751 -0.01206968 0.00551791 -0.07921558 -0.16599469 0.07339434 -0.00237915 -0.02728727 0.01173344 +C 7.39013773 6.86871808 6.02163782 -0.00018042 -0.00188953 -0.00018886 0.00461656 -0.02123286 -0.03265258 0.00058535 -0.00187720 -0.00868616 +H 6.28791389 8.52932074 6.02332567 -0.00618806 0.00998495 -0.01616796 -0.03355732 -0.01928074 -0.09897076 -0.00303908 -0.00955356 -0.00896572 +O 7.50177606 5.65544834 5.84614788 0.00263158 -0.00077055 -0.00096484 0.01336039 -0.00935314 0.00209620 0.00125270 -0.00247586 0.00130100 +C 8.70030062 7.60894168 6.05807739 0.00324589 0.00415998 -0.00643762 0.02164258 0.01951600 0.00912436 0.00291022 0.00187309 0.00232767 +H 9.02951398 7.85742309 7.09803862 -0.00506052 -0.01261926 0.03349916 -0.16426172 -0.03351789 -0.02834458 -0.02558511 0.01097388 -0.00368973 +H 9.48536528 6.94396822 5.78563450 -0.00394903 0.00380711 0.01136674 0.05755924 -0.00945633 -0.04826247 0.00188737 0.00986421 -0.01138005 +H 8.67179029 8.44877179 5.42095644 0.01537191 -0.01704359 0.01697522 0.12443048 0.12346783 -0.02402930 0.01364843 0.01350109 0.00561757 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01047413 5.62134375 5.66271199 0.00200022 0.00708379 0.00111342 0.01706100 0.06532072 0.00299841 0.00126757 0.01074661 -0.00060231 +C 2.32382498 6.00297788 5.88085646 0.00321004 -0.00485060 -0.00049921 0.00650658 -0.04406047 -0.01917566 -0.00009658 -0.00580160 -0.00448646 +H 0.63989926 6.23759735 5.09725392 -0.01405282 0.00187599 -0.01257939 -0.09714327 -0.02707660 -0.01813649 -0.00350671 -0.01125458 0.01253614 +C 3.19462524 4.93163980 6.00105022 -0.00095295 -0.00092873 0.00322597 -0.00517596 -0.03305355 0.00887680 -0.00191064 -0.01039537 -0.00167612 +H 2.07815716 8.11651312 5.61267985 -0.00707202 0.00396329 0.00445157 0.16951991 -0.04683843 0.00099149 0.02009235 0.01025893 -0.00841899 +C 4.55944068 5.07036152 6.11768769 -0.00113269 -0.00597504 0.00022856 0.00562434 -0.04510251 0.01078462 0.00181698 -0.00532211 0.00262722 +H 2.91689320 3.93036030 5.84648181 -0.00943463 0.00669350 -0.03829819 -0.17674670 0.00819083 -0.11041450 -0.02281337 0.01204457 0.01489039 +C 5.14243697 6.33405007 6.13182658 -0.00379053 -0.00111329 0.00355090 -0.01659709 0.00873317 0.02608190 -0.00134746 0.00258706 0.00357454 +H 5.14365792 4.16741582 6.21226134 -0.01535173 -0.02831274 -0.00487194 -0.06565489 -0.07930082 -0.07290712 0.00477764 0.00326315 -0.01275630 +C 4.24445066 7.45422191 6.03208662 0.00284322 0.00558232 -0.00076278 0.00603925 0.03137196 -0.03062101 -0.00022014 0.00117676 -0.00689362 +N 6.56309890 6.39481726 6.18504497 -0.00159846 0.00296627 0.00512782 -0.02862131 0.02281177 0.03082303 -0.00418468 0.00282961 0.00347142 +C 2.84192532 7.30319302 5.73765408 0.00197655 -0.00943009 -0.00165458 0.01720184 -0.05689922 0.02033072 0.00581417 -0.00748330 0.00715835 +H 4.56359043 8.48764666 5.96565708 0.01231106 -0.00144616 -0.00600256 0.12000666 -0.00527182 0.02181537 0.00999828 0.00141715 0.00897384 +C 7.35667284 7.42000537 5.86444348 0.00072905 -0.00213804 -0.01117864 0.01581528 0.00525516 -0.06774931 0.00153931 0.00358977 -0.00673145 +H 7.00694473 5.53890966 6.43652155 -0.01318392 0.01381716 0.01327079 -0.00360912 0.02088979 0.10405944 0.00065999 0.01025522 0.00984832 +O 6.92949699 8.52750096 5.55828365 -0.00297938 0.00397945 0.00202953 -0.01673361 0.02387347 0.00962228 -0.00111980 0.00248752 0.00034145 +C 8.90823334 7.26254046 5.90989816 0.00225008 0.00283536 0.00196357 0.00247068 0.01007220 0.00950402 -0.00184187 -0.00258899 0.00043752 +H 9.24427908 6.25175676 5.86284006 0.00399759 -0.01564617 -0.03630959 -0.02682279 0.01141820 -0.19314767 -0.01462877 0.02579657 -0.00856757 +H 9.34800554 7.89208738 5.08275676 0.02472433 -0.00755187 0.01158769 0.13071388 -0.07818079 0.10595448 0.01783088 0.00604144 0.00143244 +H 9.27397016 7.70317276 6.85235461 -0.00534546 0.00065871 0.00869367 -0.03767656 -0.06274145 0.03323208 -0.00133522 -0.01838516 0.00933893 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02593393 5.65040760 5.94360610 -0.00185166 -0.00022523 0.00035395 -0.02771488 -0.00533957 -0.01860894 -0.00555192 -0.00119279 -0.00404232 +C 2.33762256 5.89975963 5.96661426 -0.00492713 -0.00359405 0.00328131 -0.02809858 0.02289333 -0.00697909 -0.00250057 0.00932726 -0.00443432 +H 0.78806250 5.58708972 5.04180469 -0.00649698 0.02394861 -0.02369600 -0.09000001 0.16480998 0.02899625 -0.02498367 0.02403832 0.00753732 +C 2.95591070 5.76234889 7.17072897 -0.00341697 0.00283626 0.00145527 0.00166021 0.00135235 0.00564965 0.00166657 -0.00394684 0.00268587 +H 2.31180452 6.87355953 4.02161294 0.00571619 0.01939076 0.00449721 0.16398266 0.07204216 0.00126144 0.01933341 0.00229585 -0.02357300 +C 4.34099654 5.99790996 7.15154277 -0.00085103 -0.00111075 0.00225876 0.00813400 -0.00299457 0.04014256 0.00403138 0.00006687 0.00793525 +H 2.42892488 5.36431388 7.95006638 -0.00655200 -0.01287759 0.00160617 0.00063484 -0.06987960 0.07977830 0.02573007 0.01225412 -0.01471803 +C 5.08914558 6.56868558 6.13106230 0.00787518 0.00055866 -0.00401513 0.02856724 -0.02079063 -0.02511373 0.00102043 -0.00696851 0.00103498 +H 4.90860681 5.76236462 8.02061445 -0.00420269 -0.01795522 -0.00791209 -0.04621722 -0.12169771 0.07364882 -0.01219954 -0.00769465 0.01432544 +C 4.39410222 6.75349974 4.89032695 0.00811900 -0.00012805 0.00341904 0.04074936 0.01621078 0.02606296 0.00113796 0.00452208 0.00025565 +N 6.45609644 6.64588413 6.34029141 0.00268323 0.00181877 0.00800694 0.03220059 0.01485803 0.02217625 0.00504092 0.00148060 -0.00177553 +C 2.97729980 6.59435900 4.87985989 0.00176758 -0.00278979 -0.00336552 0.01549530 -0.04338840 -0.00814689 0.00594294 -0.00862890 0.00284136 +H 4.96672692 7.12042268 4.08316265 -0.00443571 -0.00767850 -0.01331773 -0.06795687 -0.01620275 -0.10012853 -0.01580737 -0.00069299 0.00757480 +C 7.42331314 7.31152927 5.65399615 0.00026072 -0.00091135 -0.00967401 -0.00906469 -0.01749992 -0.02449440 -0.00223635 -0.00232131 0.00231632 +H 6.82121404 5.94131371 6.97969674 -0.01043449 0.00015158 -0.01233841 -0.00913178 0.01426639 0.06117710 0.00902128 0.01031447 0.02438631 +O 7.18902124 8.06444791 4.74846250 -0.00266686 0.00289728 0.00015742 -0.02161696 0.02987770 -0.01685822 -0.00335402 0.00486697 -0.00435143 +C 8.85192603 7.19084851 6.17501520 -0.00291919 0.00136145 0.00047508 -0.02782132 -0.00088090 0.01361266 -0.00396021 -0.00481293 0.00088788 +H 8.87209554 6.61397269 7.08275798 -0.00338226 -0.01614620 0.01065262 -0.03280471 -0.00758260 0.01195987 -0.00398439 0.01373741 -0.00825108 +H 9.47676326 6.64126705 5.51847290 -0.01398352 -0.01009427 -0.00336749 -0.04499129 0.01075948 -0.08484739 -0.01225262 0.01971688 -0.00209305 +H 9.18183335 8.24413808 6.42234630 0.00780376 -0.00141037 -0.00204159 0.10906285 -0.10507693 -0.06412544 0.02565428 -0.00078904 -0.00842597 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01828684 5.84537566 5.92254768 0.00363234 -0.00087078 0.00034341 0.04007285 0.00048670 -0.01330203 0.00597932 0.00189043 -0.00240661 +C 2.36574810 6.11311227 5.71204020 0.00125395 -0.00177421 0.00514280 -0.01063511 -0.04699861 0.01800843 -0.00257778 -0.01105241 -0.00109697 +H 0.71735726 6.44195836 6.60521024 0.04724518 -0.00682086 -0.00911933 0.16684214 -0.01103155 0.06780699 0.00149724 -0.01325654 0.00815553 +C 3.00283703 5.95116790 4.43255025 -0.00713288 -0.00631207 -0.00011970 -0.03033747 -0.01464339 0.02427906 -0.00157978 0.00288237 0.00479035 +H 2.64613340 6.37735183 7.86855902 -0.01625031 0.01144490 -0.01769374 -0.13766688 0.05331087 -0.05328086 -0.01428144 0.00263563 0.00169154 +C 4.40180702 6.18466240 4.36591529 0.00327146 -0.00124608 -0.00330185 -0.00520331 -0.02532092 -0.00996369 -0.00369785 -0.00496294 0.00030182 +H 2.44558837 5.72339174 3.54226101 -0.01107243 0.05856811 0.00497951 -0.11389722 0.28491793 0.00296508 -0.00729272 0.01498265 0.01334474 +C 5.09295906 6.46180000 5.55066246 0.00624344 -0.00185155 -0.00369060 0.05278071 -0.00461195 -0.00453912 0.00543588 -0.00039964 0.00196565 +H 4.94494638 6.03291706 3.44936563 -0.00197464 0.01672606 0.00587159 -0.02340778 0.16469975 -0.07080200 -0.01384431 0.02600606 -0.01117421 +C 4.45476486 6.49754286 6.81218952 0.00151825 0.00224144 0.00122279 0.00421065 0.01919219 -0.01725449 -0.00024504 0.00270197 -0.00392446 +N 6.44958114 6.78093875 5.43595079 0.00193044 0.00081280 0.00293805 0.01640144 0.00088427 0.01645802 0.00412354 0.00012587 -0.00001728 +C 3.10770984 6.29274049 6.89221893 -0.00594117 0.00296017 -0.00101577 -0.04133245 0.02985893 -0.01110049 -0.00436456 0.00562890 -0.00150094 +H 4.91172400 6.87558448 7.71153068 -0.01486444 -0.01871379 -0.01449487 0.05274269 -0.15158065 0.06514017 0.01673793 -0.02398658 0.01132559 +C 7.36237163 7.17538697 6.33161769 0.00292339 0.00741450 -0.00683059 -0.00213154 0.06720580 -0.00181629 -0.00421616 0.01055517 0.00706143 +H 6.84268032 6.72923779 4.51676361 -0.00043809 0.01534179 0.01706901 -0.00198626 0.06815395 -0.02073019 -0.00565915 0.00264794 -0.00570931 +O 7.14383911 7.44717078 7.53064535 -0.00504632 -0.00028979 0.00743858 -0.02342607 -0.01019445 0.02452879 -0.00113846 -0.00223234 -0.00099441 +C 8.68116936 7.54608662 5.70578576 -0.00062651 -0.00547726 -0.00378178 0.00153125 -0.01971257 -0.02560594 0.00149167 -0.00367974 -0.00243169 +H 9.42423980 7.88299900 6.42801535 0.00849533 -0.02214505 0.00462923 0.02570414 -0.20782064 0.00477120 0.00177085 -0.03290789 -0.00487528 +H 9.07802289 6.74933354 5.08602654 -0.03039627 0.00472056 -0.00986464 -0.13477412 -0.05209336 -0.10328122 -0.01007326 -0.00940195 -0.01040181 +H 8.47614392 8.45346283 5.05401937 -0.00311925 -0.00379599 0.00173343 0.04509409 -0.06597674 0.03406953 0.01323109 0.01701567 -0.00968255 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98770667 5.72940906 5.82979232 0.00051467 0.00218777 -0.00080096 0.00169753 0.02130892 -0.00363691 0.00066003 0.00149037 -0.00006605 +C 2.27701039 6.10395511 5.91736102 0.00372210 -0.01211347 0.00405183 0.04535728 -0.03254135 0.03121743 0.00691810 0.00195431 0.00410455 +H 0.87613820 4.79546187 5.87872284 0.00550443 0.02628235 -0.00370614 -0.01234498 -0.01548696 -0.03768290 -0.00545692 0.00820282 -0.00829095 +C 2.58636441 7.50178972 6.17325016 0.00225160 0.00709951 -0.00033177 0.03780562 -0.02781603 -0.01879275 0.00477582 -0.01272111 -0.00475813 +H 3.06944836 4.06643832 5.61272225 0.00980543 -0.02468383 -0.00580428 0.10636069 0.01409065 -0.11414958 0.00676407 -0.01483774 -0.02919424 +C 3.97118097 7.84113236 6.20359316 -0.00043820 0.00237614 0.00036951 -0.02199815 0.00992470 -0.00143287 -0.00033061 0.00449807 -0.00008946 +H 1.83954451 8.26159954 6.28747121 0.02526103 -0.00933654 -0.01552762 0.00149617 0.03441234 -0.08641621 -0.00245686 -0.00680769 -0.00922487 +C 4.99042227 6.90157448 6.05208447 0.00324991 0.00273811 0.00544289 0.04429624 0.01193138 0.03934907 0.00467260 0.00108312 0.00512547 +H 4.13878117 8.85875397 6.22808492 -0.00994335 -0.02139847 -0.00587569 0.06166991 0.10361568 0.06697211 0.00962896 -0.00424513 0.01882009 +C 4.69434684 5.51987265 5.80568800 -0.01155530 0.00191472 -0.00196690 -0.05999772 0.04007788 -0.02374403 -0.00392978 0.00904815 -0.00388569 +N 6.32602651 7.39911368 6.26252799 0.00678936 0.00320410 0.00033693 0.01674981 0.00954734 0.00033206 -0.00100215 0.00178136 0.00109530 +C 3.33175174 5.15483251 5.71923446 0.00329110 -0.00838221 -0.00497922 -0.00276837 -0.06686239 -0.01910098 -0.00336442 -0.00525870 0.00003632 +H 5.49162079 4.81404578 5.53368543 -0.01072753 0.00103474 -0.01163838 -0.11628386 0.01140271 0.04778915 -0.00713131 -0.00566104 0.01749786 +C 7.48564965 6.89325658 5.79447747 -0.00051512 0.00444555 -0.00660955 -0.00106090 0.05857759 -0.02824962 -0.00009197 0.00932115 -0.00282580 +H 6.36140237 8.17614047 6.85538000 0.00169224 0.01247168 0.00158476 0.07553293 0.05722688 -0.02418507 0.01453823 -0.01217558 -0.01882508 +O 7.59423153 6.07979311 4.94198804 -0.00850290 -0.00290424 0.00412016 -0.06390649 -0.04414457 0.00998029 -0.00937012 -0.00832937 -0.00027626 +C 8.76640472 7.50761530 6.29520829 0.00219881 -0.00000898 0.00236290 -0.00187128 0.00893506 0.01297239 -0.00277751 0.00177634 0.00387012 +H 8.86415418 7.21044651 7.32610819 -0.00266107 0.00792994 -0.01749692 0.06192478 -0.01596840 0.04486411 0.01454779 -0.00844134 0.01012817 +H 9.61876000 7.10130890 5.66213747 -0.02586541 0.00156194 0.00631376 -0.04030915 0.03621256 0.03429182 0.02991844 -0.00145017 -0.00976186 +H 8.66966876 8.61556827 6.24880837 0.01310665 -0.00400898 0.01456982 0.14278040 -0.02225963 0.05593882 0.02184793 0.01361337 0.00026834 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99036974 5.53593906 5.74901247 0.00121574 -0.00116805 -0.00057617 0.01737674 0.00877123 -0.00861341 0.00188311 0.00115309 -0.00063064 +C 2.26001694 6.11810645 5.78945028 -0.00275795 -0.00041451 -0.00604321 -0.03209255 -0.00233170 -0.05328614 -0.00220634 -0.00244883 -0.00625898 +H 0.96804718 4.83981542 6.33500826 -0.00286619 0.00444405 -0.00651079 -0.05703534 -0.04269324 -0.01581623 -0.00678115 0.01679394 -0.02351132 +C 2.57912663 7.36762497 5.17383322 -0.00884561 -0.00136766 0.00172061 -0.03372072 0.00418584 0.00614711 0.00110836 0.00327948 -0.00040384 +H 2.92580079 4.45039576 6.84062149 0.00266937 0.00119436 -0.00260865 0.13456778 -0.02740932 0.00347640 0.02438020 -0.02616526 0.01195966 +C 3.93269409 7.83873916 5.22018689 -0.00340026 0.00229033 0.00036690 -0.02038160 0.00175053 0.00198742 -0.00345448 -0.00421214 0.00238505 +H 1.83968635 7.94815590 4.63258391 0.01663940 0.03265209 -0.01939043 0.08077674 0.08174853 -0.00820980 -0.00687326 -0.00790997 0.01456075 +C 4.99726234 7.07661572 5.81637321 -0.00180572 -0.00193304 0.00259805 -0.00750658 -0.01635078 0.02237544 0.00076102 -0.00035567 0.00224723 +H 4.19025109 8.76661949 4.66150539 -0.02464005 0.01027522 0.01224350 -0.14652552 0.04803964 0.12733889 -0.00585176 0.01832842 0.01085031 +C 4.59075365 5.86286276 6.42520032 0.00288145 0.00318620 0.00707146 0.01492344 0.01616282 0.05269286 -0.00222380 0.00141540 0.00616787 +N 6.37341783 7.44215175 5.82163649 0.00938950 -0.00323380 -0.00571962 0.01801095 0.00399889 -0.06413419 -0.00553090 0.00525442 -0.01216091 +C 3.25989871 5.39687402 6.35943259 0.00222008 -0.00357274 0.00286510 0.02243806 -0.02527551 0.03360820 0.00296043 0.00035304 0.00405941 +H 5.38102247 5.31149802 7.02905448 -0.00688964 -0.00132089 -0.00225358 -0.10017860 -0.07779787 -0.05033586 0.01323288 -0.03411887 0.00893393 +C 7.53493138 6.82952556 6.06086814 -0.00344565 0.00285118 -0.00089470 -0.00972341 0.01482311 0.01565671 0.00200652 0.00132408 0.00469570 +H 6.50758600 8.33384688 5.40453840 -0.00745888 -0.00820004 0.00372954 0.01333855 0.05675261 -0.02033300 0.00915289 0.00541529 -0.00441229 +O 7.59155127 5.78118407 6.62963829 -0.00215935 0.00486841 -0.00154672 -0.01670779 0.00819599 -0.00320725 -0.00285500 -0.00256500 0.00088250 +C 8.85660808 7.49047370 5.79315905 0.00279543 -0.00340706 0.00114090 0.02394987 -0.02405354 -0.00174971 0.00294812 -0.00359397 -0.00174151 +H 8.72522159 8.61450723 5.77276789 0.02371642 -0.01344521 0.03447921 0.20706761 -0.08660541 0.21816628 0.02585088 0.01176160 0.02171060 +H 9.62473421 7.09466062 6.51770909 0.02176993 -0.00205869 -0.01564152 0.05803497 0.05282885 -0.10859754 0.01043012 -0.00362376 0.00373947 +H 9.16979403 7.12200927 4.80424559 0.00881822 -0.00912871 0.00396903 0.05086657 0.04071395 0.01047218 0.00610338 0.01941974 -0.01171367 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.06825846 5.68945842 5.60660541 -0.00250201 -0.00167119 -0.00207825 -0.01829023 -0.00731025 -0.01344778 -0.00209281 0.00229177 -0.00056417 +C 2.33819882 6.09524020 5.87988985 0.00203041 0.00490107 -0.00023090 -0.00869123 0.02692005 -0.01497299 -0.00350485 0.00063390 -0.00386340 +H 0.98938727 4.82754472 5.14996851 -0.00899870 -0.01573931 0.00487636 -0.01605989 -0.01900016 0.10420069 0.00131443 -0.02691249 0.00709206 +C 2.62668049 7.47621796 6.14814781 0.00043790 -0.00116171 0.00152048 0.01975187 -0.02190971 0.01687631 0.00243098 -0.00213827 0.00305600 +H 3.26704719 4.07029773 5.45725744 -0.00433835 -0.01257413 0.00083732 -0.13240205 0.11038428 0.01641205 -0.02727524 0.01586633 -0.00171654 +C 3.93316470 7.94962524 6.36055761 0.00435246 0.00205892 -0.00052233 0.04523421 -0.02442748 -0.00942439 0.00436606 -0.00541509 -0.00161683 +H 1.88215734 8.23300140 6.24109066 0.01703333 -0.03759840 -0.00119969 -0.14512601 -0.08759457 -0.03956515 -0.02094259 -0.00553942 -0.00850651 +C 5.02292034 6.96701415 6.32458360 0.00333719 0.00109549 0.00189134 -0.03001159 -0.00404236 -0.00874258 -0.00499044 -0.00289101 -0.00424569 +H 4.12359465 8.99281961 6.42616782 -0.02265657 0.00016540 -0.00877301 -0.07618301 0.03204732 0.03597319 0.00724909 -0.01530876 0.01579391 +C 4.63997027 5.62570946 5.98443544 0.00673223 -0.00281934 -0.00221927 0.05247656 -0.00967422 -0.02181804 0.00521104 -0.00140307 -0.00451528 +N 6.32816784 7.31456753 6.41379254 0.00047421 -0.00005390 -0.00089695 0.02768060 0.02394722 -0.00270146 0.00419028 0.00624937 0.00041266 +C 3.33733203 5.14420491 5.71435942 -0.00296418 0.00327894 0.00234940 0.02226560 0.02895903 0.03136947 0.00802274 0.00757485 0.00664903 +H 5.53765567 5.01784192 5.83165334 -0.01503749 -0.00091886 -0.03077569 -0.12738482 -0.18974866 -0.15059145 -0.00768740 -0.03716974 -0.00641996 +C 7.42533774 6.89681284 5.72803824 -0.00140098 0.00511345 0.00229886 -0.00780629 0.00569620 0.00567218 -0.00047129 -0.00317228 -0.00065052 +H 6.55241466 8.08764790 7.00836140 0.01208302 -0.00577179 0.00815403 0.01042826 -0.01261630 0.04947496 -0.00684564 0.00272585 0.00427390 +O 7.49351339 5.93328782 4.97939091 -0.00013486 0.00008391 0.00323231 -0.01208532 0.00155754 0.01810823 -0.00337528 0.00017954 0.00185107 +C 8.74442183 7.55696146 5.98451527 -0.00684513 -0.00197807 -0.00398945 -0.03823329 0.01701122 0.01532918 -0.00110942 0.00360238 0.00451111 +H 8.82160069 7.61298818 7.08414795 -0.00108755 -0.01697107 0.00945278 0.02382421 -0.10080006 -0.03530771 0.00969426 -0.00429175 0.00150081 +H 9.65676855 7.15132380 5.64678624 -0.02111671 0.00796359 0.00652771 -0.06730358 -0.16755802 -0.07834316 -0.02928646 -0.02963906 -0.01274669 +H 8.80708183 8.61179840 5.68455606 0.01170176 -0.01759370 -0.00803835 -0.02751302 -0.02740258 -0.10895127 -0.01627715 0.01243667 -0.01738096 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97255534 5.61027300 5.81238489 0.00250221 -0.00154725 -0.00141860 0.02878374 -0.00898240 -0.00436123 0.00454903 -0.00060920 -0.00238296 +C 2.30674055 5.97164944 5.92965885 0.00124462 0.00096561 -0.00678075 0.01529621 0.00360250 -0.03899918 0.00371902 -0.00029293 -0.00212996 +H 0.57271238 5.77916001 5.01041531 0.00770753 -0.01193360 -0.00091167 0.05040470 -0.05069346 -0.05800142 0.01962060 -0.00866183 0.01624070 +C 3.07907335 5.61552075 7.07280050 0.00471359 -0.00082670 -0.00311213 -0.00904755 -0.02074261 -0.01236001 -0.00766481 -0.00341899 -0.00311151 +H 2.45242102 7.00251779 3.96714931 0.02010266 -0.00968767 -0.00181176 0.10356483 -0.06633413 -0.02891457 0.00830622 -0.00243706 -0.00593595 +C 4.46265057 5.86987759 7.21509573 -0.01067553 0.00398289 0.00025749 -0.07147216 0.02353727 0.01313878 -0.00606888 0.00253830 0.00536336 +H 2.56125257 5.06561278 7.87531694 0.01469492 -0.00577359 0.01503670 0.11534227 0.01111805 0.00740730 -0.00094240 -0.00588572 0.00388858 +C 5.08010338 6.52995500 6.19655865 -0.00110788 0.00073108 0.00598865 0.04171211 0.00387533 0.04423469 0.01013551 0.00017453 0.00573313 +H 5.07325813 5.57778339 8.02056652 -0.00931585 0.00267200 0.01162002 -0.18849404 -0.01707684 0.11091767 -0.04631712 -0.00031285 0.00339756 +C 4.36693167 6.92497826 5.06439055 0.00478523 -0.00238853 0.00935566 -0.00389106 -0.01739152 0.04623054 -0.00132588 -0.00060737 0.00190859 +N 6.49094238 6.61337081 6.36606504 0.00743100 -0.00168707 -0.00403062 0.03548433 -0.01969352 -0.03106130 0.00160193 -0.00369602 -0.00408499 +C 2.95941565 6.64882297 4.87224209 0.00289773 0.01002364 0.00174550 0.04544914 0.06465384 0.03509939 0.00753759 0.00684088 0.00737362 +H 4.88310310 7.40813297 4.25541876 -0.02629258 -0.03337362 0.02786824 0.00583863 -0.06172572 -0.04794993 0.01450365 0.00286202 -0.01616339 +C 7.38126357 7.31112244 5.64482532 0.00352257 -0.00368771 0.00517087 0.01808639 -0.00415031 0.03666381 -0.00101057 0.00618286 -0.00037561 +H 6.96036513 6.01359412 7.06866115 0.02145846 0.00712854 -0.00471652 0.02071981 0.06247990 -0.01731597 -0.00359847 -0.00611193 0.01762088 +O 7.10858813 8.12061454 4.82194375 -0.00911731 0.00170831 -0.00589253 -0.06294267 0.01143324 -0.04677544 -0.00752513 -0.00043543 -0.00497307 +C 8.83836565 7.20122528 6.09659454 -0.00552497 0.00021740 -0.00495489 -0.02913374 -0.00784494 -0.02161887 -0.00006075 -0.00347705 -0.00114142 +H 9.41374013 7.06788297 5.21881052 -0.00586928 -0.02840909 0.00346403 0.04608142 -0.13514430 -0.01797658 0.00200762 -0.00061744 0.01297512 +H 9.15177468 8.09730575 6.61302720 -0.01165697 -0.01319437 0.02336697 -0.06092241 -0.02781689 0.05924805 -0.00377042 0.00018036 -0.01345237 +H 9.07925925 6.40348199 6.77684567 -0.00737082 0.00600667 0.00673712 -0.12685298 -0.02268242 0.01581335 -0.02752463 -0.00568909 -0.00734591 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98721819 5.78461571 5.91196007 -0.00061952 0.00164395 0.00010011 -0.00977767 0.00598923 -0.00370720 -0.00265603 0.00152211 -0.00307861 +C 2.31150727 5.95579851 5.88188752 0.00186107 0.00748171 -0.00307200 0.02761727 0.05087155 0.01187167 0.00347703 0.00720095 0.00448481 +H 0.54921545 6.21958157 5.22837289 -0.00806153 -0.01755505 0.01625680 -0.10981626 -0.04255620 -0.02154380 0.00352079 -0.01343069 0.01025500 +C 3.02120227 5.54138041 7.03278658 -0.00687355 0.00092673 0.00445606 -0.03022895 0.00096865 0.00487436 0.00002063 -0.00031797 -0.00204080 +H 2.71666173 6.96395218 3.96293825 0.01608633 -0.00133881 -0.02516499 -0.09766051 0.02038977 -0.05801978 -0.02876479 0.00243007 0.02323303 +C 4.41680040 5.72141250 7.13366162 0.00156696 -0.00983435 -0.00058141 -0.00299363 -0.05638299 0.00266608 -0.00290908 -0.00711336 0.00317545 +H 2.46809459 4.93380327 7.75688622 -0.00077592 0.01435147 -0.00936447 -0.04303772 0.08677114 0.07404151 -0.01083818 0.00919549 0.02287769 +C 5.13733571 6.48296610 6.18526914 0.00240685 -0.00128662 0.00854417 -0.00030941 -0.00471124 0.05567293 -0.00179963 -0.00034346 0.00700101 +H 4.92684542 5.40201564 8.01257942 -0.01247365 -0.01388013 -0.00678702 -0.03913432 -0.17755938 0.01923983 -0.00460281 -0.02556755 -0.00456315 +C 4.39894285 7.00915743 5.08616640 0.00537520 -0.00385163 0.00169222 0.01339375 -0.04617991 0.02889242 -0.00086247 -0.00713595 0.00299485 +N 6.46533639 6.77475998 6.47859569 0.00193811 -0.00140053 0.00426833 0.02372080 -0.00778895 0.01098128 0.00457524 -0.00066402 -0.00182282 +C 3.03327319 6.66252068 4.91776380 -0.00066105 0.00163382 -0.00604659 0.02118091 0.01908689 -0.06072869 0.00492168 0.00277199 -0.00980459 +H 4.82752718 7.70460670 4.39126041 -0.02869186 -0.02756962 0.00270586 -0.02454430 -0.11087455 -0.12531921 0.01758782 -0.01848815 -0.01183844 +C 7.41348833 7.28526714 5.66985423 0.00018591 0.00293899 -0.01278013 -0.03251661 0.00815787 -0.06166232 -0.00604909 -0.00157268 0.00016821 +H 6.75616988 6.48240148 7.41232744 0.00826793 0.00510423 -0.01093605 0.11600065 0.03368500 -0.00282228 0.02021311 0.00377934 0.00712178 +O 7.12487592 7.61156630 4.50151595 -0.00705892 0.00064474 0.00064799 -0.03231039 0.00897936 -0.00392774 -0.00274338 0.00244869 -0.00369238 +C 8.76558871 7.50301920 6.25588218 -0.00065333 0.00226887 0.00428515 0.04033025 0.01695413 0.01790645 0.00818931 0.00388938 0.00055688 +H 9.22086297 6.60879861 6.67591711 0.04642617 -0.00842107 0.00414032 0.09180389 0.08179514 0.02122271 -0.01766884 0.02003017 0.00931929 +H 9.49340686 7.80850921 5.48931075 0.03776319 0.00670217 0.01288199 0.05560255 0.02264058 0.10894398 -0.00876667 0.00618852 0.00056712 +H 8.77333542 8.30853110 6.97137465 -0.00182653 0.02243551 -0.01318351 -0.04542214 0.09023425 -0.04111396 -0.00799785 -0.00670247 -0.00205243 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99803696 5.83733803 5.84185806 0.00228726 0.00230121 -0.00570125 0.00825175 0.01143412 -0.04581259 -0.00267943 0.00088233 -0.00420820 +C 2.35693073 5.99787085 5.72884727 -0.00891619 -0.01111913 -0.00164344 -0.06018641 -0.06704364 0.00716876 -0.00249104 -0.00628861 0.00343974 +H 0.68558404 6.05595234 6.68048633 0.02641570 -0.02719993 -0.00426989 0.10899624 -0.18977195 0.05037517 0.01137546 -0.03192627 -0.02224764 +C 2.90099088 6.40448779 4.52956208 0.00025754 0.00240982 0.00713098 -0.01732375 0.02177366 0.03066312 -0.00431048 0.00270873 0.00461334 +H 2.70674639 5.59701016 7.85195600 -0.01693311 0.00605532 0.01360330 -0.08016328 0.07533033 -0.01241965 -0.00474441 0.01225207 -0.00195344 +C 4.23788069 6.73194324 4.47092544 -0.00512782 0.00287247 0.00710152 -0.00320119 0.03900186 0.03142514 0.00111477 0.00593085 -0.00003809 +H 2.29664368 6.63090086 3.63502821 -0.00544754 0.00244519 -0.00274228 -0.01924770 -0.06126582 0.08070993 -0.01203594 -0.01349898 0.00069136 +C 5.11875750 6.62217796 5.59326407 -0.00234521 -0.00073720 -0.00450301 -0.03010182 -0.00040560 -0.02293047 -0.00247806 0.00108632 -0.00012997 +H 4.61057286 7.31221389 3.62822821 -0.00204245 -0.02972877 -0.03264576 -0.05476454 -0.34156121 -0.12432653 -0.00437975 -0.04917429 -0.00376871 +C 4.49350690 6.20326851 6.83055967 0.00143404 0.00133150 -0.00002344 0.02261417 -0.00231755 -0.00430502 0.00389902 -0.00108445 -0.00030509 +N 6.44249489 7.00915056 5.34877221 0.00490928 0.00288700 -0.00028617 0.01880018 0.00532016 0.00609543 -0.00118815 -0.00125173 0.00114238 +C 3.10740615 5.92154662 6.89296987 -0.00319359 0.00157498 0.00393130 -0.00580731 0.00401779 0.03017957 0.00079693 -0.00047131 0.00214497 +H 5.04086758 5.91100230 7.68179123 0.02088265 0.01645118 0.02318039 0.07111370 0.24524172 0.03414804 -0.01080228 0.04492892 -0.02168801 +C 7.41556109 7.16376372 6.26513557 0.00380838 -0.00668933 0.00042218 0.01384754 -0.04840160 0.00646919 0.00171867 -0.00584509 -0.00098350 +H 6.71297740 7.01699530 4.38297715 -0.00931119 0.03713722 -0.00729281 -0.03276270 0.30044695 0.02963477 0.00002095 0.04131371 0.02186697 +O 7.23815485 6.96912596 7.48558696 -0.00363764 0.00349856 -0.00391172 -0.01668672 0.02737627 -0.03059214 -0.00106552 0.00389431 -0.00334717 +C 8.75918585 7.53880132 5.72907184 0.00792223 -0.00044408 0.00144529 0.05510885 -0.00431076 0.00122415 0.00762375 0.00023721 0.00097897 +H 9.16370441 6.73552445 5.11093267 0.00488883 -0.00359842 -0.01327713 0.03187158 0.04817864 -0.05733739 0.00563293 0.01377028 -0.00747543 +H 8.68288800 8.44511105 5.16325519 0.01245152 0.01303296 0.02274578 0.06950435 0.08186577 0.08399072 0.00963128 -0.00252847 0.00946075 +H 9.45335367 7.79952805 6.50636205 -0.00428221 -0.01806522 -0.00791575 0.07657198 -0.16102581 0.09122382 0.01126409 -0.02915593 0.01333401 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01341455 5.69819969 5.71072917 0.00564216 -0.00299509 0.00144649 0.04896846 -0.02279501 0.01517153 0.00746348 -0.00095300 0.00350477 +C 2.33545756 6.08761862 5.93438794 0.00052307 0.00037925 0.00243882 0.00234605 -0.00468213 -0.00182051 0.00131722 -0.00082197 -0.00253983 +H 0.91017372 4.76083813 5.45452608 0.01160010 -0.01323994 -0.00724348 0.10122108 0.02703168 -0.01899122 0.01269353 -0.02118475 -0.01050431 +C 2.65511259 7.44197102 6.19687807 0.00914119 0.00157102 -0.00060003 0.03388246 0.00041630 0.00033645 -0.00283047 0.00228213 0.00122185 +H 3.36955340 4.10445073 5.69484419 0.01941480 -0.00148432 0.00406024 -0.09084436 -0.01854103 -0.10756717 -0.04015798 0.00791312 -0.02998063 +C 3.95668058 7.90411165 6.38238631 0.00400107 0.00628733 -0.00283827 0.04329247 0.01938548 -0.04669784 0.00514876 0.00288348 -0.00923159 +H 1.85144701 8.06187046 6.23934827 0.01952663 0.00220923 0.00541213 0.02730786 0.15308466 0.07760501 0.02680899 -0.00032648 0.00946059 +C 5.03353322 6.99740443 6.05202781 -0.00344313 -0.00228353 0.00176480 -0.04842367 0.01475916 0.03574893 -0.00599637 0.00470130 0.00719075 +H 4.13406879 8.92286318 6.56829309 -0.00735059 0.00348824 -0.01645041 -0.00299841 0.09032814 -0.05754735 0.00650681 -0.00895887 -0.00498891 +C 4.67958034 5.64947624 5.83811991 -0.00741181 0.00303153 0.00066357 -0.02003366 0.00000845 -0.01108044 0.00048932 -0.00049841 -0.00245398 +N 6.31200749 7.48732125 6.15361499 -0.00590428 0.00494708 0.00632136 -0.01897334 0.02706193 0.03901477 -0.00087604 -0.00268960 0.00285888 +C 3.39506778 5.17467158 5.73830635 -0.00234855 -0.00242360 -0.00528412 -0.02503391 -0.00733737 -0.01132091 -0.00425680 -0.00107673 0.00127726 +H 5.37043953 4.81067539 5.61683558 -0.00840426 -0.00103605 0.00799981 0.06033894 0.11705835 0.11941586 0.03464844 0.01090522 0.01746847 +C 7.43534695 6.86534016 5.78521514 -0.00032691 -0.00679201 0.00473495 -0.01298764 -0.05109534 0.01047588 -0.00331040 -0.00446007 -0.00047269 +H 6.49472347 8.46077547 6.48878691 -0.01088095 0.03093048 -0.00166583 -0.15551009 -0.01770423 -0.01494858 -0.01674666 0.01103115 0.01303294 +O 7.48046238 5.87296640 5.00770163 0.00038967 -0.00372650 -0.00825398 0.00174846 -0.00895567 -0.03556802 -0.00010744 0.00089660 -0.00188162 +C 8.71188077 7.49720190 6.26085903 -0.00203498 0.00264555 0.00050312 0.00017229 0.01521254 0.01426467 -0.00108501 0.00033998 0.00003615 +H 9.01214045 7.24641168 7.33678275 0.00009348 0.00352710 0.00354614 -0.06466309 -0.04787889 -0.09268489 -0.00487832 -0.02302320 0.01361692 +H 9.52411877 7.16661455 5.58483138 -0.00672253 -0.01167686 -0.00190325 -0.03722626 0.00255305 0.03361606 0.00837649 0.00953999 0.00217069 +H 8.67033053 8.60868618 6.30123594 -0.00832919 -0.00355918 0.00997496 -0.05979005 -0.01916136 -0.03703407 -0.00643615 0.01245931 -0.01651954 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04115228 5.74279055 5.57535179 0.00472869 -0.00046597 -0.00628828 0.02201400 -0.01040735 -0.04159865 0.00345608 -0.00190653 -0.00584135 +C 2.32122484 6.07564815 5.83967252 0.00237007 -0.00321689 0.00083271 0.02157274 -0.00903899 0.00199373 0.00216763 0.00148148 -0.00142681 +H 0.40688198 5.47033361 6.27541956 0.03091153 0.00177315 0.01854636 0.30201102 0.02119327 0.11371558 0.02854832 -0.00530304 0.02800062 +C 2.64796244 7.44910158 5.88935754 -0.00386716 -0.00026808 0.00063926 -0.00452741 0.01220862 0.01607665 0.00248267 0.00240435 0.00373612 +H 3.12696571 4.09845369 6.01572717 0.00422709 0.00255030 0.01141693 -0.00916331 -0.12798594 0.00270386 0.00064137 0.00865987 -0.01320223 +C 4.01594009 7.89714863 6.03840280 0.00177775 0.00298534 0.00754048 -0.04693458 0.03508370 0.03723218 -0.01168038 0.00536166 0.00331891 +H 1.83800891 8.17540151 5.85852758 -0.00592371 0.01501182 0.00177659 0.04240285 0.02045974 -0.05195298 0.00620002 -0.00315526 -0.01506894 +C 5.01141551 6.99051626 6.12439502 0.00157429 0.01069746 0.00047663 0.01363026 -0.00069860 0.00783898 -0.00077602 -0.00771385 0.00181964 +H 4.24622090 8.94846654 5.98068082 -0.00260693 0.00518512 0.00048865 -0.05003656 0.03907902 0.05462188 -0.01252329 0.00512233 0.01400892 +C 4.65578953 5.56542766 6.16478332 -0.00696136 -0.00124067 0.00821283 -0.00650439 0.03375626 0.04348893 0.00438373 0.00672705 0.00356389 +N 6.32994137 7.47277534 6.16505902 -0.00038340 0.00145542 -0.00592125 -0.00879082 0.00153656 -0.04096934 0.00089674 0.00359420 -0.00428159 +C 3.34528026 5.10871093 5.98620854 -0.00362667 -0.00770741 -0.00281680 -0.02380748 -0.02795537 -0.00521509 -0.00133423 -0.00300587 0.00223509 +H 5.48612411 4.93238924 6.24713469 0.01228510 -0.00272642 -0.00601633 -0.06808202 -0.09304079 0.01242361 -0.03766845 -0.00461401 0.00969125 +C 7.44826730 6.84907124 5.80900095 0.00067103 0.00672974 -0.00448999 0.01359759 0.04757873 -0.02475583 0.00150551 0.00203766 -0.00390100 +H 6.38078305 8.41854436 6.39527040 0.03391067 -0.02718592 -0.00635769 0.21655561 0.02662049 0.03941651 0.00275750 -0.01485797 0.00289256 +O 7.48982838 5.76778180 5.26068322 -0.00228718 -0.00320332 0.00158469 -0.00866320 -0.01988084 0.01169676 -0.00002618 -0.00084072 0.00234049 +C 8.73660285 7.66101083 6.15293902 0.00084291 -0.00195717 0.00090846 -0.00678776 -0.03212993 0.00147753 -0.00132520 -0.00542062 0.00071178 +H 9.58085866 7.02521277 5.86341638 -0.01892236 0.00946789 -0.00423339 0.01123194 0.00963877 -0.07923667 0.01595667 -0.00507269 -0.01592708 +H 8.82046668 8.61267968 5.62942496 -0.01081325 -0.02222153 0.00508739 -0.07720757 -0.02637596 -0.04908585 -0.00883070 0.00709045 -0.00731709 +H 8.85841312 7.87705546 7.18218697 0.00952827 -0.01559957 0.00153776 0.01631617 -0.11089927 0.07024361 -0.00745263 -0.01651416 -0.00785971 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94784947 5.80524356 5.74877635 -0.00221165 -0.00335724 -0.00490056 -0.00884003 -0.02011962 -0.02764521 0.00013780 -0.00243130 -0.00322986 +C 2.28144804 6.06937990 5.90920090 -0.00143116 -0.00083919 0.00576546 -0.00629771 0.00078357 0.03944507 0.00101017 0.00077764 0.00350378 +H 0.66093264 5.45556036 4.89416293 0.01516900 0.00407788 0.00609736 0.11344693 -0.01696590 -0.07061463 0.01567761 -0.00580503 -0.01670784 +C 2.69801813 6.65969537 7.10117997 -0.00207889 0.00683966 0.00283884 0.01942442 0.06159541 0.02116542 0.00569969 0.00830259 -0.00070484 +H 2.90831926 5.52975518 3.94411941 0.00699224 0.00373439 0.01305075 0.06259343 -0.08252241 0.00236096 0.00681148 -0.02530942 -0.01835654 +C 4.10876167 7.03855007 7.22937195 0.00440155 0.00110056 -0.00295335 -0.02389951 0.00963365 0.02037581 -0.00708609 0.00165046 0.00788762 +H 2.00409822 6.94499297 7.94336962 -0.02863812 0.01140541 -0.01691685 -0.09672599 0.02171354 -0.18739014 -0.01317933 0.00861323 -0.00214650 +C 5.06912573 6.76307932 6.29637914 0.00319816 -0.00862453 0.00094075 0.03646634 -0.05613304 -0.00086913 0.00508297 -0.00524387 0.00303919 +H 4.37527397 7.55315053 8.13129804 -0.01985178 -0.00085191 0.00627993 -0.05756801 0.00848749 0.03708784 0.00498857 0.00296834 0.00049617 +C 4.59873910 6.12428801 5.11565168 0.00009149 0.00758054 0.00632039 0.00539438 0.04720287 0.04440392 -0.00113674 0.00466680 0.00315036 +N 6.40261257 7.19446841 6.49131548 0.00425203 -0.00565331 -0.00521266 0.02003941 -0.03524596 -0.03536173 0.00125609 -0.00497879 -0.00508647 +C 3.25147182 5.87025311 4.93262089 0.00489751 -0.00067019 -0.00234867 0.00330202 -0.00998076 -0.01617405 -0.00363289 -0.00136879 0.00123579 +H 5.33090608 5.77558370 4.33174439 -0.03245986 0.02837854 0.02192061 -0.10692778 0.20278984 -0.05741861 0.01911300 0.02302291 -0.04342079 +C 7.45752936 7.00389214 5.68264237 0.00155342 -0.00087902 -0.00368414 0.01037897 -0.01963577 -0.03363196 0.00061970 -0.00275061 -0.00340303 +H 6.59812842 7.82366933 7.26476711 0.00669067 -0.01023589 0.00188671 -0.00151010 -0.09801918 -0.00422554 -0.00301295 -0.00985181 0.00390900 +O 7.50465899 6.17848034 4.76413833 0.00084031 0.00279965 0.00346366 0.00357334 0.01373662 0.01646383 0.00028404 -0.00038152 -0.00049367 +C 8.71502624 7.79400236 5.88585583 -0.00736166 -0.00263454 -0.00133982 -0.04477428 0.01423449 -0.01406282 -0.00561716 0.00786791 0.00126566 +H 8.44576242 8.79012713 6.10648439 0.01548696 -0.00244130 0.02294465 0.04115084 0.01907374 0.21760201 -0.00303600 -0.01433266 0.01936490 +H 9.31829325 7.32340048 6.67381046 -0.02826729 0.02236263 -0.01898414 -0.02570384 0.04201105 0.02098669 0.01549339 -0.01283016 0.01152951 +H 9.34513451 7.98125618 4.97831727 -0.01141111 0.00865625 -0.00704489 -0.12356575 -0.07386701 -0.01225063 -0.00670853 -0.01829921 -0.01523451 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.03098577 5.72644917 5.92945168 -0.00334184 -0.00074075 -0.00192720 -0.02300493 -0.01477723 -0.02206438 -0.00399170 -0.00245719 -0.00217625 +C 2.35980984 5.90065262 5.79396718 -0.00066281 0.00307108 0.00177084 -0.00845932 0.03428279 -0.00373622 -0.00114224 0.00661012 -0.00215647 +H 0.77383222 6.10679815 6.73794074 -0.00943154 -0.03296527 -0.01166973 -0.15286375 -0.16694260 0.03154310 -0.01425238 -0.02681106 -0.01767308 +C 3.08670254 5.22837407 4.79916126 0.00563034 0.00212515 0.00230962 0.04927035 0.01026356 0.04516800 0.00544112 -0.00249672 0.00770175 +H 2.29932946 7.46835114 7.22215818 -0.00454818 0.03596567 -0.00951866 0.05450351 0.16078792 -0.10109283 0.02212104 0.00130423 -0.01696041 +C 4.49705402 5.45308823 4.75636024 0.00045766 -0.00749894 0.00434794 0.01218243 -0.03407012 0.04414806 0.00379764 0.00011817 0.00845226 +H 2.59505860 4.43896896 4.32457549 0.02371097 0.00504454 0.00207739 0.12012855 0.00078244 -0.14289946 0.02063042 0.02464333 -0.01599072 +C 5.12375361 6.40790741 5.65352795 -0.00656526 0.00086209 0.00463410 -0.03636047 -0.00079156 0.02370092 -0.00063823 -0.00236560 0.00080943 +H 5.07159981 4.77869741 4.11833081 0.00862801 0.01386623 -0.02113992 0.03018611 0.17526179 -0.08464904 0.00237894 0.02335872 -0.00374344 +C 4.34118515 7.14133971 6.59443922 0.00238736 0.00246731 0.00153618 -0.01093432 0.00776783 -0.01039961 -0.00361714 0.00037857 -0.00181730 +N 6.49430766 6.58327639 5.61142256 0.00079008 0.00177336 0.00094551 0.00541037 -0.00735329 -0.00551106 0.00077334 -0.00252257 -0.00200011 +C 2.92046514 6.91876179 6.56493537 0.00385156 0.00174181 -0.00297467 0.04014181 0.02822420 0.00457541 0.00432764 0.00651679 0.00351225 +H 4.76218940 7.93628548 7.17077016 0.01264824 -0.01862591 0.02429322 0.01450153 -0.14833804 0.17914901 -0.01327974 -0.02505499 0.01066908 +C 7.36228201 7.42690968 6.19633074 0.00637555 -0.00088978 -0.00859067 0.00822779 0.00393549 -0.05076867 -0.00598435 0.00333004 -0.00387845 +H 6.83759620 5.80901010 5.02039175 0.02498423 0.02519047 0.00069608 0.25100919 0.18555861 -0.00871922 0.03188886 0.01037887 -0.01206044 +O 7.02265050 8.38471618 6.86563693 -0.00616196 -0.00121156 0.00284031 -0.03290107 -0.01162837 0.01683511 -0.00252026 -0.00301099 0.00101531 +C 8.82743425 7.16950450 5.94121645 -0.00646271 -0.00469995 -0.00391686 -0.01073512 -0.02575624 -0.02733220 0.00215456 -0.00051547 -0.00377325 +H 9.12709750 6.08984832 6.14336095 0.01658131 -0.00054033 -0.02275254 0.02142959 0.04734260 -0.21921518 -0.00317543 -0.02087237 -0.03355168 +H 9.12722492 7.50213740 4.93040395 0.02242634 0.02851896 -0.00208210 0.08148494 0.12320840 0.12559152 0.00514215 0.01575144 0.01989564 +H 9.40485949 7.75275265 6.67899487 -0.01485195 -0.01649280 0.02299223 -0.12456677 -0.14063004 0.07774047 -0.01054445 -0.01878833 0.01017814 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96546000 5.63596319 5.91661353 0.00070365 -0.00419704 -0.00237672 0.01042201 -0.01461755 -0.01069450 0.00358300 -0.00167388 -0.00226399 +C 2.32296627 5.92023680 5.87673078 0.00018429 0.00322226 -0.00479581 -0.00521558 0.02488264 -0.03853504 -0.00347264 0.00332373 -0.00525305 +H 0.42997864 6.31116326 6.34051869 -0.01926552 -0.01068010 0.03109465 0.00708801 -0.19554498 0.12377235 -0.00169495 -0.01617829 0.02718596 +C 3.20967643 5.01144519 5.22578520 -0.00700266 -0.00229951 0.00551545 -0.06118469 -0.01256432 0.02674129 -0.00586113 0.00136129 0.00208161 +H 2.26042479 7.94882717 6.81286433 -0.00362106 0.00093933 -0.01661202 -0.03294613 -0.03030677 -0.08586223 -0.01938003 0.00812951 0.00321997 +C 4.54463125 5.26652488 5.16792863 -0.00030136 0.00818166 0.00247513 0.01418457 0.02649556 0.00181657 0.00125035 0.00002782 -0.00004401 +H 2.90033945 4.10653877 4.68030181 -0.01523625 0.00407054 -0.02177521 -0.16399788 0.07967097 0.03347887 -0.03272436 -0.00317460 0.02148925 +C 5.12277505 6.39880881 5.67222541 0.00435677 0.00879915 -0.00152217 0.05907835 0.06326484 0.00480222 0.00979607 0.00495733 0.00134692 +H 5.19190905 4.54961585 4.66784288 0.00048412 -0.01924681 0.02471366 -0.04314771 -0.07489223 0.16583172 -0.00243573 -0.00658859 0.01181861 +C 4.27129224 7.37532305 6.27729168 0.00706490 -0.00591750 0.00470370 0.03242306 -0.03371606 0.04028968 0.00007055 -0.00293249 0.00568178 +N 6.56409802 6.44648796 5.67964258 0.00286678 -0.00158319 -0.00145630 0.01970789 -0.01066238 -0.01583186 0.00219664 -0.00076112 -0.00285276 +C 2.89505974 7.15526157 6.34633827 -0.00461097 -0.00013142 0.00153219 -0.03380190 -0.01483518 0.00719615 -0.00059244 -0.00443648 -0.00031744 +H 4.58539332 8.25506780 6.86095820 0.01838054 0.00362681 -0.01960604 0.14240809 0.00715829 -0.20567578 0.01213337 0.00911141 -0.02172230 +C 7.39133214 7.44051204 6.07242885 0.00362405 0.00171883 -0.00658520 -0.00464253 -0.00639445 -0.05120213 -0.00371375 -0.00140965 -0.00647288 +H 7.10029043 5.66428337 5.33512205 -0.00021951 -0.02321393 0.00619044 -0.11593758 -0.09631148 0.06659518 -0.01986825 -0.00991108 0.00866683 +O 6.89434779 8.46753490 6.46154562 -0.00307451 -0.00077063 -0.00040639 -0.00486585 0.01127859 -0.00026588 0.00232854 0.00304017 -0.00034559 +C 8.89716836 7.19939393 6.06896967 0.00043400 0.00071382 0.00216478 0.00834595 0.00898258 0.02987132 -0.00122197 -0.00011001 0.00579956 +H 9.53587467 7.71331017 5.29150532 0.00232767 -0.00423331 0.02520431 -0.05528177 0.04233873 0.07122167 -0.00114437 0.02618968 -0.01612597 +H 9.19133575 7.73672867 7.00478167 -0.02225383 -0.01660195 0.01123179 -0.06242564 -0.16769848 0.08620970 0.01145719 -0.02202749 0.02786934 +H 9.28647703 6.17842001 6.16369375 -0.00747472 -0.00405628 -0.01759457 -0.14727967 -0.03191018 -0.11160426 -0.02607180 -0.00597218 -0.01497293 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92886984 5.66726058 5.90473900 0.00442380 0.00611195 -0.00208905 0.02552951 0.03612465 -0.01896544 0.00251795 0.00412787 -0.00283577 +C 2.26899272 5.95078217 5.96710411 0.00057906 -0.00273109 0.00526614 0.02436386 -0.00504076 -0.00355983 0.00532635 0.00154853 -0.00745441 +H 0.54522196 5.70632859 5.06912738 -0.01771708 -0.01354760 -0.00915657 -0.01717931 -0.04915155 0.00454076 0.01464584 -0.00012408 0.00734354 +C 3.03826389 5.51516644 7.03565377 -0.00269523 -0.00461576 -0.00989254 -0.00846493 -0.03722461 -0.03308434 0.00182018 -0.00354506 -0.00116608 +H 2.51171755 6.71264658 3.97049530 0.00263595 -0.01169979 0.00911558 -0.02594840 0.06745244 0.01943185 -0.01188019 0.02939900 -0.00526302 +C 4.37779365 5.90784718 7.17059216 -0.00497888 -0.00160587 -0.00023119 -0.01740323 -0.02269210 0.01916870 -0.00134850 -0.00503791 0.00585141 +H 2.65096753 4.80401720 7.82937017 -0.00187413 0.01043146 -0.00516942 -0.10546719 0.15038320 -0.04848453 -0.03902337 0.00435912 0.01923450 +C 5.08936759 6.59942919 6.15803054 0.00388983 0.00077874 0.01253053 0.02522988 0.00663450 0.09758557 0.00116886 0.00223257 0.01012426 +H 4.92581563 5.61708264 8.05896281 -0.01779046 -0.00138802 0.03366730 -0.18529863 -0.01423385 0.06356250 -0.02003037 -0.00557004 -0.00206339 +C 4.38843459 7.04739961 5.06022896 -0.00001299 -0.00462283 0.00025809 -0.01439005 -0.04414927 -0.01974536 -0.00270559 -0.00980014 -0.00050211 +N 6.46191250 6.75610788 6.41747428 0.00543658 -0.00170341 0.00793941 0.03353162 0.00944786 0.02728310 0.00517228 0.00361959 0.00214927 +C 3.01717831 6.59573405 4.93189348 -0.00280257 0.00170330 0.00015315 -0.01931086 0.01668836 0.00350651 -0.00219123 0.00284328 0.00075030 +H 4.86899359 7.59825960 4.25176298 0.01339089 0.00337717 -0.03312572 -0.04225378 -0.13149688 -0.01596914 -0.01106085 -0.02490339 0.00720068 +C 7.42147057 7.31525145 5.63699342 0.00193298 0.00195800 -0.00738207 0.00434035 -0.00635834 -0.01405289 -0.00178651 -0.00289088 0.00200474 +H 6.72649994 6.50835706 7.34871178 0.01355432 0.00982287 -0.01102044 0.16395671 -0.01995511 0.01936785 0.01878348 -0.00858426 -0.00770917 +O 7.23689254 7.85231251 4.56510301 -0.00305574 0.00300828 -0.00430836 -0.02155095 0.02230219 -0.03755864 -0.00290555 0.00270128 -0.00522091 +C 8.82959505 7.23329876 6.23369741 -0.00138681 -0.00027337 0.00028180 -0.02124755 -0.00427326 -0.01039121 -0.00236819 0.00092191 -0.00487179 +H 8.80064541 7.66071719 7.24951118 0.00400320 0.01625612 -0.00445125 0.08551028 0.01221844 -0.03958966 0.01418093 -0.00654673 -0.00049018 +H 9.25075779 6.24282021 6.08833402 0.00610845 -0.01448049 0.00121408 -0.01885336 -0.00739485 0.13033850 -0.00930205 0.01080788 0.02726764 +H 9.45079313 7.84176285 5.62296190 -0.03433760 -0.00774475 -0.00158254 -0.06324350 0.08239563 -0.08497052 0.00280469 0.00604785 -0.00394735 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94395852 5.82175395 5.90302196 0.00348929 -0.00415991 0.00149262 0.03246829 -0.02689093 0.01432201 0.00506719 -0.00328335 0.00202054 +C 2.31030910 6.04157183 6.02800633 -0.00044831 0.00588500 -0.00387560 0.00593717 0.01569034 -0.00958056 0.00345406 -0.00069234 -0.00003414 +H 0.58739992 6.11701439 5.11120694 -0.00616268 0.01497240 -0.00103139 -0.00615517 0.06992321 0.07112196 0.00614273 0.00264722 0.02633254 +C 3.14387952 5.49034902 7.08225818 0.00290455 0.00102028 0.00075843 -0.01523827 0.02487979 -0.01738601 -0.00611322 0.00587557 -0.00538861 +H 2.47186644 7.03933411 4.11776468 -0.00525706 0.00119682 -0.00277659 -0.08537302 0.01205308 -0.03412783 0.00364877 -0.00348187 0.01588662 +C 4.51690939 5.75734217 7.09905600 0.00317045 -0.00012425 -0.00067255 -0.00968849 -0.01628072 0.01645395 -0.00659580 -0.00331030 0.00376812 +H 2.70055682 4.90697296 7.90390989 0.00869243 0.00643173 -0.00238899 0.01371645 0.03658382 -0.02241602 -0.01186724 -0.00083002 0.00322660 +C 5.10650822 6.48265706 6.08994169 0.00132877 -0.00408727 0.00279601 0.00961090 -0.03077574 0.01574208 0.00007831 -0.00466766 0.00041021 +H 5.04997765 5.32255079 7.98475490 -0.03240734 0.01017391 -0.00210536 -0.04921600 0.07892907 0.03225510 0.02729453 0.00158239 0.02644184 +C 4.31925905 6.85635027 5.01463624 -0.00789501 -0.00258074 0.00445739 -0.01302429 -0.00294416 0.00750139 0.00601863 0.00223182 -0.00081944 +N 6.44011875 6.72583400 6.30852631 0.00116462 -0.00158586 -0.00604470 -0.00177014 -0.03074473 -0.02085032 -0.00125032 -0.00687584 0.00097377 +C 2.93362015 6.68580306 4.97703323 0.00856558 0.00536212 -0.00347262 0.03725720 0.03420145 -0.02487158 -0.00304684 0.00361482 -0.00415208 +H 4.83153740 7.22405604 4.10378814 -0.02296179 0.00660261 0.01681327 -0.11425120 0.16782143 0.08111761 0.00263439 0.04126661 -0.00654494 +C 7.42954072 7.24713795 5.63953190 -0.00540125 -0.00014292 0.00313456 -0.04684301 0.03978271 -0.03018552 -0.00622133 0.00882269 -0.00630501 +H 6.71854830 6.39882973 7.19805059 -0.00692494 -0.00088578 -0.00246450 0.00641944 0.01167307 0.01280977 0.00659192 0.00734460 -0.00662855 +O 7.30488366 7.71086622 4.45704119 0.00255883 -0.00256923 0.00445429 0.02095126 -0.02829566 0.04656479 0.00268698 -0.00412820 0.00538476 +C 8.63641300 7.53112043 6.45655643 -0.00697721 0.00242902 -0.00439841 -0.03023800 0.01701139 -0.01503334 0.00069491 0.00269002 -0.00007965 +H 8.57437058 7.01441520 7.39058580 0.02367828 -0.00813445 -0.00539604 0.14304144 -0.06961762 -0.02919796 0.00620001 0.00318546 -0.01278714 +H 9.47320870 7.21328614 5.88908423 -0.01005827 -0.01734109 0.01102337 0.02757490 -0.07483345 0.02323472 -0.00582988 0.00910416 0.00139312 +H 8.71604165 8.53455214 6.74656685 -0.00415000 0.02334554 -0.00690136 -0.01756475 0.09871155 -0.12798465 -0.00072962 -0.02118393 -0.02824414 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98384432 5.77157187 5.92436492 -0.00038697 -0.00185696 -0.00272176 0.01267830 -0.01936471 -0.01510383 0.00382028 -0.00106361 -0.00224803 +C 2.31099105 6.16942608 5.90356011 -0.00223372 0.00076676 -0.00038859 -0.01698927 0.00329410 -0.02723760 -0.00278073 -0.00005915 -0.00720072 +H 0.90920792 4.82400865 6.15141737 0.03433405 -0.01499848 0.00620513 0.16553558 0.03587938 0.01337407 0.00803330 -0.02053680 0.00891123 +C 2.67335863 7.42082765 5.28860150 -0.00414376 0.00194345 -0.00199078 -0.04607646 -0.00118044 0.01142025 -0.00520021 -0.00222028 0.00464356 +H 3.06636519 4.24587373 6.56034915 0.00064658 0.00011664 0.02914499 0.02160478 0.06290482 0.16852832 0.00422689 0.02461092 0.00943269 +C 4.00744285 7.81317869 5.26372470 0.00273762 -0.00008924 0.00166268 -0.00165601 -0.00065099 0.00483119 -0.00495411 -0.00195637 0.00137115 +H 1.84002810 8.07385841 4.98660474 -0.01420669 0.00119889 -0.00003581 0.02207475 -0.00689966 -0.04446755 0.00312747 0.00711723 -0.01408791 +C 4.93342945 6.89247600 5.78472675 -0.00503253 -0.00616276 0.00518777 0.04137632 0.01446609 0.02519110 0.01311588 0.00973802 0.00131524 +H 4.31384387 8.74802504 4.80470839 -0.01610818 0.04115411 0.00071238 -0.12688976 0.04324328 0.14671932 -0.00878275 -0.01318722 0.02819284 +C 4.66489884 5.62385900 6.27687778 -0.00131015 0.00813323 0.00541421 -0.01951719 0.03153372 0.02955055 -0.00622859 0.00267416 0.00228101 +N 6.26067606 7.42318733 5.85133621 -0.00041384 -0.00196853 -0.00096749 -0.00941753 -0.02002758 0.00573529 -0.00008319 -0.00421109 0.00219248 +C 3.32879989 5.23471494 6.28048568 -0.00013065 0.00298853 -0.00450007 -0.02121203 0.02175482 -0.01818426 -0.00515615 0.00258663 0.00059400 +H 5.49972530 4.92069012 6.53420067 0.00106255 0.00570109 0.01062407 -0.11315545 0.08398386 0.13485527 -0.00379647 -0.00377301 0.03571762 +C 7.46990304 6.84418992 6.08040068 0.00559256 -0.00527686 -0.00713551 0.02010282 -0.00314453 -0.06223816 -0.00110712 0.00322416 -0.00970660 +H 6.26143274 8.43953302 5.90662972 -0.00972731 0.00776509 -0.00645712 -0.00495867 -0.04667062 -0.11273596 0.00811730 -0.00397493 -0.02328161 +O 7.68795738 5.65964227 6.09387384 0.00747803 0.00455825 0.00065262 0.05092683 0.00630708 0.00802357 0.00680386 -0.00282445 0.00145431 +C 8.67389264 7.78599874 6.10380290 -0.00071608 -0.01033429 0.00341699 -0.02168998 -0.03666291 0.00635517 -0.00146659 -0.00114767 0.00081823 +H 8.41142285 8.81522042 6.35306596 -0.01821744 0.01231641 0.02297435 -0.08553381 -0.11490877 0.05444809 -0.00950411 -0.02709209 0.00089505 +H 9.41661357 7.51376083 6.80071096 -0.01441019 0.01445014 -0.03162147 0.09686393 -0.07715065 0.03074631 0.00456564 -0.02356415 0.00729150 +H 9.15108200 7.68923123 5.11745733 -0.00777363 0.01247240 -0.00512097 -0.07181747 0.15473104 0.00239697 -0.00928876 0.02763669 -0.00082677 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99406385 5.78729556 5.70737947 0.00216446 0.00207827 -0.00343705 0.00597645 0.00374174 -0.02618498 0.00167979 0.00018182 -0.00322598 +C 2.26089905 6.10522737 5.91721848 0.00532647 -0.00359282 0.00385993 0.07114106 0.00064944 0.02377515 0.00836821 0.00212342 0.00181242 +H 0.93165141 4.92401356 5.37986980 0.01154328 -0.01153181 -0.02691249 0.02627848 0.06078837 -0.12440806 -0.00501783 0.01616858 -0.01463395 +C 2.69016287 7.44467679 6.29346547 0.00296376 0.00159398 -0.00289537 -0.02734737 -0.01358805 -0.00986048 -0.01058401 -0.00119441 0.00223294 +H 3.00757977 4.19789732 5.27689777 0.00632204 -0.01838544 0.01308709 0.07470779 -0.10508870 0.08986976 0.01038645 0.00870152 0.01472490 +C 4.01736334 7.83956704 6.44069858 -0.00528289 0.00390829 0.00765552 -0.03063407 -0.00047778 0.04644682 -0.00377462 -0.00118233 0.00522970 +H 1.91478611 8.07015358 6.50326779 -0.00420051 0.00779621 0.01667354 -0.00850599 0.10471455 0.06487381 0.02480064 -0.01046568 -0.01280761 +C 5.00122953 6.85834670 6.12566205 -0.00162267 0.00218424 0.00023686 -0.02187796 0.06468470 0.01142866 -0.00271942 0.01123740 0.00193915 +H 4.19777055 8.81343032 6.82152780 -0.01157569 0.00994323 -0.00715974 -0.00587880 0.07709942 -0.08504430 0.00323076 -0.00876827 -0.01638371 +C 4.60166169 5.58952791 5.79284084 0.00299134 0.00055011 0.00042163 0.02464904 -0.02624433 -0.02850992 0.00305984 -0.00413355 -0.00752937 +N 6.27040562 7.38955914 6.10858591 -0.00100324 0.00410835 0.00294209 0.02778552 0.01607612 0.02504730 0.00685016 0.00260349 0.00455945 +C 3.27886468 5.15225802 5.64543084 -0.00148821 -0.00584004 -0.00051044 -0.00798849 -0.02050969 0.00901662 0.00275462 -0.00236673 0.00280604 +H 5.34362783 4.89043558 5.41523904 -0.00660188 0.02201373 -0.02146019 0.06519463 0.04297150 -0.07382472 0.02186369 -0.01335051 0.00197332 +C 7.49733676 6.89536007 5.74247473 0.00122686 0.00992676 -0.00400881 -0.01406561 0.03733593 -0.03034764 -0.00378069 -0.00364982 -0.00554298 +H 6.37079168 8.23063703 6.66016045 0.01145465 -0.01046552 -0.00851357 0.03477766 0.07705526 -0.03990844 -0.00190168 0.01950252 -0.00775007 +O 7.66130219 5.82786141 5.16352086 -0.00457082 -0.00931600 0.00018168 -0.03494421 -0.04657831 0.00781794 -0.00552851 -0.00195430 0.00271390 +C 8.72717999 7.72840876 6.12555486 0.00224462 -0.00179581 -0.00153013 0.00332722 -0.02445994 -0.01650026 -0.00151909 -0.00437235 -0.00343795 +H 8.64518987 8.31938224 7.07101600 0.00067500 -0.02913430 -0.02213143 -0.08742585 -0.09441324 -0.00121800 -0.02474037 0.00906410 0.02378703 +H 9.51243661 6.97588241 6.29019906 -0.00386551 0.00791420 0.02463505 0.07141375 0.08928994 0.07105894 0.02294871 0.01109096 -0.00892796 +H 8.95401774 8.43417507 5.32270923 -0.02739244 -0.00299375 0.00408993 -0.06357223 -0.00312162 -0.02285944 0.01197814 0.00217381 -0.00554100 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99985556 5.87956485 5.78486145 0.00378988 -0.00036951 0.00183476 0.00775186 -0.00570324 0.01148791 -0.00163483 -0.00248912 0.00031622 +C 2.29227684 6.14493897 5.82774291 -0.00441702 0.00700090 0.00266881 0.01969782 0.02849631 0.01968750 0.00782705 -0.00216638 0.00080232 +H 0.90061293 5.11928413 5.23037248 0.00073230 0.02556132 0.00709927 -0.08730887 0.02405787 -0.05564340 -0.01618636 0.00722651 -0.00236769 +C 2.69088073 7.22619987 6.63894293 -0.00767362 -0.00616130 -0.00051826 -0.05559311 -0.01460197 0.00304535 -0.00444472 0.00502083 0.00279874 +H 2.99635201 4.41053283 4.78945440 -0.02516176 -0.01064284 -0.00036925 -0.02078780 0.02130032 -0.03618875 0.01873369 0.01445079 -0.01077181 +C 4.02748990 7.64105098 6.75155538 -0.00347658 0.00543431 -0.00344787 -0.04557948 0.01861895 -0.03312594 -0.00859221 0.00052080 -0.00486038 +H 1.81782032 7.70035379 7.07959551 0.00407975 0.01198075 0.00911689 0.11692479 0.14338424 0.08166416 0.01420330 0.01905574 0.01004515 +C 5.01295918 6.89307723 6.13113288 0.00205324 -0.00067133 0.00503533 0.01106218 -0.03287325 0.00973742 -0.00072853 -0.00678913 -0.00132199 +H 4.25615265 8.56065803 7.23546923 -0.02610686 -0.01830870 -0.01477373 -0.09937175 0.06705200 0.05185616 -0.00502094 0.00709212 0.00881731 +C 4.62665856 5.71392821 5.43784839 0.00376254 -0.00610624 0.00084264 0.04207391 -0.03563747 0.00370788 0.00851060 -0.00571506 -0.00100694 +N 6.32563813 7.33173374 6.12430021 0.00163144 -0.00029976 -0.00147808 -0.02339276 0.01891815 0.02524151 -0.00534781 0.00389979 0.00731005 +C 3.29312463 5.32286938 5.27031165 0.00704672 -0.00157571 -0.00550219 0.00776994 -0.00043110 -0.02275846 -0.00403421 0.00278382 -0.00004236 +H 5.37570001 5.14482014 4.98431097 0.00854565 0.00160006 0.00302655 0.06949829 -0.08596240 -0.01572010 -0.00923857 -0.00967857 0.00511195 +C 7.47104864 6.80373907 5.85030064 -0.00202419 0.00664964 -0.00045422 0.02505909 0.04380365 -0.04411452 0.00610095 0.00370029 -0.01141199 +H 6.35961439 8.23849724 6.58561916 -0.00264672 -0.00215286 0.02009395 0.05819971 -0.03635643 0.05090295 0.01285261 0.01027629 0.00449952 +O 7.71278265 5.71108035 5.31577785 -0.00426525 -0.00432927 -0.00161479 -0.03394405 -0.01395366 0.00319384 -0.00497115 0.00136114 0.00258449 +C 8.56125277 7.90830949 5.93659401 0.00124439 0.00222660 -0.00051881 0.03470909 -0.02084647 -0.00720522 0.00783332 -0.00495487 -0.00119848 +H 9.16458754 7.65423625 6.84594698 0.01779082 0.00480529 -0.02177348 0.11052216 0.05038563 -0.10638282 0.01899525 -0.00270616 0.01197979 +H 9.20146697 7.76953436 5.04438958 0.02850687 0.00169731 0.01194443 0.12548839 0.03729156 0.11122938 0.01136801 0.00871930 -0.00030104 +H 8.28967289 8.96754887 5.91949058 0.02065464 -0.01678488 0.02525792 0.00052916 -0.01152092 0.18082286 -0.01516009 -0.00016786 0.01889081 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02309036 5.77812585 5.77676662 -0.00916923 -0.00573425 -0.00406823 -0.06298996 -0.04662904 -0.03486388 -0.00630976 -0.00542900 -0.00453047 +C 2.30325768 6.13986243 5.91299800 0.00114889 0.00381252 -0.00319566 -0.00309381 0.02375479 -0.01770259 -0.00419976 0.00185843 -0.00195935 +H 0.86702530 5.07793674 5.17553793 0.00753717 -0.02945388 -0.01886316 0.06826181 -0.05592209 -0.00294471 0.00590830 -0.00813519 0.00063745 +C 2.64816855 7.18657648 6.80394331 0.00232371 0.00095841 -0.00020672 0.02859476 0.00938554 0.00262193 0.00264285 0.00175601 0.00127124 +H 3.10823422 4.67526526 4.43066882 0.00104481 0.00956895 -0.01524215 -0.05786353 0.07354889 0.01918691 -0.01724875 -0.00742497 0.00452656 +C 4.01526525 7.56570512 6.83403749 0.00049500 0.00274980 -0.00278149 -0.01368454 0.03846455 0.01456618 -0.00177261 0.00653609 0.00574479 +H 2.03535023 7.70052938 7.48349645 -0.00084912 0.00937692 0.02780642 -0.05389799 -0.04255108 -0.00848891 -0.00323075 -0.02395832 -0.03464862 +C 4.98949505 6.90524359 6.14587520 -0.01034370 0.00271811 0.00125019 0.00994810 0.00020860 -0.00230846 0.00951318 -0.00093475 -0.00008372 +H 4.34685720 8.35300590 7.49020079 0.01693791 -0.00608866 0.01916492 -0.00185970 -0.04439291 0.07387473 -0.01619903 0.00194505 0.00528944 +C 4.67645211 5.76618901 5.35173058 -0.00316101 0.00199678 0.00593515 -0.05164777 0.02422899 0.03397111 -0.00769233 0.00487409 0.00337440 +N 6.34940227 7.35472736 6.31180842 0.00321865 -0.00347437 0.00502099 -0.01711991 -0.03104010 0.02160973 -0.00666508 -0.00616678 0.00105120 +C 3.30710645 5.45950927 5.18315992 -0.00093627 -0.00041049 0.00306102 -0.00364847 -0.00447552 0.01191054 -0.00154477 0.00087631 0.00148252 +H 5.29363685 5.11981620 4.71817329 0.00179103 0.02030397 0.01284851 0.13546058 0.17071049 0.12732620 0.01982036 0.01752612 0.01687934 +C 7.45552862 6.88180641 5.69894101 -0.00209836 -0.00285861 0.00235416 0.00204113 -0.01495583 0.03397605 0.00376831 -0.00115535 0.00626833 +H 6.46258021 8.22593275 6.82279850 -0.00074976 -0.00867819 0.03067265 0.01652460 -0.15641391 0.15655245 0.00498867 -0.02314681 0.01823738 +O 7.54932079 5.82055244 5.06311507 0.00625684 -0.00121360 -0.00101062 0.04186523 0.00331178 -0.00376758 0.00546461 0.00234009 0.00025392 +C 8.68114111 7.74405189 6.00139568 0.00624503 0.00112101 -0.00997568 0.03558925 0.02459385 -0.07447789 0.00645748 0.00298992 -0.00956511 +H 9.01479289 8.14925144 5.03580379 0.00460064 0.01265208 0.00474361 0.10192865 0.01357903 -0.04890725 0.01767526 -0.00495725 -0.02241657 +H 8.48564820 8.69487756 6.53574755 0.04100398 0.00816334 0.00654667 0.17233513 -0.08576251 0.05223327 -0.00018680 -0.01558093 0.01225717 +H 9.42964532 7.18506974 6.50507811 0.00556973 0.02251120 -0.01442872 0.14345667 0.04013984 -0.08642672 0.00903991 -0.00174007 -0.02533833 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94392029 5.72530585 5.64417181 -0.00007587 0.00354607 0.00482326 0.01097166 0.03782937 0.03570555 0.00208806 0.00649266 0.00508193 +C 2.28938082 6.10855178 5.80340016 -0.00639932 -0.00138103 -0.00437650 -0.01509028 -0.00851054 -0.02555114 0.00485267 0.00007746 -0.00268882 +H 0.74746833 4.78186416 5.52691505 -0.00508586 0.02237967 -0.00151039 0.00789994 0.04699887 -0.03146023 0.00708310 -0.00575254 -0.00653242 +C 2.65145854 7.44091292 6.11271607 0.00759340 0.00144508 -0.00131451 0.01425068 -0.00281216 -0.01992813 -0.00537520 -0.00204939 -0.00419710 +H 3.21896209 4.11611533 5.51196948 0.01171144 -0.00895382 -0.00441700 0.00858203 0.04072633 -0.02656823 -0.01029087 -0.00042208 -0.00602610 +C 3.98157657 7.88570772 6.32992360 -0.00126217 -0.00820729 -0.00355708 -0.00091687 -0.06425890 -0.01698918 0.00151467 -0.00812124 -0.00050640 +H 1.81305605 8.08750236 6.11361888 0.00921774 0.00181630 0.00546182 0.08592087 0.12410537 0.09173823 0.02393590 0.01582417 0.01646313 +C 5.02692620 6.93068604 6.25187460 0.00064297 -0.00277302 0.00327755 0.01288614 -0.01023767 0.00311980 0.00308077 -0.00091454 -0.00239621 +H 4.19632136 8.92181112 6.53251455 -0.00649777 -0.01332832 0.01697593 -0.05364990 -0.07714669 0.09371691 -0.00628149 -0.01161437 0.00569413 +C 4.71783384 5.60640316 5.86820325 0.00233613 -0.00413162 -0.00106100 -0.00560020 -0.02640456 0.01928151 -0.00227298 -0.00232254 0.00693038 +N 6.34092548 7.40668958 6.38021016 0.00255678 0.00554085 -0.00061287 0.01212207 0.03182369 -0.00163909 0.00040873 0.00181083 -0.00084940 +C 3.35666784 5.18815778 5.70091980 0.00348009 0.00094255 -0.00412998 0.02474237 -0.00316197 -0.03203414 0.00128294 -0.00031809 -0.00476177 +H 5.48527470 4.83319523 5.89627561 -0.00374904 0.00538475 0.03601940 -0.01732954 -0.02224012 0.13148891 0.00090111 -0.01285396 -0.00210707 +C 7.47521571 6.91136409 5.79734731 -0.00836879 0.00733948 -0.00370234 -0.04836683 -0.00403963 -0.03060612 -0.00297600 -0.00612325 -0.00407486 +H 6.38424147 8.21404381 7.02046027 0.01934198 -0.00653838 0.00810115 0.18869895 -0.00122600 -0.03249972 0.02512054 0.01856978 -0.00632330 +O 7.44423095 5.74872925 5.23641906 -0.00058577 -0.00482114 0.00129125 0.00873873 0.01477834 0.02078139 0.00238490 0.00770714 0.00398303 +C 8.81123587 7.71504081 5.91135345 -0.00238842 0.00053618 -0.00056459 -0.02916650 0.00451246 0.00345026 -0.00732831 0.00049839 -0.00399064 +H 9.03666544 8.20936599 6.93938936 -0.00137003 0.00378076 -0.00638304 -0.12096357 -0.09116418 -0.06838988 -0.02346659 -0.00755332 0.03584453 +H 9.67494373 7.11373647 5.67205919 0.00851791 -0.01696825 0.02559496 -0.03532770 -0.05453769 0.11560338 -0.02039730 0.00724042 0.00500583 +H 8.75228913 8.51618703 5.25492259 -0.00508854 0.02990137 0.01546401 0.01802804 0.12654266 0.03529968 0.01276904 -0.02432726 0.01280716 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.90036065 5.73470816 5.89243535 0.00127245 0.00097036 -0.00227594 0.01942159 0.01526263 -0.00700906 0.00389056 0.00209867 -0.00201478 +C 2.23362391 6.14543569 5.81580049 0.00164106 -0.00212813 -0.00903669 -0.02035257 -0.00719472 -0.05285341 -0.00617877 0.00238386 -0.00455174 +H 0.51609205 6.03847681 6.69968161 -0.00776813 -0.01019731 0.02592887 0.00237455 -0.11699798 -0.01423143 -0.00267026 -0.01264270 0.00184072 +C 2.64466367 7.38837210 6.30835398 -0.00404409 -0.00191606 0.00219008 -0.02027320 -0.02162453 0.01742880 -0.00600744 -0.00262617 0.00386779 +H 2.93313477 4.20210942 5.06318195 -0.00613657 0.00590991 0.00830537 -0.05073509 0.09090646 0.00603151 -0.01186781 -0.00822205 -0.01378225 +C 4.01040049 7.75118596 6.45259797 -0.00767102 0.00359188 -0.00189495 -0.04108141 0.00733409 -0.02204505 -0.00158607 -0.00172364 -0.00387543 +H 1.92329482 8.04885022 6.67228445 0.00911418 -0.03985274 0.00603861 -0.12798627 -0.06083243 0.13814817 -0.00650795 -0.00441152 0.01276677 +C 5.01704068 6.87913728 5.98835884 0.00470092 0.00002384 -0.00672799 0.01727031 0.02650204 -0.02102004 -0.00057730 0.00748585 0.00138345 +H 4.24818990 8.68762296 6.93877511 0.00421286 -0.01394607 0.02068118 0.00124351 -0.06276130 0.08286304 -0.00837298 -0.00335383 -0.00054010 +C 4.56380775 5.62256226 5.47324434 0.00576817 0.00611417 0.00926532 0.04567309 0.01140848 0.04423387 0.00259174 -0.00259904 0.00261012 +N 6.34747957 7.36020579 6.19245440 0.00323971 -0.00943384 0.00241383 0.02585655 -0.04905378 0.02225561 0.00240100 -0.00444966 0.00350626 +C 3.19912226 5.25100683 5.35779137 -0.00937052 0.00286547 0.00260522 -0.01137383 0.01413393 0.02384648 0.00918770 0.00303066 0.00427230 +H 5.33986408 4.89721495 5.23150613 0.01135971 -0.01323356 -0.01193647 -0.04631228 0.02144659 -0.05088068 -0.00447339 0.00567542 -0.00301619 +C 7.58784825 6.86379313 5.88677394 -0.00308361 0.00173014 0.00392575 -0.02558729 0.00058660 0.01276488 -0.00089512 -0.00276857 -0.00089322 +H 6.42024118 8.25338465 6.65299818 0.02972856 0.01444403 0.00866863 0.08914661 -0.07293701 -0.04803687 -0.00511347 -0.00967372 -0.00817611 +O 7.72599298 5.72461144 5.41079753 -0.00317624 0.00102229 0.00105763 -0.01774288 0.01794235 0.01245216 -0.00197107 0.00366408 0.00231068 +C 8.78898009 7.84032543 6.06115374 0.00830099 0.00169985 -0.00397266 0.02170846 -0.01704768 -0.03451723 -0.00209143 -0.00488059 -0.00654863 +H 9.56726633 7.32068457 5.49203779 -0.00736269 0.01823309 -0.00291273 0.12091596 0.13506811 -0.05138270 0.02887546 0.01814287 -0.01007679 +H 8.62276481 8.82199094 5.63605853 -0.00792388 -0.01233422 0.00814416 -0.07896235 0.00708462 -0.00567834 -0.01045051 0.00145329 -0.00434526 +H 9.05112810 7.93569323 7.13872910 0.00475441 0.00767699 -0.03367925 0.10969813 0.04564646 -0.06925864 0.02296216 0.00362599 0.01641960 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.05677548 5.93392896 5.92033306 -0.00302317 -0.00553576 0.00431294 -0.04244311 -0.03722214 0.02368164 -0.00639209 -0.00379871 0.00122376 +C 2.34403163 6.02239489 5.94596612 0.00716886 0.00438547 0.00046527 0.04742366 0.02701809 -0.02164563 0.00023879 0.00047117 -0.00309029 +H 0.67256667 6.38995244 5.22932797 0.00771381 0.00825388 -0.00344324 0.02456082 0.01791037 0.01120774 -0.00005322 -0.01193904 0.01848355 +C 3.02747405 5.47075737 7.00935646 0.00283786 -0.00002334 -0.00412566 -0.00304091 -0.01158455 -0.00951514 -0.00227755 -0.00175767 0.00047762 +H 2.50470856 6.93394991 3.95675274 -0.01037376 0.02174334 0.01100799 -0.02256733 0.10801606 0.07583531 0.01275705 -0.00129391 0.02131473 +C 4.37632314 5.68038811 7.22928438 -0.00427155 0.00680875 -0.00520335 -0.01948992 0.02973085 -0.04031849 -0.00013416 0.00084904 -0.00445554 +H 2.41821502 4.83772239 7.65337602 -0.00377933 -0.00105678 0.00805491 0.06533927 0.09300965 0.08924085 0.00990869 0.01665669 0.02148954 +C 5.11765376 6.33505193 6.21135871 -0.00543502 0.00045279 -0.00271174 -0.02642073 0.02713720 -0.02543229 -0.00046782 0.00673108 -0.00377820 +H 4.72957093 5.20948278 8.10592998 -0.01381857 -0.01067445 -0.00174856 0.05545079 0.05604220 -0.02695698 0.02077168 0.03224267 -0.01682357 +C 4.43089999 6.73697706 5.00383163 -0.00660190 -0.00649661 -0.00181316 -0.03250788 -0.04035138 -0.01378166 -0.00090738 -0.00360654 -0.00354599 +N 6.46426539 6.67518073 6.43414515 0.00378475 -0.00046875 0.00641293 0.00213759 -0.01204329 0.01999185 -0.00236886 -0.00249055 -0.00075178 +C 3.01350382 6.59317082 4.82056068 -0.00073573 -0.00273485 0.00119598 0.01420258 -0.01271488 0.03329397 0.00320506 0.00101320 0.00468507 +H 5.03491590 7.18302277 4.25268865 -0.00406303 0.00045287 -0.00651535 -0.13712689 -0.00006611 -0.08334715 -0.02897870 -0.00363899 -0.00748212 +C 7.32702262 7.35564376 5.65559878 0.00043043 0.00508364 0.00007629 0.04379118 0.03718111 0.02028768 0.00881982 0.00345549 0.00652555 +H 6.82406535 6.28608945 7.28357564 -0.02444239 -0.00952957 -0.00448134 -0.02546179 -0.07331425 0.04504930 0.01058277 -0.00045441 -0.00302093 +O 7.07839751 8.07306102 4.67498926 0.00923547 0.00167754 0.00211665 0.05472561 0.00476960 0.01458330 0.00610623 0.00007232 0.00161829 +C 8.82974118 7.38236103 6.13812767 0.00161546 -0.00222718 -0.00228203 -0.02164503 -0.00556112 -0.01143142 -0.00557448 0.00099999 -0.00061814 +H 9.53342119 7.65442205 5.37862962 0.00487379 -0.01930034 -0.00911922 -0.00148782 -0.07928211 -0.06773419 -0.01606421 -0.00460893 0.00345261 +H 8.83582117 8.10700278 6.90971369 -0.03044666 0.00966842 0.00437405 -0.07525153 0.06293110 -0.02567766 0.01498838 -0.00703655 -0.02094126 +H 9.20616012 6.48711362 6.64158962 -0.01738008 0.00565269 -0.01772653 -0.13567083 -0.10878312 -0.08602827 -0.02104093 -0.02335510 -0.00585673 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98042509 5.74262533 5.73168631 0.00251104 0.00298411 -0.00169505 0.00072195 0.01472191 -0.01199231 -0.00189662 -0.00000614 -0.00184354 +C 2.26352645 6.08800588 5.89722388 -0.00204031 -0.00172196 -0.00318116 0.01194076 0.00873630 -0.01381000 0.00466132 0.00413049 -0.00092297 +H 0.84273827 4.86281969 5.53716877 0.00800846 -0.00834677 0.00421850 0.05151523 -0.01275895 0.02785830 0.00641483 0.01848187 0.00611475 +C 2.62176628 7.41277336 6.27445091 -0.00218796 -0.00253066 0.00181614 -0.04097177 0.00596058 -0.00018334 -0.00480820 0.00069890 -0.00228079 +H 2.86928572 4.16337845 5.34094858 0.00166763 -0.01598021 0.04330915 0.22231990 -0.05600763 0.30059278 0.04880580 -0.00234809 0.02989374 +C 3.94813658 7.89497596 6.31824402 -0.00437151 -0.00529087 0.00230051 -0.00675468 -0.05135945 0.01253450 -0.00067381 -0.00959291 0.00100009 +H 1.81434885 8.17942331 6.37566591 -0.02170114 0.01352500 0.00109878 0.00537371 -0.09125641 0.03707550 -0.01171478 -0.00405357 0.01313320 +C 4.99411692 6.94567026 6.09295727 0.00118992 -0.00257520 -0.00250493 -0.00802563 0.00179951 -0.01098319 -0.00175779 0.00270935 -0.00039704 +H 4.26416672 8.93191080 6.50608467 0.00930482 0.01181253 -0.00247926 -0.11999430 -0.07427276 -0.01417184 -0.02966001 -0.00901417 0.00406860 +C 4.64608288 5.59696264 5.83584770 0.00204458 0.00021901 0.00272381 -0.01285004 -0.01707239 0.00827181 -0.00147554 -0.00479971 -0.00103011 +N 6.30248889 7.41491515 6.16995833 -0.00432937 0.01167351 0.00263367 0.00030047 0.07534378 0.00854146 0.00314170 0.00483457 -0.00223018 +C 3.25488481 5.13699209 5.66785084 0.00422218 0.00167993 0.00079578 0.05177756 0.02710358 0.01771005 0.00843482 0.00505295 0.00534339 +H 5.45103260 4.90524314 5.77680001 -0.02062754 0.00111606 -0.01117439 -0.04462851 -0.10521790 -0.11850380 -0.00722788 -0.00996880 -0.01241057 +C 7.51344895 6.90237198 5.80253131 -0.00410572 -0.00083325 -0.01024616 -0.03398473 -0.00141298 -0.06979496 -0.00371991 0.00392204 -0.00707064 +H 6.41974855 8.42558883 6.44515508 0.00416076 0.01061162 0.00685716 -0.03407252 -0.01254870 0.10573762 -0.00642029 0.02303144 0.03300794 +O 7.64591305 5.88841680 5.09364391 -0.00011892 -0.00277774 -0.00066983 -0.01172957 -0.01865088 -0.00014629 -0.00363532 -0.00318375 -0.00007406 +C 8.80921390 7.59815773 6.19116556 0.00401840 -0.00286299 0.00294234 0.02973154 -0.01588360 0.00798231 0.00445969 -0.00327657 0.00192008 +H 9.14795292 7.30498378 7.13348555 -0.00599661 -0.02719180 0.00738309 -0.06698674 -0.11545612 0.08673071 -0.02133358 0.00532314 -0.01528827 +H 9.57284881 7.26107708 5.50036632 0.02386260 0.00066800 0.00908653 0.10316817 -0.01534342 0.09093148 0.00169357 -0.00621355 0.01555051 +H 8.78975476 8.66364405 6.03181186 0.03817426 0.01411546 0.00643110 0.16271298 0.00024744 0.13292456 0.00257331 -0.01802054 0.02832238 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96289868 5.72094135 5.83166753 0.00027877 0.00309846 -0.00213758 0.00529663 0.01484986 -0.02086839 0.00181942 0.00188489 -0.00327560 +C 2.27740561 6.09184631 5.90010185 -0.00011741 -0.00558264 -0.00171075 0.02990480 -0.02285064 -0.00064858 0.00501990 -0.00006668 0.00195164 +H 0.85760946 4.96736246 5.30363816 -0.00797274 -0.01083034 -0.01709667 -0.05944410 0.04107415 -0.01547817 -0.00966058 0.01008687 0.00347355 +C 2.71307107 7.35294869 6.43812453 -0.00040766 -0.00322761 -0.00162585 -0.04594686 -0.01318667 -0.00160787 -0.00526676 -0.00182522 -0.00038159 +H 3.10582080 4.34644658 5.03918924 -0.00606382 0.00107162 0.00627583 -0.06131800 -0.16404609 -0.02031209 0.00602155 0.02238399 0.01725594 +C 4.02900484 7.81616903 6.53194454 0.00646821 -0.00120849 0.00489713 0.00015649 0.00837975 0.03024249 -0.00795238 -0.00305576 0.00134761 +H 1.85407266 7.96981062 6.83454492 -0.01636080 0.02004729 -0.00547068 0.09958895 0.04768388 -0.12715713 -0.00302324 0.01975891 -0.01116586 +C 4.99354195 6.98288948 6.05800140 -0.00046342 0.00007693 0.00007310 0.03816540 -0.02766820 -0.00899878 0.01023823 -0.00303887 -0.00013310 +H 4.24053190 8.86575299 6.86309387 -0.01299446 0.03238958 0.00697323 -0.06929142 -0.09232254 0.05844413 0.00515220 -0.01093408 0.02268952 +C 4.63160601 5.71037913 5.40794187 -0.00003908 0.00033062 0.00186769 0.01891798 0.01772831 0.03719169 0.00091583 0.00314848 0.00862880 +N 6.31979058 7.39702247 6.27623953 0.00652854 0.00799960 0.00093312 0.03783241 0.03755654 -0.02095920 0.00211609 0.00347141 -0.00548409 +C 3.31785012 5.23052713 5.43963032 -0.00239076 -0.00596383 0.00178157 -0.02005392 -0.01537399 0.00666364 -0.00144639 -0.00415728 -0.00240684 +H 5.44889975 5.08253673 4.97114362 0.01072954 -0.00186019 0.01232120 -0.07776013 -0.01856150 0.10645694 -0.00085831 -0.02107553 0.00381946 +C 7.48978836 6.84600371 5.80825581 -0.00524240 -0.00002102 -0.00351206 -0.04751207 0.01816827 -0.01231367 -0.00446813 0.00447925 -0.00071571 +H 6.43624139 8.31106213 6.65081434 0.02400190 -0.00631279 0.01720016 0.11255282 -0.02682915 0.14857239 0.00089383 -0.01715632 0.01220568 +O 7.59621659 5.73882967 5.28046729 -0.00234204 0.00412985 -0.00013231 -0.01425547 0.02829057 -0.00387648 -0.00231160 0.00360207 -0.00117744 +C 8.68934578 7.73459505 6.04147139 -0.00268624 -0.00645191 -0.00092869 -0.01235815 -0.04111910 0.00431934 0.00220149 -0.00718573 0.00084808 +H 9.52538446 7.14874622 5.81900841 0.00375881 0.01803250 -0.00643176 0.13463370 0.02413680 0.02029524 -0.00359524 0.00093676 0.02213747 +H 8.77187677 8.68010814 5.45666570 0.02475089 -0.02721797 -0.00088212 0.04194479 -0.14793735 -0.09690821 -0.01508834 -0.00342639 -0.02899740 +H 8.67601419 8.03641829 7.09770456 -0.01968730 0.01150754 0.00013715 -0.04297726 0.03486155 -0.04347159 0.00759933 0.00353359 -0.00342985 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.93552103 5.72179560 5.89138682 -0.00141448 0.00002773 0.00491762 -0.00029979 -0.00564793 0.02974670 0.00166072 -0.00072065 0.00376195 +C 2.26024702 6.09359340 5.86586957 0.00085936 0.00361211 0.00002131 0.00625447 0.03896217 0.00154741 -0.00014993 0.00520304 -0.00018175 +H 0.79494443 4.86474779 5.58537064 -0.01358001 -0.01839739 0.00838900 -0.05530464 -0.00973411 0.09229317 -0.00028872 0.00972553 0.01576168 +C 2.62750499 7.40324266 6.30447837 -0.00046282 0.00198129 0.00010445 0.00791367 -0.00443565 0.00527588 0.00271012 -0.00143842 0.00165792 +H 3.11420512 4.18000495 5.25664901 -0.00842862 -0.02560556 0.00654904 -0.03963930 0.10559035 -0.05252876 -0.00867113 0.02350658 -0.02566203 +C 3.98442537 7.80567065 6.52766646 0.00458931 -0.00272442 -0.00239409 -0.00581390 -0.00565464 -0.03204270 -0.00367876 0.00049054 -0.00672105 +H 1.75009270 8.04074025 6.55301658 0.02485488 -0.02163807 -0.01381275 0.06582150 0.05920599 0.02064192 -0.00965798 0.03491783 0.01937217 +C 4.98207716 6.98266406 6.03153518 0.00382443 -0.00034975 0.00095060 0.02881999 -0.03993491 0.00412796 0.00086051 -0.01188474 -0.00059113 +H 4.15535484 8.78675826 6.91531735 0.00657166 0.01238939 -0.00332115 0.06493639 -0.02115208 -0.02607085 0.00715752 -0.01796858 -0.00493067 +C 4.63588655 5.70736382 5.49132380 -0.00623266 -0.00824138 -0.00431308 -0.01980488 -0.03691154 -0.02890225 0.00415332 -0.00355415 -0.00366372 +N 6.31070308 7.43349487 6.20948591 -0.00455180 -0.01062517 -0.00064632 -0.01011596 -0.07160500 -0.01869982 0.00460182 -0.00621152 -0.00355694 +C 3.29432245 5.23875267 5.44934208 -0.00070566 0.00843939 -0.00560315 -0.01287557 0.02824978 -0.02618300 -0.00354604 0.00213821 -0.00157567 +H 5.37354006 5.12527805 5.07379739 0.00522970 -0.02540920 0.00644895 -0.00325948 -0.19910349 0.10120046 -0.03002418 -0.00472214 0.02844886 +C 7.48792679 6.84894332 5.81132943 0.00436388 0.01136258 -0.00083325 0.04108510 0.04655119 0.00190376 0.00442049 -0.00121797 0.00079314 +H 6.36010082 8.30469982 6.64045777 0.01453988 0.00561188 -0.01611246 0.08181476 -0.01143224 -0.11275374 -0.00250194 -0.02777119 -0.02061378 +O 7.72405895 5.71455972 5.33944310 -0.00094575 0.00173252 0.00157648 -0.02320810 0.03303069 0.01679746 -0.00481303 0.00787853 0.00310130 +C 8.75375778 7.70890433 6.04175097 -0.00111824 0.00305060 0.00705351 -0.00217690 0.00893376 0.03724396 -0.00155271 0.00397147 0.00284738 +H 8.52184976 8.65633055 5.61534449 -0.00471451 -0.02883928 -0.02165021 0.03503009 0.00105277 -0.12218161 0.01502388 0.00702333 0.00644861 +H 9.09044714 7.78937764 7.08842532 0.00074577 -0.00300020 -0.00497381 -0.10226683 0.05312970 0.05702153 -0.02484669 0.01910459 0.02135771 +H 9.66995405 7.24104453 5.57140991 0.01451405 0.02047491 0.00413151 -0.05061208 0.15672821 0.00470144 0.00156377 0.00386221 -0.01109822 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.90475309 5.80906086 5.92168077 -0.00436190 -0.00184264 0.00256047 -0.01744287 -0.00823142 0.01933943 -0.00009523 0.00077320 0.00373499 +C 2.24292282 6.15033583 5.95398229 0.00341353 0.00012831 0.00378542 -0.01254442 -0.03088392 0.00238281 -0.00559644 -0.00847392 -0.00337443 +H 0.66763264 5.02305717 5.38307409 -0.00047756 -0.00861671 0.01300580 0.03267296 -0.03426558 0.09143587 0.00148950 -0.02408861 -0.00158054 +C 2.66796247 7.06540044 6.89264307 0.00687437 -0.00024768 -0.00752083 0.02224932 0.00950570 -0.04062222 -0.00008485 0.00093158 -0.00591221 +H 2.81355064 4.77384330 4.34852062 0.01978920 0.02137671 -0.01096270 0.01645564 0.06295232 -0.11388198 -0.00923622 0.00176752 -0.00749649 +C 4.02282727 7.45004256 6.92944257 -0.00674347 0.00177127 0.00060074 -0.01764959 -0.00160250 0.00518310 0.00189486 -0.00279992 -0.00033253 +H 1.86488696 7.47641199 7.56101022 -0.01771166 -0.01161103 -0.01390281 0.07357904 -0.03270569 -0.10264503 0.00725740 0.01969277 0.01223514 +C 5.00193302 6.76629980 6.06930776 -0.01085903 0.00412871 0.00078194 -0.03666939 0.06413172 0.03825310 0.00035827 0.01040044 0.00644965 +H 4.25147447 8.19440938 7.72823010 0.00738749 -0.00231578 0.02375382 0.07432372 -0.10870314 -0.04262086 0.01567910 -0.00097878 -0.00596140 +C 4.55061599 5.77187625 5.16005625 0.00160655 0.00393561 -0.00019009 -0.02360863 0.04396606 0.00759671 -0.00493356 0.00805615 0.00198586 +N 6.38767360 7.22943196 6.30403301 -0.00345274 -0.00130088 -0.00244908 -0.04221824 -0.01930697 -0.02424265 -0.00532344 -0.00341241 -0.00417397 +C 3.12494453 5.51376996 5.07157397 -0.00509891 -0.00346344 -0.00191262 0.02209135 -0.01265312 -0.00688039 0.00868214 -0.00032745 -0.00089528 +H 5.24528786 5.31252477 4.50153857 -0.00321911 0.00813618 0.01561397 0.04028643 -0.02046604 0.03134429 -0.00550153 0.00257889 0.00817679 +C 7.57406467 6.94555846 5.72107193 0.01149501 0.00311708 0.00057345 0.04551476 0.00486404 -0.00156377 -0.00232839 -0.00233119 -0.00085968 +H 6.47605696 7.91336899 7.04656271 -0.00060164 -0.01062143 0.00822807 -0.02683484 -0.07965866 0.01040019 -0.00648680 -0.00658782 -0.00090346 +O 7.73858958 6.11639452 4.84239386 0.00217993 -0.00268091 -0.00028603 0.01286324 -0.01994526 -0.00259583 0.00194028 -0.00253731 -0.00014246 +C 8.79501049 7.74664567 6.14334910 0.00664529 -0.00068111 0.00310665 0.02984017 0.00691721 0.02694178 0.00518099 0.00015816 0.00493175 +H 9.74691313 7.32405982 5.97085094 -0.00993407 0.01349852 -0.02766454 0.02328026 0.01644953 -0.30931599 -0.01730383 0.00701464 -0.03450463 +H 8.64736231 8.73100466 5.66967945 -0.01350095 -0.00158204 -0.00897173 0.01975884 -0.02188576 0.03527479 0.01272352 0.00910497 0.01816411 +H 8.81874296 7.83546858 7.18805697 0.01349717 -0.02192194 0.00807059 0.05760187 -0.07004720 0.09826929 0.00825873 0.00002203 -0.01089898 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95126012 5.64341310 5.78445243 -0.00367861 0.00214007 0.00595223 0.00770315 0.02739722 0.03279530 0.00578623 0.00548409 0.00584124 +C 2.28925415 6.08745934 5.95564171 0.00563378 -0.00248947 -0.00572301 -0.00000168 -0.03668110 -0.04935654 -0.00655164 -0.00762524 -0.00229642 +H 0.75552251 5.54738957 4.83764213 -0.00920690 0.01482774 -0.01321279 -0.08399007 0.10373500 0.10049359 -0.02565798 0.01190679 -0.00619077 +C 2.87802261 6.23608888 7.21056431 -0.00078406 -0.00288408 -0.00680329 -0.00952736 -0.03305998 0.00204955 0.00078819 -0.00514216 0.00138983 +H 2.72840229 5.98136063 3.87106244 0.01877312 -0.01106521 0.00210802 0.06568085 -0.04399364 -0.10267027 0.00505780 0.00688327 0.01602768 +C 4.23995191 6.53069215 7.47868514 0.00135338 0.00134561 0.00192984 0.00562229 0.00454115 -0.03971129 0.00058593 0.00011027 -0.01093626 +H 2.26974260 5.94378184 8.10441627 -0.00683067 -0.01497667 0.01539573 0.00796540 0.05264307 -0.08368646 -0.01742141 0.01622450 0.00272166 +C 5.07989414 6.61768546 6.29672103 0.00370500 0.00495696 -0.00231213 0.02809463 0.04624678 0.00467969 0.00304704 0.00752424 0.00092415 +H 4.54364988 6.60419231 8.50705110 0.00696535 0.00453887 0.00008521 0.09619583 0.03784758 -0.05365254 0.01132883 0.00449230 -0.02315255 +C 4.49621161 6.44494174 5.01198524 0.00374271 -0.00093871 0.00112771 0.00713959 -0.00960445 -0.00393421 -0.00370340 -0.00206050 -0.00338878 +N 6.46118177 6.92233395 6.47197899 0.00385838 0.00571543 -0.00562345 0.00780240 0.02893377 -0.01224311 -0.00183541 0.00202844 -0.00112869 +C 3.13726984 6.19476456 4.79807215 -0.01065452 -0.00458109 0.00151079 -0.04756705 -0.03138707 0.03285593 0.00097049 -0.00454894 0.00060994 +H 5.13176650 6.48277718 4.16385449 -0.03704191 -0.01151669 -0.02316298 -0.16530731 -0.05645492 -0.16011390 -0.00655094 -0.00099044 0.00349384 +C 7.43511350 7.15899765 5.58073079 0.00720845 -0.00335022 0.00499918 0.03607841 -0.00975640 0.00076462 0.00047288 0.00074181 -0.00369184 +H 6.74957652 7.03659316 7.46904851 -0.00856912 -0.02560323 0.02148673 -0.04688678 -0.19345119 -0.07898023 0.01268531 -0.02391568 0.00511382 +O 7.24670733 7.28827606 4.33721835 0.00074241 0.00351486 0.00121047 0.01766453 0.01902299 0.03487316 0.00428174 0.00192522 0.00769048 +C 8.83997895 7.37422543 6.20930057 -0.00629765 -0.00287224 -0.00114677 -0.04916327 -0.00290337 0.01082185 -0.00607871 -0.00043978 0.00463253 +H 9.59614409 7.57375637 5.40122397 -0.01354492 -0.01749645 0.00284521 -0.05022825 -0.14433050 0.04664754 0.01079620 -0.01869135 -0.00417101 +H 8.76786297 8.24634159 6.87676208 0.00504513 0.01755113 0.01991806 0.05701377 -0.00750761 -0.07093154 0.00761563 -0.00039393 -0.02516959 +H 9.11134975 6.57775300 6.88697284 -0.00915805 0.00341161 0.01546361 -0.04208332 -0.02219804 -0.00257757 -0.00740029 -0.00498416 -0.01575858 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.90322299 5.79811806 5.84130057 0.00385722 -0.00243468 -0.00030156 0.05612340 -0.01218878 -0.00157000 0.01037922 -0.00357597 -0.00095622 +C 2.29335044 6.08814281 5.89935161 0.00219717 -0.00401294 -0.00818220 0.01032185 0.02822021 -0.04510508 0.00175903 0.01173482 -0.00395279 +H 0.69333902 4.92083483 5.67450714 0.00586338 0.01206068 -0.00963388 0.04092845 -0.02777743 -0.09675313 0.01643767 0.02022223 -0.00808094 +C 2.67884109 7.42104636 6.32560258 0.00303782 0.00517111 0.00233539 0.00691501 -0.00981019 0.00517284 -0.00166665 -0.00709207 -0.00151430 +H 3.17884585 4.25217948 5.06424634 -0.01881796 0.00802443 -0.00440759 -0.15183339 0.05799145 -0.01009874 -0.01264323 0.01282532 0.00301370 +C 4.01486487 7.79991116 6.38864155 0.00292738 -0.00065685 -0.00279868 0.02246033 -0.01911392 -0.01603403 0.00024940 -0.00362488 -0.00040236 +H 1.99804184 8.17166798 6.71447632 0.00150750 -0.00586370 -0.01549069 -0.10469063 -0.05144950 -0.09444893 -0.01873327 -0.01060482 -0.00857997 +C 5.04646476 6.90473879 5.92284898 -0.00566406 -0.00067334 0.00444899 -0.03270892 0.00746226 0.04673334 -0.00121626 0.00087679 0.00766248 +H 4.25663120 8.76109689 6.87350726 -0.01251795 -0.01845025 0.01846747 -0.02447994 -0.06448864 0.03074515 0.01134440 0.01229496 -0.00693300 +C 4.73134916 5.58272994 5.47046842 -0.00381536 0.00161536 0.01246168 -0.04164571 0.02675882 0.07684627 -0.00767288 0.00574957 0.00875168 +N 6.32232309 7.44709392 6.05783698 -0.00183286 -0.00422771 -0.00326305 -0.02700784 -0.02709157 -0.02176913 -0.00603709 -0.00384461 -0.00210668 +C 3.35205290 5.22609605 5.45781504 0.00201648 0.00728671 0.00094724 -0.00182534 0.02877775 0.00124802 -0.00462212 0.00011211 -0.00077754 +H 5.47145980 4.87655376 5.08583069 -0.00989848 -0.00308683 -0.01453559 -0.10582313 0.05244101 0.00434737 -0.00568664 0.00960312 0.01449760 +C 7.47888386 6.85065035 5.94758794 -0.00150443 -0.00473093 0.00743041 0.00365939 -0.01960215 0.03066609 0.00151000 0.00044007 0.00060331 +H 6.44551064 8.46006119 6.16102126 -0.02135546 -0.00998388 0.00994129 -0.18068168 -0.05231841 0.09204366 -0.01850112 0.00357536 0.01429611 +O 7.55863085 5.64386329 5.72648209 0.00231385 0.00358262 -0.00409136 0.03384224 0.01834676 -0.02445000 0.00707165 0.00072354 -0.00290905 +C 8.67504218 7.84247360 5.91938962 -0.00073153 -0.00073988 0.00237747 -0.01647032 -0.02809581 -0.01999206 -0.00292771 -0.00441542 -0.00643072 +H 8.77955121 8.24084402 6.92996621 -0.01356799 -0.00070848 -0.04041765 -0.01401623 0.15526847 -0.04555270 0.00941817 0.02570117 0.00669072 +H 9.60101178 7.34439148 5.66140073 0.00463799 0.00341939 -0.02660559 -0.02171605 0.01290327 -0.10560347 -0.01032245 -0.00215735 0.00266086 +H 8.44464388 8.55979645 5.16711434 0.00997911 0.01628001 -0.02889031 0.09703714 0.02221794 -0.00690802 0.00941208 -0.01781493 0.02611354 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96274704 5.70067623 5.77040347 0.00242195 0.00648839 -0.00211138 0.02736079 0.04255088 -0.01306533 0.00287097 0.00647134 -0.00185076 +C 2.32779286 6.08000400 5.79088519 -0.00893104 -0.00710199 0.00075428 -0.05383701 -0.02193384 0.00023645 -0.00097752 0.00162093 0.00002209 +H 0.82748797 4.73235964 5.85059146 -0.01124941 0.01252356 0.01857526 -0.06504055 0.12086874 0.17170499 -0.00972957 -0.00307407 0.03404326 +C 2.73300025 7.17942523 4.96580820 -0.00036098 -0.00259733 -0.00003103 -0.00709947 -0.05196738 -0.00199271 -0.00446395 -0.00963184 -0.00306871 +H 3.08213642 4.76331549 7.41887051 0.00714062 -0.01532092 -0.02502248 -0.08028685 -0.14824688 -0.12792373 -0.02066321 -0.01223153 -0.01467970 +C 4.08270057 7.50510534 4.82279236 0.00390255 -0.00365383 0.00157264 0.00670734 -0.04805894 0.02728382 -0.00122891 -0.00733422 0.00424886 +H 2.08732116 7.59944346 4.29199015 0.00771254 0.00009457 -0.00346716 -0.07036523 0.06590804 -0.00816922 0.00503502 -0.00550210 0.03019073 +C 5.01340848 6.78756800 5.61238940 0.00214304 -0.00310615 0.00384718 0.03729469 0.01340613 0.01729908 0.00675572 0.00532921 0.00171319 +H 4.29340210 8.24081825 4.08722344 -0.01094352 -0.00903290 0.01446494 0.06757962 0.03877092 0.05625479 0.01877501 -0.00242159 0.01824557 +C 4.63085042 5.79926637 6.53696872 -0.00152467 -0.00290140 0.00146241 -0.00956045 0.00176998 0.01114643 -0.00022748 0.00312829 0.00192345 +N 6.31144208 7.31334670 5.53214543 0.00259759 0.00567419 -0.00915635 0.01509808 0.01306264 -0.03721775 0.00191608 0.00042804 -0.00232616 +C 3.28010503 5.47475624 6.64096776 0.00098360 0.00132446 0.00328708 -0.01059830 -0.00364323 0.01239248 -0.00628754 -0.00362914 -0.00037378 +H 5.33024128 5.45123116 7.28822964 -0.01182117 0.00220660 -0.00037153 -0.03600644 -0.11587600 -0.01704805 0.00204431 -0.02987837 -0.00750158 +C 7.42445984 6.96132076 6.20720447 0.00093824 -0.00416311 -0.00093078 0.01161991 -0.00564498 -0.01252445 0.00210710 0.00386107 -0.00371187 +H 6.43747799 8.14348609 5.01790745 -0.02847366 0.00785587 0.01957548 -0.12919839 0.09872412 -0.02682790 -0.00097016 -0.01499669 -0.00616689 +O 7.52135685 6.28695928 7.23362515 -0.00156132 0.00238886 -0.00237732 -0.02204979 0.00823648 -0.01662439 -0.00466979 -0.00039775 -0.00198667 +C 8.72194443 7.50223347 5.67987480 -0.00050457 0.00582319 0.00554851 0.02343469 0.03142272 0.03219383 0.00671260 0.00225396 0.00199003 +H 9.33743067 7.99776412 6.44497981 0.01779679 -0.00576645 -0.00145598 0.06101165 -0.10278349 0.05599556 0.00549648 -0.02107587 0.02064122 +H 9.30222624 6.66775014 5.34550924 -0.01093995 -0.01299877 -0.02785310 -0.10695161 0.03048715 -0.15273528 -0.01839330 0.02520041 -0.00737153 +H 8.63912054 8.26708567 4.90073758 0.03098486 -0.00417619 0.01921875 0.08944922 0.03318962 0.01199108 -0.00814862 0.01408154 -0.00685734 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96484057 5.73984425 5.79062656 0.00518683 -0.00295751 0.00200136 0.04655808 -0.02210784 0.01180996 0.00790590 -0.00251420 0.00131755 +C 2.29291939 6.11475690 5.84618940 0.01034722 0.00540985 -0.00173228 0.03198147 0.03422476 -0.03590526 -0.00188790 0.00272451 -0.00749153 +H 0.81141047 4.89345602 5.45640406 -0.00962888 -0.02100006 0.00696408 0.00751613 -0.04383002 0.11756444 0.01346413 0.00272890 0.02501377 +C 2.62218283 7.41303006 5.40373409 -0.00251077 0.00735316 -0.00381234 -0.00530964 0.03504820 -0.00294422 -0.00196232 0.00210636 0.00296319 +H 3.07484259 4.16577603 6.33686651 0.00522875 0.00706426 -0.01867219 -0.03119336 -0.01745664 -0.03471587 -0.01221891 -0.00150201 0.00875505 +C 3.98148322 7.82862114 5.44577559 -0.00838222 0.00013798 -0.00148997 -0.03812379 -0.01142222 -0.01004809 -0.00009623 -0.00023375 -0.00224506 +H 1.85396360 8.12102555 5.10065714 -0.00712879 -0.02940532 0.02064179 -0.13869212 -0.05118988 0.08435301 -0.01408337 0.01281124 0.00216968 +C 4.98962163 6.87058914 5.79758424 0.00203232 0.00293027 -0.00070235 0.00040280 0.04238846 -0.01082431 -0.00224280 0.00571551 -0.00157923 +H 4.24433223 8.83718038 5.24130860 0.00489685 -0.00101451 -0.00599159 -0.01633417 -0.01452831 -0.09348479 -0.01448304 -0.01376977 -0.01451820 +C 4.64436002 5.58309273 6.19210153 -0.00358719 -0.00653948 -0.00078218 -0.00826039 -0.01721153 -0.00710749 0.00312644 0.00235946 -0.00142482 +N 6.29727387 7.33453365 5.61384845 -0.00088615 0.00051208 -0.00222829 0.02375507 -0.00086939 -0.01623563 0.00658673 0.00054970 -0.00303741 +C 3.30707551 5.18991203 6.11881872 -0.00240215 0.00345949 0.00279698 -0.01203502 0.01112254 0.02708017 -0.00089347 -0.00076398 0.00430908 +H 5.42281587 4.98765111 6.60240626 0.00200947 0.00834398 -0.00789488 0.00290977 -0.13690577 -0.11770304 -0.01496965 -0.02953753 -0.02935368 +C 7.52186766 6.91071095 6.06839976 0.00418274 -0.00391361 -0.00622305 -0.02411815 -0.04310032 0.00872635 -0.00892855 -0.00712872 0.00795732 +H 6.34279821 8.12607798 5.00814693 0.01237498 -0.00133356 0.01776818 0.08795666 0.07585734 0.04837812 0.00926686 0.00480414 0.00614693 +O 7.55950218 6.08632844 6.99673430 0.00130100 -0.00209871 0.00565728 0.01456101 -0.00937083 0.02258536 0.00244021 -0.00098445 0.00099635 +C 8.81142361 7.53466058 5.61420471 -0.00753707 -0.00287693 0.00588299 -0.02581919 0.01976114 0.00373029 -0.00035196 0.00709532 -0.00202630 +H 9.43485441 8.02549258 6.31705852 0.01981484 -0.00695176 -0.01315675 0.02467535 -0.11593168 0.11533916 -0.02432145 -0.02975361 0.02225736 +H 9.48331659 6.75068707 5.21153668 -0.01879186 0.01180921 -0.00258276 -0.12809732 0.02184821 -0.10868837 -0.01175582 -0.00800885 -0.02947822 +H 8.74355870 8.36897003 4.93590489 -0.00581414 0.03459849 -0.01543509 -0.14039515 -0.04991289 -0.00615065 -0.02891571 -0.03137554 0.00897552 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94334009 5.81850311 5.84729056 0.00149108 -0.00423835 0.00269031 -0.00166987 -0.03216351 0.02090267 -0.00205444 -0.00495374 0.00504562 +C 2.28596744 6.01244968 6.02642840 -0.00605265 -0.00510108 0.00555345 -0.01002955 -0.03059337 0.01209487 0.00252745 -0.00319489 -0.00227413 +H 0.69506780 5.75074654 4.95061790 -0.03986527 -0.00358792 -0.00897539 -0.15786678 -0.02070335 0.10338962 -0.00771293 -0.00323781 0.01474675 +C 2.87390155 6.47036006 7.22210176 0.00107574 0.00749650 -0.00267000 -0.02473309 0.04289281 -0.01594878 -0.00422014 0.00527571 -0.00336557 +H 2.65776634 5.54648671 3.98238109 -0.00977530 -0.00523340 0.00016705 0.05102440 -0.05666519 0.01008727 0.01284047 -0.01177338 -0.00660852 +C 4.20964256 6.84590435 7.24253896 -0.00262501 0.00390955 -0.00380265 0.01329076 0.00497762 -0.01614823 0.00289213 -0.00301702 -0.00082814 +H 2.20683383 6.44534147 8.12069342 0.01539411 0.01713296 0.00412770 0.14115664 0.19543363 0.01566621 -0.00006417 0.03412860 0.01920426 +C 5.07628691 6.67951259 6.13164180 0.00588528 -0.00228864 -0.00184157 -0.02103025 -0.01368951 0.00920791 -0.00945258 -0.00152813 0.00198973 +H 4.71104075 7.03362217 8.20288209 0.00038707 -0.02479204 -0.00548920 -0.07899480 -0.01195502 0.00081140 -0.01118084 0.02511933 0.01514230 +C 4.47630333 6.15437254 4.99166964 -0.00236019 0.00364092 0.00322485 0.02646129 0.03388550 -0.03622293 0.00378918 0.00579729 -0.00748587 +N 6.35676789 7.02781469 6.36753168 -0.00631921 -0.00277694 -0.00337424 -0.00989225 -0.01464556 -0.01462315 0.00237726 -0.00154181 0.00129438 +C 3.14424931 5.82093853 4.91955704 0.00115627 0.00087520 -0.00059146 -0.03354770 0.00942236 0.00034351 -0.00665434 0.00203026 0.00071071 +H 5.05212280 6.11158950 4.02645092 0.01855044 0.02468895 -0.02659304 0.00687472 0.09348097 0.09809944 0.01585884 -0.00112249 -0.00256214 +C 7.44971827 7.16324962 5.60974437 0.00038478 0.00081783 0.00319156 0.00458551 -0.00226004 0.01568114 0.00087628 -0.00138155 -0.00060284 +H 6.57347437 7.19174301 7.32237514 -0.03049926 -0.01781959 0.00021143 -0.16182943 -0.08370090 0.03870480 -0.00661558 -0.00512775 -0.00573976 +O 7.47924467 7.03666571 4.41362507 0.00732897 0.00194914 -0.00040129 0.04520667 0.01273005 -0.01327972 0.00533503 0.00177268 -0.00232216 +C 8.75717436 7.42939153 6.34127256 0.00116167 -0.00363425 -0.00083325 -0.00898800 -0.01024582 -0.00464422 -0.00204444 -0.00118098 0.00330165 +H 8.55060245 7.15432783 7.34584010 0.01871968 0.00417697 -0.00223234 0.20315298 0.01878002 0.08381113 0.03084835 -0.00085476 -0.00393259 +H 9.56250080 6.81580375 5.90952518 -0.01642621 0.01585976 -0.00297414 0.00727592 0.02850414 -0.05757877 0.01356747 -0.00418337 -0.01236715 +H 8.96586529 8.51428153 6.16442648 0.00770642 -0.00361357 0.02573129 0.07898696 -0.06098803 0.21385226 0.01375578 0.00559398 0.02283573 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98097203 5.58209596 5.77421067 -0.00405399 0.00660013 -0.00430034 -0.00990320 0.04806396 -0.01727575 0.00106193 0.00708955 -0.00149866 +C 2.30712938 6.03109544 5.77799075 0.00274612 -0.00354783 0.00362393 -0.00895219 0.00388654 -0.02685729 -0.00363328 0.00336306 -0.00674108 +H 0.67475970 5.30029357 6.59753803 -0.01536555 0.01465715 0.01596824 -0.04716816 0.12525622 -0.01953172 -0.00097521 0.01898575 -0.01219491 +C 2.76499847 6.80292200 4.63317605 0.00290578 -0.00132712 -0.00326083 0.01005944 -0.03683909 0.01028954 0.00189832 -0.00754173 0.00446628 +H 2.82930004 5.38236692 7.75260329 -0.00877561 -0.02209721 -0.01654759 -0.07557111 -0.14606896 -0.03674269 -0.00911650 -0.01592789 0.01094895 +C 4.07222306 7.29216429 4.64794145 -0.00163998 0.00262267 -0.00573824 0.01744514 0.01183012 -0.03573746 0.00589320 0.00098724 -0.00593891 +H 2.11598637 6.98148598 3.76463777 0.01553207 -0.01564637 -0.01010855 0.06910126 -0.08117787 -0.01374369 -0.00435621 -0.00560439 0.00011016 +C 5.03298858 6.95789595 5.67295482 0.00059906 -0.00672641 -0.00598644 -0.01412351 -0.02483237 -0.04822881 -0.00488947 -0.00151133 -0.00305565 +H 4.33270017 7.87713645 3.82183218 0.00539116 0.00413646 -0.00620515 0.08481846 0.02860373 -0.06831796 0.00766182 -0.01090754 0.00678017 +C 4.54608195 6.29669053 6.77763371 -0.00325769 -0.00271212 0.01054952 -0.04268217 -0.01883941 0.06872372 -0.00397216 -0.00157678 0.00815251 +N 6.36014075 7.43639052 5.58430034 -0.00472691 0.00585705 0.00265726 -0.02258363 0.02360509 0.02205335 -0.00050986 0.00030810 0.00359192 +C 3.16047490 5.88783363 6.84513662 -0.00653844 -0.00353908 0.00747780 -0.01094949 -0.03487427 0.06318754 0.00030811 -0.00628705 0.00715131 +H 5.17371076 6.19131832 7.58239005 0.01995746 0.00229323 0.00162117 0.05020568 -0.07563835 0.09037841 -0.03365421 -0.01705774 -0.00641566 +C 7.46201385 6.93493069 6.19714669 0.00384839 -0.00411082 0.00288785 0.02149228 -0.01382819 -0.00788386 0.00057750 0.00112255 -0.00599692 +H 6.51440197 8.10183823 4.83353750 -0.00639208 0.00085803 0.01064803 -0.00110129 0.08813599 0.07894676 0.00315942 0.02057811 0.01412819 +O 7.45913277 5.93189859 6.87066214 0.00911678 0.00479210 -0.00356400 0.05449845 0.01161386 -0.00751075 0.00629755 -0.00218689 0.00171660 +C 8.86760078 7.49879251 5.98484691 -0.00265785 -0.00291346 -0.00282787 -0.01129535 -0.00101615 -0.01576178 0.00071769 0.00388326 -0.00310368 +H 9.39751975 7.03465738 5.18287851 0.03208547 0.01664565 0.00485459 0.11331507 0.09768707 -0.02643619 -0.01520835 0.01684626 -0.00316835 +H 8.86405069 8.56696125 5.85442437 -0.02679034 -0.00330159 0.01696276 -0.17972668 0.01716491 0.06231781 -0.01797938 -0.00267127 0.00033460 +H 9.45461844 7.31935560 6.89183768 0.01728322 0.00542167 -0.00943703 0.05690626 0.03531507 -0.07203708 -0.00231717 0.00375418 -0.00352876 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94190852 5.79748287 5.75901891 -0.00485122 -0.00097596 0.00794309 -0.02638665 -0.01016173 0.05806989 -0.00233703 -0.00352629 0.00892902 +C 2.26454163 6.12804223 5.86196374 0.00332240 0.00016592 -0.00165851 -0.00310555 0.02778046 -0.02188637 -0.00348481 0.00436837 -0.00385203 +H 0.68841541 5.01659648 6.16698399 0.00168676 -0.02892785 -0.04282634 0.05893821 -0.15914638 -0.30369418 0.02146104 0.01327715 -0.05081412 +C 2.61374517 7.49636686 5.76382440 -0.00009129 -0.00091654 -0.00279767 -0.01152846 -0.01940196 -0.01231940 -0.00339481 -0.00137616 -0.00144280 +H 3.03116215 4.20785871 6.14661540 -0.00478395 0.02645305 0.00181228 -0.06581901 -0.05451278 -0.04521516 0.00842515 0.00913989 -0.01737046 +C 3.97426273 7.83210726 5.88160162 -0.01000892 -0.00220752 -0.00155230 -0.02811340 -0.00571461 -0.00961652 0.00347937 -0.00035033 -0.00033423 +H 1.81654851 8.19874077 5.70102080 0.00215732 0.01189635 -0.00594487 0.06966360 0.07905977 -0.07063161 0.01809850 -0.00181578 -0.01001310 +C 5.02904500 6.87790982 6.01361873 0.00540681 -0.00607025 0.00212707 0.01089902 0.00884376 0.00835069 -0.00227719 0.00822620 -0.00038352 +H 4.20569679 8.88519094 5.80169187 -0.00089498 0.00441954 0.01472727 -0.02363471 -0.01869496 0.10885294 -0.00633803 -0.00260549 0.01141067 +C 4.65070246 5.54045648 6.07143905 0.00401879 0.00226255 -0.00560287 0.01455233 -0.00736519 -0.04640480 0.00234452 -0.00385626 -0.00649939 +N 6.31797471 7.40707475 6.13896532 0.00428909 0.00418903 -0.00219308 0.03549762 0.00921655 -0.02174135 0.00187988 0.00386532 -0.00187192 +C 3.25394701 5.19515219 5.98486381 0.00643613 0.00590266 -0.00125369 0.06915404 0.02543216 0.00452151 0.00667281 -0.00250710 0.00194979 +H 5.39872383 4.76136386 6.09294566 -0.02149088 -0.01535753 0.00102344 -0.08030076 -0.08548471 0.06522290 0.00252848 -0.00192529 0.01180256 +C 7.56035102 6.83519729 5.83362363 -0.00326622 0.00733822 -0.00302547 -0.05160463 0.06346332 0.00744514 -0.00583565 0.00344386 0.00311653 +H 6.32914953 8.27070645 6.53577614 -0.00102792 0.01019533 -0.00881077 0.04771454 0.11376714 -0.09224649 0.01307211 -0.02400628 -0.03375106 +O 7.69571326 5.70182560 5.45758922 -0.00241442 -0.00336576 0.00311823 -0.01253890 -0.01988867 0.01827528 -0.00202737 0.00057645 0.00292810 +C 8.71881163 7.79241079 6.15272981 0.00157666 -0.00487519 0.00531907 0.01465460 -0.04367475 0.02525216 -0.00053616 -0.00570359 -0.00097423 +H 9.17783640 8.04801592 5.19636834 -0.02052743 -0.00357707 0.01034981 -0.04727037 -0.02926609 -0.00599351 0.00779847 -0.00539117 -0.00764408 +H 8.44424020 8.77979503 6.58962741 0.00870492 -0.00982276 -0.00849263 0.01709725 -0.07738254 0.02638430 -0.00352306 -0.00030229 0.02193728 +H 9.52158637 7.27844976 6.79479512 0.00378689 -0.00364040 -0.00630915 -0.02947159 -0.00764594 -0.06019352 0.01775357 -0.02001311 0.01258604 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92931595 5.79557559 5.91593569 -0.00074615 -0.00037729 0.00194372 0.00892474 0.00351718 -0.00179616 0.00496004 0.00057144 0.00003686 +C 2.28848050 5.92026154 5.91381388 0.00914056 0.00695055 0.00325975 0.03567956 0.04476796 0.04390753 -0.00161494 0.00605713 0.00409968 +H 0.60904829 6.19292689 5.11185418 0.00096787 0.00348830 -0.02323313 -0.01240139 -0.07719061 0.01294335 -0.01579838 -0.00982995 -0.00755788 +C 3.01528616 5.69424264 7.13433677 -0.00613560 -0.00656269 -0.00586356 -0.02242106 -0.06246114 -0.01253664 0.00229908 -0.00876299 0.00119007 +H 2.34856775 6.73746836 3.93336043 0.00084063 0.02148175 -0.02256425 0.15301608 0.06436448 -0.00497625 0.01375200 0.00587462 -0.01706393 +C 4.43704084 5.88097732 7.27341297 -0.00429656 0.00173194 0.00842217 -0.04450418 0.02665664 0.02659841 -0.00911477 0.00531370 -0.00498599 +H 2.48077041 5.24912518 8.01486576 -0.02486342 -0.01118743 -0.00301666 -0.10576253 0.03057219 -0.13653501 -0.02161503 -0.00048511 0.00014239 +C 5.11367766 6.42990061 6.15133949 0.00103061 -0.00717767 -0.00183706 -0.00275580 -0.03472626 -0.00382106 -0.00191702 -0.00231065 0.00280174 +H 4.98710502 5.76877887 8.25818582 0.02090514 0.01054609 0.00620976 -0.04086705 -0.01320097 -0.08429488 -0.01323487 -0.01710079 0.01086344 +C 4.36911084 6.76643792 4.94869374 -0.00446169 -0.00214282 0.00696334 -0.02529806 -0.02690443 0.03856224 -0.00175811 -0.00608671 0.00455030 +N 6.47802125 6.69558908 6.34668913 0.00050716 0.00726387 0.00131655 0.01051570 0.03812386 0.00731533 0.00039598 0.00312246 0.00019334 +C 2.95116630 6.47431041 4.84898790 -0.00139078 -0.00289505 -0.00660562 0.02032906 0.00162161 -0.05765579 0.00805657 0.00163038 -0.00321069 +H 4.86192067 7.21017730 4.06364397 0.02001617 -0.00561224 -0.00125086 0.04229973 -0.07232367 0.14249990 0.00270600 -0.00114721 0.01398669 +C 7.43590060 7.38385953 5.65757696 0.00230243 -0.00490279 -0.00215248 -0.00894533 -0.02940069 -0.03586658 -0.00307257 -0.00233041 -0.00659710 +H 6.90048401 6.18326706 7.10528209 0.00531759 0.01211789 0.02020734 -0.05263557 0.17462319 0.08972068 -0.01168432 0.03114038 0.01406012 +O 7.23608595 7.95229626 4.56061056 -0.00232435 0.00466205 -0.00189946 -0.01061575 0.02391920 0.00500288 -0.00087777 0.00199897 0.00284323 +C 8.81280032 7.33239341 6.29859578 -0.00020137 -0.00070053 -0.00049882 0.01997281 -0.00355826 -0.00894736 0.00612596 -0.00080076 -0.00104014 +H 9.45737992 6.55417415 5.94620000 0.00763461 -0.01853989 -0.01477579 -0.06687696 -0.03370461 -0.10606709 -0.02520847 0.01454054 -0.01274602 +H 9.34751345 8.24806969 6.21122102 0.02796374 0.01255890 0.00269902 0.05894747 -0.00808090 -0.00416561 -0.01545872 -0.02078000 -0.00787614 +H 8.60777590 7.13233017 7.33221288 0.03071540 -0.00673365 -0.00338278 0.23795182 -0.02932140 0.05461171 0.02811061 0.00046975 -0.00417206 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04060843 5.80163226 5.83335716 0.00229931 0.00154148 -0.00163551 -0.00278536 0.00722896 -0.00627581 -0.00302200 0.00021523 0.00053655 +C 2.33797727 6.00208857 5.95627571 0.00347354 0.00339014 0.00560284 0.00900073 0.01186413 0.00565673 -0.00117865 -0.00031413 -0.00298663 +H 0.75515804 6.20985562 4.99359537 -0.01196246 -0.00883503 0.01305473 -0.13800831 -0.06580587 0.02543890 -0.02351206 -0.00531240 -0.01291964 +C 2.88796701 6.05141593 7.20438936 0.00415443 -0.00234034 -0.01095999 0.02926524 -0.00954481 -0.00235962 0.00639837 0.00017839 0.00380162 +H 2.65594440 5.99813447 3.79836647 -0.01111326 0.01045626 0.00411495 -0.01412561 0.05737293 0.08104593 0.00531172 0.00158602 0.01106272 +C 4.25749901 6.38857163 7.42031403 -0.00128172 -0.00183414 -0.00350554 0.00006070 -0.01381982 -0.03643364 0.00171753 -0.00152166 -0.00363193 +H 2.20345901 5.88975805 8.12131497 -0.02180174 -0.00417536 -0.00498200 0.04348756 -0.00484131 -0.19499315 -0.01006716 -0.00749490 0.01724338 +C 5.05729576 6.62477439 6.26359744 -0.00318190 0.00488913 -0.00037721 -0.01352086 0.03349642 0.01497475 0.00116157 0.00455009 0.00123007 +H 4.73486081 6.41997653 8.36575005 0.01505845 0.00986162 0.00513146 -0.05389867 0.05804099 -0.00273485 -0.02986244 0.00319797 -0.01418249 +C 4.45700342 6.45475492 5.01780986 -0.00322180 0.00315920 0.00646291 -0.02761312 0.01221645 -0.02312132 -0.00435993 0.00058522 -0.00838024 +N 6.38837166 6.95616429 6.46620903 0.00607034 0.00043350 -0.00006193 0.03500464 0.00666385 -0.00524693 0.00238027 0.00107835 0.00084828 +C 3.08344160 6.11919618 4.79397924 -0.00081175 -0.00768952 0.00574850 0.02403978 -0.03329232 0.05077607 0.00617946 -0.00142615 0.00731253 +H 5.04104606 6.52269373 4.09282919 -0.03136816 -0.00382663 -0.04054919 -0.17941330 0.04017309 -0.02994754 0.00265775 0.01851832 0.00561657 +C 7.40022279 7.28715941 5.61895718 -0.00393010 -0.00410461 -0.00284431 -0.01958617 -0.03728983 -0.05182977 0.00134362 -0.00585915 -0.00851928 +H 6.65879579 6.95761736 7.38766967 0.01339602 0.00579390 0.00341043 0.09074868 0.01928195 0.03598188 0.00131383 -0.00078642 -0.02838931 +O 7.34525564 7.38823466 4.36594093 -0.00006246 0.00191795 -0.00484625 -0.01341144 0.01274537 -0.01413486 -0.00390775 0.00160094 -0.00047266 +C 8.76511552 7.33346667 6.18899848 -0.00293418 -0.00166247 0.01024569 0.00572554 -0.00561311 0.07041930 0.00150263 0.00153796 0.01008113 +H 8.77340760 6.92281873 7.19387365 -0.01008133 0.00614616 -0.00617998 -0.05751698 -0.05626120 0.08269535 -0.00331720 -0.01056408 0.01936515 +H 9.49304009 6.76432948 5.56594067 0.01651381 -0.01154257 0.00812563 -0.02316755 0.00102698 0.14754395 -0.00389054 -0.00405538 0.01791860 +H 9.14511045 8.30967507 6.36872823 0.01365200 0.00897911 -0.00198700 0.01470779 0.04163441 -0.08278490 -0.01382012 -0.01185815 -0.01549611 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95992539 5.73590445 5.70540470 -0.00498299 0.00146308 -0.00240954 -0.03837853 0.01576496 0.00016141 -0.00557675 0.00265153 0.00086375 +C 2.31454060 6.04284547 5.78213788 -0.01105103 -0.00370923 0.00189069 -0.05545614 -0.03916754 0.00071542 -0.00179466 -0.00642858 -0.00186840 +H 0.40056330 5.91457476 6.44083355 -0.01338159 -0.00926423 0.02308464 0.06835103 -0.08545549 0.05310829 0.01397168 -0.01190842 0.01581119 +C 3.01644487 5.93065275 4.58524081 0.00518060 0.00576971 0.00013392 0.01003657 0.01877985 -0.00300196 -0.00138523 0.00000990 0.00075576 +H 2.61138172 6.53298620 7.90306924 -0.01005929 0.03314886 -0.00237679 -0.09116018 0.02048881 -0.04649534 -0.01940444 -0.02033126 0.00437855 +C 4.36019654 6.21445267 4.48235825 0.00725921 -0.00571081 0.00436232 0.04710706 -0.03675943 0.01857009 0.00289245 -0.00432589 0.00235264 +H 2.49802756 5.47317825 3.73008749 0.01323598 -0.00000284 -0.00677018 0.07725960 0.13762419 -0.04930091 -0.00266932 0.03022928 -0.02021061 +C 5.07495461 6.60604176 5.64460334 -0.00079255 -0.00096920 -0.00065243 0.01502617 -0.02265654 -0.02325651 0.00497346 -0.00566670 -0.00297598 +H 4.79919085 6.06021848 3.47134789 -0.00992706 0.00841582 -0.01884070 -0.00404240 0.09078951 0.06002477 0.02348072 0.01062330 0.00435227 +C 4.43330958 6.60622860 6.88946244 0.00704489 -0.00704821 -0.00337683 0.02789349 -0.04164716 -0.00241638 -0.00262051 -0.00514811 -0.00042841 +N 6.43790376 6.75829089 5.41019842 -0.00320629 -0.00160068 0.00327627 -0.00752673 -0.00853933 0.02134597 0.00193352 0.00004233 0.00294020 +C 3.07623258 6.26870075 6.95099698 -0.00515263 -0.00085343 0.00017505 -0.04684108 0.03153280 0.00937832 -0.00619491 0.00873015 0.00032142 +H 4.92311577 6.88599532 7.84538384 0.00647267 0.02506006 0.00712651 0.02090157 0.08150107 -0.12581827 0.01322673 0.00399285 -0.01106081 +C 7.38808317 7.28722535 6.20907698 0.00271897 0.00107595 0.00555393 0.02016718 -0.01362058 0.01584928 0.00246595 -0.00502975 -0.00196110 +H 6.72823580 6.28851640 4.56414222 -0.02255840 0.00584566 -0.02127275 -0.06647381 0.17513106 -0.05293734 0.00961593 0.03614929 -0.00263122 +O 7.15918074 7.63963147 7.34793510 0.00438905 0.00112033 -0.00542511 0.02508443 0.01899872 -0.01754742 0.00270686 0.00441949 0.00119700 +C 8.85604275 7.34642732 5.75805789 0.00106588 0.00643837 0.00071259 0.00755789 0.02661169 0.00495036 0.00090471 0.00298571 -0.00117694 +H 9.01867185 7.97800898 4.90884862 0.00032166 0.00245726 0.01974089 -0.02384697 0.14457160 0.02480187 -0.00900212 0.02289267 0.00707909 +H 9.40450964 7.79035287 6.61201531 0.00745856 -0.02671313 -0.00443705 0.11485930 -0.13732488 -0.01042075 0.02346343 -0.00971932 0.00582383 +H 9.34710404 6.38576953 5.54492460 0.00766704 0.00195155 -0.02227865 -0.08400103 0.05620165 -0.12134312 -0.02495915 0.00247712 -0.01775523 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01884448 5.66676734 5.84672574 -0.00106452 0.00239401 -0.00119538 0.00414586 0.02824601 -0.00196373 0.00025338 0.00250669 -0.00087151 +C 2.34245233 6.09998997 5.96133751 -0.00079558 -0.00578621 0.00105326 -0.04174923 -0.03386648 -0.00507154 -0.00542869 -0.00204189 -0.00252093 +H 0.93033027 4.85656419 5.41665293 0.00488282 0.01752364 0.00834819 0.00951791 -0.01885214 -0.00753327 0.00055192 0.01877115 0.01126525 +C 2.55689893 7.38937986 6.43693415 0.00829877 0.00503792 -0.00548647 0.08249638 0.01662676 -0.04147842 0.00844075 -0.00056532 -0.00526299 +H 3.17059450 4.38421836 4.80660345 0.00747781 0.01284542 -0.01511068 -0.04610887 -0.00581638 0.00284723 -0.02068787 -0.03870610 -0.00058912 +C 3.91237709 7.85265011 6.50383752 0.00438464 -0.00109367 -0.00177397 0.05805672 -0.03581610 -0.01014500 0.01146167 -0.00389862 0.00104543 +H 1.77664316 8.00246132 6.71933973 0.01494628 -0.00616335 -0.01276069 -0.00201257 0.05458883 0.00459542 0.02675075 -0.00404099 -0.00204824 +C 5.02165401 6.97007115 6.03266575 0.00308554 -0.00184878 0.00806385 -0.01980248 0.00496704 0.04676542 -0.00500249 -0.00017946 0.00312268 +H 4.08108557 8.74818802 7.00332717 0.00991696 0.00240193 0.00797341 0.09534889 0.03895448 -0.04972177 0.01067903 -0.01790965 -0.03294088 +C 4.65228142 5.73226360 5.43404471 -0.01339365 -0.00057030 0.00123358 -0.04621975 0.00192071 0.02526121 -0.00005104 0.00274732 0.00643093 +N 6.32965809 7.46037112 6.04480618 0.00450689 -0.00030200 0.00079328 0.02177390 -0.00768811 0.00799262 -0.00036325 0.00137350 0.00357743 +C 3.33573790 5.31845999 5.41192138 0.00019735 -0.01019874 -0.00086783 -0.00897064 -0.06853861 -0.01526821 -0.00510912 -0.00582842 -0.00101916 +H 5.38919275 4.99298192 5.07753957 -0.00267020 -0.00317936 0.00077183 -0.07114021 0.09881604 -0.04288756 0.00211620 0.01294027 -0.01984721 +C 7.49057247 6.85110348 5.76555790 0.00213554 0.00140897 0.00325096 0.02061350 -0.01282433 0.03802852 0.00289468 -0.00269999 0.00731284 +H 6.51684816 8.37535071 6.31217702 -0.01670365 -0.01574395 0.01590472 -0.13750596 0.04063401 0.13648570 -0.01426972 -0.01751340 0.00330931 +O 7.59043792 5.62538323 5.55267723 -0.00579880 0.00350256 -0.00264036 -0.03250061 0.03439403 -0.02237624 -0.00299866 0.00492190 -0.00384708 +C 8.74218410 7.70905801 6.01046758 0.00032968 0.00238035 0.00046354 -0.00626087 0.02735676 -0.01569387 -0.00405621 0.00449658 -0.00214769 +H 8.68485542 8.10602455 7.02334822 -0.00186925 0.00964805 -0.02150859 0.00636964 0.12048702 -0.03319084 0.00511431 0.01741883 0.00403273 +H 9.78612433 7.28876762 5.88105851 -0.00494856 0.02239180 -0.00153731 -0.08146845 0.00381318 -0.03013928 0.00741483 -0.02724572 -0.01008595 +H 8.69305599 8.55532628 5.27240795 -0.01527462 -0.00197243 -0.00296587 -0.08026799 -0.02637248 0.02791475 -0.00657812 0.01425859 -0.01086042 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.92193402 5.82352075 5.78751446 -0.00483325 0.00155655 -0.00117005 -0.01774251 0.01197142 -0.01107159 -0.00051432 0.00193766 -0.00035749 +C 2.27039829 6.09454223 5.94272997 -0.00023983 -0.00533234 0.00140403 -0.02627673 -0.03956422 0.00562134 -0.00558966 -0.00535887 -0.00053426 +H 0.75213069 5.54336500 4.86464828 -0.00799140 0.01054100 -0.00192370 -0.09242356 0.05275049 0.02088844 -0.02057803 -0.00257848 -0.01813152 +C 2.65259156 7.00858501 6.95626651 -0.00953373 -0.00388320 -0.00656912 -0.02051882 -0.02132373 -0.06100618 0.00352847 -0.00132178 -0.00850554 +H 2.88505001 4.87999230 4.25359937 -0.00682810 -0.00745717 0.01003756 0.00737760 -0.05994527 0.10346736 0.01822259 0.00323175 0.02571508 +C 4.01559405 7.40008093 6.96476792 0.00168871 0.00182159 -0.00068595 -0.00579633 -0.00194385 -0.00137663 -0.00147509 -0.00046849 0.00124747 +H 1.96705701 7.55758871 7.60577683 0.00252651 -0.01425941 -0.00157276 -0.07353066 -0.14785586 -0.02341423 -0.01927948 -0.02188418 -0.00728027 +C 5.05906927 6.82197617 6.18457899 0.00167516 -0.00010484 0.00605419 -0.00186529 -0.02358595 0.00402225 -0.00188688 -0.00354919 -0.00230771 +H 4.13126252 8.17318057 7.68110490 0.01526677 -0.01691648 -0.02523558 0.24059545 0.05779065 -0.03043375 0.02879205 0.00337384 -0.00363571 +C 4.60945754 5.77190322 5.21617876 -0.00286192 -0.00036839 0.00182364 0.00390203 0.04082773 0.04292975 0.00611938 0.01073573 0.00868538 +N 6.37587195 7.38828670 6.25130500 0.00735652 0.00235587 0.00412384 0.00627805 0.00799419 0.02997137 -0.00487803 -0.00115129 0.00330925 +C 3.20266829 5.49460828 5.05076312 0.00592701 0.00638903 0.00403143 0.04222818 0.04291680 0.03726198 0.00312075 0.00320496 0.00504001 +H 5.27351762 5.26575240 4.54891330 0.02933841 0.01724331 0.01111562 0.11321678 0.13188255 0.08726729 -0.01039206 0.01606554 0.01377723 +C 7.52340301 6.98688215 5.72636360 -0.00182325 -0.00006542 -0.00121493 0.00659418 -0.02017388 -0.02615862 0.00227048 -0.00332001 -0.00403562 +H 6.37065381 8.28603753 6.72733642 -0.00417796 -0.00402124 -0.00921633 0.06831824 0.02575316 0.01382147 0.01950024 0.00618132 0.01173745 +O 7.58261199 5.94019822 5.04413446 0.00275696 0.00117819 -0.00076532 0.02247075 0.01713059 -0.00124504 0.00367374 0.00235019 -0.00048011 +C 8.82774843 7.77525629 5.99875548 0.00232927 -0.00072802 -0.00485579 -0.02897484 -0.01558956 -0.02902373 -0.00743808 -0.00524914 -0.00366927 +H 9.48193203 7.03129540 6.38845850 -0.02440703 0.00160259 -0.02281779 0.05890351 -0.04137028 -0.02499475 0.01814796 0.00805608 0.00137186 +H 9.27895787 8.25955500 5.13161895 -0.02365219 -0.01214013 0.02385622 -0.06712408 -0.02033065 -0.10860205 -0.00325235 0.00253631 -0.03382441 +H 8.61953104 8.61377488 6.68283926 -0.01552205 -0.02366761 -0.01068053 -0.05172024 -0.11366943 0.07143136 0.00257010 -0.00356823 0.02619013 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.04105820 5.49958789 5.89857034 -0.00216041 -0.00333337 0.00428129 -0.01506940 -0.02204476 0.02102089 -0.00029229 -0.00212726 0.00159456 +C 2.29105442 5.97073534 5.97824068 0.00272891 0.00158249 0.00519439 0.02704752 0.02352741 0.01378638 0.00211409 0.00401896 -0.00182948 +H 0.77798390 5.40847633 5.02094593 0.02602792 -0.00105070 -0.02158757 0.12541819 -0.01656909 -0.00385731 0.00428392 -0.00624308 0.01634324 +C 3.00911465 6.05230242 7.18275191 -0.00339937 0.00401479 0.00131471 -0.04717845 0.00567434 0.02150432 -0.00996994 -0.00339296 0.00585032 +H 2.55941256 6.46621964 3.84631556 0.01397048 0.03368027 -0.00166322 -0.05400030 0.14619477 0.00122565 -0.01387825 -0.00019627 0.02763231 +C 4.35099903 6.40111075 7.28303836 -0.00576714 0.00051260 0.00121543 -0.04324668 -0.00533915 0.02526910 -0.00556383 -0.00179153 0.00446497 +H 2.52475145 5.73523220 8.07026024 -0.01685928 -0.03398000 -0.02348165 -0.12325087 -0.16050994 -0.06212728 -0.00630713 -0.00009678 -0.00239071 +C 5.09969598 6.63661732 6.17059891 0.00196945 -0.00092477 -0.00258912 -0.01687293 0.00208566 -0.03273294 -0.00554840 0.00127943 -0.00432049 +H 4.79822747 6.38424563 8.26218036 -0.01558130 -0.00911227 0.00947287 -0.07781600 -0.06658315 0.03721090 -0.00325603 -0.00845345 -0.00003218 +C 4.40495387 6.76888210 4.90832095 0.00023451 -0.00089686 -0.00666559 -0.02254021 -0.02585995 -0.01886608 -0.00503136 -0.00558646 0.00057302 +N 6.42502061 6.76238483 6.44663820 0.00194027 0.00222529 -0.00285091 0.03594495 0.02950875 -0.04295207 0.00522752 0.00589590 -0.00890963 +C 2.95482880 6.42676802 4.81834748 -0.00494642 -0.00364976 0.00113364 0.04229200 -0.00381891 0.00492637 0.01274844 0.00282405 -0.00162981 +H 5.04984577 7.04221853 4.07390641 -0.00108440 0.00594990 -0.00121319 -0.16241380 0.02215125 -0.09448717 -0.03397040 0.00029904 -0.02018070 +C 7.39549404 7.21041764 5.61152763 0.00507716 0.00348128 -0.00485386 0.03656315 0.00882552 0.01641793 0.00485033 0.00021666 0.00614548 +H 6.76767213 6.51566909 7.38423341 0.00357099 0.03092728 0.00090703 -0.03428496 0.19247381 -0.01397011 -0.00667675 0.01879399 0.00622157 +O 7.23556643 7.60297672 4.48626223 0.00240914 0.00037594 0.00082647 0.02078130 0.00911259 -0.01240000 0.00373960 0.00182587 -0.00334865 +C 8.79287831 7.20585883 6.28492805 -0.00295951 -0.00475352 0.00274129 0.00059939 -0.01946075 0.00991844 0.00405049 -0.00179975 0.00267120 +H 8.96044384 8.05837791 6.89474625 0.02813413 -0.00215040 0.02996565 0.05669841 -0.11376044 0.14511425 -0.01835210 -0.03765616 0.00404779 +H 9.01859702 6.31713902 6.83103894 0.00244978 -0.01599570 -0.01669850 -0.04506939 -0.13136538 -0.08704671 -0.01580061 -0.00360514 -0.01826730 +H 9.58014568 7.24795449 5.52135992 0.01261496 0.01530136 0.01274142 0.00263787 0.09435804 0.05867004 -0.00539558 0.01043545 -0.00382344 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.96522402 5.77232880 5.82210003 0.00019745 0.00003740 0.00131177 -0.00765540 -0.00463633 0.00949609 -0.00155539 -0.00285886 -0.00026862 +C 2.26488845 6.07749484 5.87128381 -0.00304639 0.00405843 0.00081710 0.02657735 0.04972749 0.01237833 0.00639179 0.00681277 0.00145324 +H 0.72936855 5.14257852 5.20889168 0.00708575 0.00118234 0.00951265 0.04812169 -0.07556851 0.00703024 0.01493792 0.00729514 0.02044919 +C 2.63588611 7.31408576 6.51366312 -0.00994577 0.00435532 0.00309999 -0.06851683 0.00519563 0.01751364 -0.00760827 0.00016003 0.00310089 +H 3.13834379 4.36869291 4.89212530 0.02742496 0.01344730 0.02036706 0.08981698 -0.11685184 0.03383619 -0.00314678 -0.00822128 0.00527820 +C 3.98736996 7.70706187 6.56691876 -0.00342554 -0.00532370 -0.00648358 -0.02910648 0.00061215 -0.03896471 -0.00327118 0.00296301 -0.00595033 +H 1.88863502 7.87451757 6.98191282 -0.02569025 0.00237242 0.02224763 -0.08489588 0.01366131 0.06572603 0.01386089 -0.00983315 -0.01355427 +C 5.00347357 6.99502273 5.95843569 0.00839830 -0.00476599 -0.01122174 0.05266763 -0.04599449 -0.05378552 0.00094860 -0.00426642 -0.00132950 +H 4.17435954 8.63760802 7.04421886 -0.00044997 0.02230952 0.01155148 0.00536007 -0.04082828 -0.01319831 0.00199725 -0.02480553 -0.01203709 +C 4.68796553 5.68789970 5.43757682 -0.00376173 0.00074812 0.00254485 -0.01140891 0.01924628 0.00350970 0.00301123 0.00202090 -0.00271418 +N 6.33609646 7.49901184 6.05352964 -0.00029337 -0.00668015 0.00388632 -0.00061543 -0.05505414 0.02293982 0.00074905 -0.00521269 0.00317229 +C 3.34983478 5.29119889 5.35749290 0.00343488 -0.00159631 -0.00184371 -0.01194793 0.00435976 0.00238378 -0.00569838 0.00030374 0.00144026 +H 5.34065420 5.00917783 4.96548568 0.02571926 0.01138564 0.01466174 0.16111561 0.08965631 0.13438448 -0.00766725 0.01369825 0.02325380 +C 7.51775231 6.83433955 5.92875828 0.00337988 0.00464014 -0.00059226 -0.00764888 0.05993275 -0.01630782 -0.00324509 0.00630606 -0.00476400 +H 6.41775478 8.48684111 6.18344085 0.00517217 -0.02624231 0.01598731 0.01225169 -0.04746515 0.15261233 -0.00771116 -0.00957552 0.02160320 +O 7.55793161 5.67115760 5.69496445 -0.00225560 0.00386533 -0.00109875 0.00216761 0.00733328 -0.00680480 0.00313664 0.00027758 -0.00054556 +C 8.72763624 7.76365686 5.82917959 0.00275089 0.00031155 0.00151763 0.04231849 -0.02433798 0.00492344 0.00627256 -0.00564720 -0.00067996 +H 8.91133623 8.37803140 6.76289227 -0.00666820 -0.01915562 -0.00074668 -0.06271656 -0.08791549 -0.00590213 -0.00580161 0.00812657 0.01874394 +H 9.59241528 7.09400336 5.67593556 0.04059911 -0.00035209 -0.00725112 0.07896027 0.14515529 0.00708951 0.00198645 0.02035912 0.00352662 +H 8.67537772 8.38485539 4.92223448 -0.01005055 -0.00299105 0.00120012 -0.06817183 0.02327169 0.07136275 -0.00584726 0.01325624 0.01410417 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97750160 5.74250555 5.84191968 0.00026717 0.00037159 0.00296464 0.00579693 0.01154538 0.00904974 0.00139063 0.00274234 -0.00044485 +C 2.29486329 6.16258635 5.78668771 0.00448333 0.00049593 -0.00194314 -0.00682050 -0.00300323 -0.00401585 -0.00433433 -0.00299827 0.00132274 +H 0.42359763 5.90339289 5.12187239 -0.00817566 0.02862415 -0.00759305 0.05659364 0.20400011 0.04993465 0.01693719 0.03032532 0.01929787 +C 2.67732817 7.51360874 5.77664844 -0.00517982 -0.00199633 -0.00091216 -0.01766618 -0.01099003 -0.01098599 -0.00082766 -0.00080215 -0.00257155 +H 3.02306216 4.07172282 5.89025637 0.01237730 -0.00235049 -0.01784594 0.00478315 0.09808037 -0.10013490 -0.01770395 -0.02406908 -0.00600054 +C 4.05724040 7.83234836 5.88766151 -0.00321774 -0.00762062 -0.00156419 -0.02877320 -0.04420089 -0.01703316 -0.00327133 -0.00089436 -0.00256211 +H 1.96607916 8.30916623 5.64914026 0.00833025 0.00036405 -0.00413794 -0.02081553 0.01136617 -0.00890664 -0.00806615 -0.00408846 0.00402988 +C 5.03256189 6.83340186 6.07154121 0.00646897 0.00806400 -0.00123407 0.02092963 0.04715918 -0.00519541 -0.00279537 0.00205136 -0.00082340 +H 4.37287188 8.82505669 5.68714024 0.01161967 -0.01774569 0.01632640 0.01372715 0.00493251 0.18018950 -0.01921265 -0.00095238 0.02988672 +C 4.63950895 5.49650277 6.07364705 0.00572163 0.00218489 -0.00367384 0.02330490 0.02444035 -0.03635752 0.00375027 0.00293786 -0.00499093 +N 6.31547904 7.34073909 6.27665937 -0.00623520 -0.00449065 0.00118337 -0.02278226 0.01003163 0.01460325 0.00186132 0.00291851 0.00129218 +C 3.25632355 5.19258170 5.88040392 -0.00090449 0.00122278 0.00369713 0.04120111 -0.02418623 0.03105088 0.01089829 -0.00168499 0.00385929 +H 5.39303917 4.75711403 6.05850981 0.00037935 0.01398025 0.01312828 0.02893796 -0.03898799 0.15013014 -0.01179539 0.00001799 0.01933097 +C 7.51547048 6.86920595 5.93885712 0.00198149 0.00475870 0.00048006 -0.02132859 0.00652678 -0.00055916 -0.00753182 -0.00421108 -0.00089890 +H 6.27650104 8.33518281 6.63806675 0.00691838 0.02776738 -0.00415141 0.08328674 -0.06855719 -0.13517909 0.01118537 0.02552212 -0.00985581 +O 7.62695758 5.70642024 5.61447208 -0.00257072 -0.00281895 -0.00136853 -0.00376790 -0.01801033 -0.01214861 0.00120094 -0.00134133 -0.00178915 +C 8.65637795 7.84974535 5.87419890 -0.00064528 0.00096074 0.00013464 0.00621851 -0.00012317 0.00888161 -0.00107426 0.00057112 0.00295942 +H 9.38496988 7.68476649 6.71003214 -0.00947173 -0.00738269 -0.01079002 -0.04719579 -0.06701431 -0.01849609 0.00650181 -0.01029343 0.02344715 +H 9.20437329 7.79002168 4.88566756 0.00381470 -0.01930501 0.03182077 0.06426600 -0.16449421 0.11622330 0.02134776 -0.02135096 -0.01747656 +H 8.36361157 8.86817442 5.93081952 -0.00635041 -0.01886663 0.00122935 -0.10256174 0.03604620 0.02018880 -0.00439528 0.00203892 -0.00100489 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.99471827 5.66382961 6.03709696 0.00273915 0.00052774 -0.00356873 0.04874910 -0.00107907 -0.03212059 0.00900502 0.00106709 -0.00442644 +C 2.33669634 6.11222002 5.93446956 0.00322086 0.00037736 0.00235726 -0.01597099 -0.02773501 0.00687863 -0.00396707 -0.00692527 -0.00015957 +H 0.97373480 4.74168080 5.70926583 0.00095425 -0.00579706 -0.00832716 -0.06100702 0.04555838 -0.02604693 -0.01638496 -0.01814948 -0.01327138 +C 2.64724193 7.27687660 6.55843278 -0.00162056 -0.00396291 0.00117365 0.01732395 -0.00995321 0.00809145 0.00225831 0.00328108 0.00288780 +H 3.14056134 4.53786380 4.73959226 -0.01112160 0.01648167 0.01416961 -0.12645400 -0.11048434 0.00498594 -0.00126464 0.00208190 0.01272952 +C 3.97470018 7.71889451 6.43530665 -0.00960844 0.00188566 -0.00367556 -0.02150336 0.03933766 -0.00621808 0.00534959 0.00884707 0.00233912 +H 1.99193475 7.79410764 7.18192854 0.02555761 0.00661936 -0.01531117 -0.04867979 0.11931941 -0.03193637 -0.01023561 -0.00103612 -0.01654737 +C 5.03573016 7.04498599 5.78870993 0.00281492 -0.00139322 0.00284942 -0.02249802 -0.02236168 0.02661475 -0.00949716 -0.00095825 0.00599412 +H 4.23761443 8.57225247 6.96117336 0.02279096 0.01233005 0.01359388 0.02036014 0.04429102 0.02129148 -0.02387041 -0.00983789 -0.01682515 +C 4.69427001 5.79090301 5.17370931 -0.00323156 0.00699001 -0.00027176 -0.01779872 0.06260480 0.00395514 -0.00034536 0.00740951 -0.00071587 +N 6.31675643 7.54091113 5.93463959 -0.00408093 0.00244781 -0.00192179 -0.02957651 0.01496394 -0.01279189 -0.00173545 -0.00014677 -0.00126920 +C 3.34607037 5.40625325 5.23478119 0.00305684 -0.00340724 0.00471257 0.00476646 -0.02620592 0.03195177 -0.00393181 -0.00786674 0.00212564 +H 5.36506975 5.12116829 4.70888871 0.00959946 0.02549846 -0.00881311 0.08908175 0.19120308 -0.08068926 -0.00491361 0.03448375 -0.00378332 +C 7.44349842 6.86553927 5.94498438 0.00098908 0.00263956 0.00187300 0.01084920 -0.03190764 -0.00445538 0.00060999 -0.00976320 -0.00369643 +H 6.32081348 8.55966054 6.09683491 0.00443042 -0.01900779 0.02979349 0.09081817 -0.05352822 0.19982609 0.01233027 0.00781553 0.02290680 +O 7.53474928 5.62521646 5.84037706 -0.00212655 -0.00966485 0.00096888 -0.01587583 -0.04232589 0.01121407 -0.00215213 -0.00217270 0.00222526 +C 8.69604251 7.65591981 5.98322516 0.00212917 0.00265524 -0.00651444 0.03537629 0.01945662 -0.02725479 0.00525975 0.00173176 -0.00356722 +H 8.74614692 8.20431548 6.98486834 -0.01290309 -0.00965601 -0.00097255 -0.08566826 -0.01381558 -0.11560994 -0.00668559 0.02232165 0.00702201 +H 9.60223477 7.01982733 5.98255494 0.02794524 0.00290655 0.00699832 0.01580240 0.09246344 -0.01960197 -0.00199751 0.00919265 -0.00959774 +H 8.66452973 8.30153124 5.08506012 0.00653770 0.01270911 0.00699982 0.10763340 0.12742679 0.08593651 0.01917357 0.02328656 0.00788838 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.97618339 5.79389283 6.01531168 0.00342379 -0.00298208 -0.00266053 0.04409930 -0.00962968 -0.02380203 0.00769252 -0.00226409 -0.00459989 +C 2.31451260 6.15267743 5.88997151 0.00520360 -0.00156030 0.00020582 0.00149553 -0.00692941 0.01303392 -0.00316888 0.00046102 0.00329348 +H 0.91867052 4.88264677 5.78390140 0.02071314 0.02201628 -0.00187925 0.03193553 -0.04375275 -0.03923085 -0.00823356 0.00432355 0.00049092 +C 2.60742298 7.52442401 6.05480941 0.00595522 0.00078414 0.00152078 0.06704829 -0.01586770 0.00799405 0.00911241 -0.00282231 0.00067368 +H 2.94517408 4.15095378 5.69981144 -0.00852261 -0.01332066 0.00014379 0.05972809 -0.06498807 -0.01364972 0.02507512 0.01919911 -0.00340716 +C 3.98746448 7.88968094 6.18319243 0.00510389 0.00828516 0.00615373 0.01020987 0.02998364 0.01242971 0.00107331 0.00193622 -0.00265208 +H 1.77017368 8.17796066 6.09521453 0.02026277 -0.00219359 -0.02628274 0.10931737 0.11022881 -0.06908809 0.02690426 0.00993463 0.00749100 +C 4.99172336 6.93730557 5.86442025 -0.00381265 -0.00245718 0.00069100 -0.00251804 -0.02065051 0.02316772 0.00430710 -0.00120174 0.00612285 +H 4.17797536 8.90017231 6.39116634 -0.00190377 -0.00269718 -0.01825377 0.08092097 0.11365689 -0.08339563 0.01210407 -0.00454061 -0.00895011 +C 4.62692413 5.55146290 5.66646152 0.00513886 -0.00490375 0.00068431 0.03911978 -0.01162271 0.01695929 0.00332051 -0.00178600 0.00397509 +N 6.32418589 7.36565341 5.99292708 0.00566064 0.00571247 0.00027870 -0.01010114 0.04084853 -0.01355464 -0.01079840 0.00636467 -0.00366407 +C 3.29587367 5.13365420 5.75130689 -0.00393896 -0.00071093 -0.00099912 -0.02315275 0.00764286 -0.01065960 0.00026711 0.00064348 -0.00200811 +H 5.48132687 4.92371738 5.60111998 -0.00484379 -0.01557593 0.00931731 -0.08381704 -0.21164867 -0.00242138 -0.02443770 -0.01777286 -0.00750006 +C 7.52848231 6.83855106 5.75623803 -0.00964281 0.00010569 -0.00151314 -0.05944864 0.01111082 0.02045949 -0.00402152 0.00152019 0.00662182 +H 6.40596675 8.34018153 6.22745843 -0.02934654 0.00322630 -0.01476006 -0.12185510 0.05937746 -0.02406944 0.00214786 0.00452055 0.00544872 +O 7.77705991 5.75647598 5.30931742 -0.00952648 -0.00103061 -0.00040599 -0.06817772 -0.02105756 -0.01247956 -0.01040359 -0.00372875 -0.00250901 +C 8.57441041 7.68271260 6.39092827 -0.00111666 -0.00001438 0.00305354 0.01266759 0.00349266 0.00221256 0.00175310 0.00312428 -0.00204499 +H 8.25597207 8.20874115 7.25328756 0.00643507 -0.00420615 0.00338502 0.01489823 -0.02886145 0.09967969 0.00753109 -0.01554804 -0.00127141 +H 9.45820728 7.06135071 6.64601011 -0.00046641 -0.00587687 -0.00668556 -0.02079970 -0.00483439 -0.05014289 0.00855509 -0.00332977 -0.00647767 +H 8.89213529 8.41791855 5.70173519 -0.01856767 0.00855674 -0.01692267 -0.08902369 0.02411154 -0.07341563 -0.00721524 -0.01245405 0.01132149 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.86011761 5.87128716 5.87264764 -0.00670052 -0.00017910 0.00238694 -0.03162299 -0.00508263 0.02023496 0.00094857 0.00183443 0.00269966 +C 2.17958863 6.15013964 5.87311679 0.00775870 0.00356714 0.00180774 0.05597516 0.04763609 -0.00360522 0.00318394 0.00523125 -0.00208515 +H 0.66680945 4.93098417 6.08369260 0.00914410 -0.00190649 0.02968577 0.05338810 0.07211029 0.18902629 -0.00220173 -0.01195703 0.03379735 +C 2.65576871 7.48082735 5.53888867 0.00680368 0.00123856 -0.00330915 0.02027921 0.01048643 -0.01088389 0.00256521 0.00188230 0.00042252 +H 2.98780202 4.16809751 6.38837721 0.02114124 -0.03225942 -0.01009677 0.01700937 -0.03636211 -0.10395620 -0.02363915 -0.00054408 -0.01217910 +C 4.01790415 7.80673100 5.51889618 0.00771635 -0.00048768 -0.00214773 0.04153807 0.00310797 -0.01043515 0.00157241 0.00093782 -0.00137746 +H 1.94126561 8.28306114 5.39797022 -0.00365409 0.03237167 0.00801160 0.07939915 0.00847908 0.02075815 0.00924216 -0.01508533 -0.00581176 +C 4.99312751 6.84934843 5.80998414 -0.00002842 -0.00134125 -0.00353991 0.01906399 -0.03594950 -0.01501115 0.00610247 -0.00583756 -0.00071662 +H 4.36886148 8.82074577 5.41136890 -0.02420746 0.00848717 -0.00594463 -0.15528678 0.05018165 -0.09287830 -0.00654708 -0.00167205 -0.01573032 +C 4.53215056 5.51075122 6.08255206 0.00103991 -0.00803415 0.00119469 0.03639704 -0.02114333 0.00556850 0.00766540 -0.00072479 0.00088215 +N 6.33847944 7.30362645 5.89766261 -0.00237830 0.00337107 0.00036846 -0.00791954 0.04467809 0.00843904 0.00013276 0.00685235 0.00165149 +C 3.18745347 5.20863545 6.12834796 0.00066919 -0.00433596 -0.00309931 -0.00216985 -0.06054952 -0.01777241 0.00125721 -0.00796985 -0.00309634 +H 5.24777113 4.74933185 6.33042249 -0.01065456 -0.00350199 0.00696964 0.01065693 -0.06975205 0.03790803 0.00847626 -0.00403590 -0.00065629 +C 7.61782829 6.86312864 6.05227557 -0.00183517 -0.00127710 0.00034003 -0.04262334 -0.01745791 -0.01567202 -0.00927331 -0.00025859 -0.00380094 +H 6.36236418 8.31512819 5.92065771 0.02488858 0.00943092 -0.00425149 0.08816528 0.01931109 -0.07578534 -0.00558175 0.00874561 -0.01586557 +O 7.85506409 5.66263000 6.07767000 -0.00831733 0.00383565 -0.00033381 -0.05160110 0.01486231 0.00241856 -0.00636239 -0.00087981 0.00094231 +C 8.75570531 7.87718266 5.99120655 0.00029618 0.00252534 0.00470010 -0.01451176 0.01003839 0.04106805 -0.00433257 -0.00208743 0.00593076 +H 9.76350394 7.48975500 5.87488774 -0.00764205 -0.00750539 -0.03516940 -0.08808950 -0.08112494 -0.17380798 -0.02042945 -0.00855771 -0.00739677 +H 8.54732922 8.57817303 5.14291812 -0.01033333 -0.02263000 0.01483174 -0.06228090 -0.04685334 0.04323088 -0.00954430 0.01926898 -0.00969467 +H 8.67256869 8.41931767 6.93899055 0.00557492 0.00968734 0.00655667 0.13024484 0.06854207 -0.00265709 0.03015625 0.00864460 -0.00144821 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.95044855 5.80469444 5.61432976 0.00102122 -0.00255885 0.00032086 0.01054564 -0.02074896 0.01339155 0.00149657 -0.00219904 0.00341391 +C 2.26322994 6.10718933 5.97007808 -0.00209791 0.00615193 0.00041717 -0.01746017 0.04137763 -0.01833205 -0.00180867 0.00343211 -0.00540025 +H 0.70563629 4.90867622 5.60781237 -0.00343897 -0.02223321 -0.03545564 0.09152834 0.00735575 -0.22733871 0.02757262 0.01144654 -0.03141243 +C 2.61651640 7.46453650 6.27401403 -0.00354453 0.00719237 0.00409529 -0.01260035 0.01416169 0.02291962 -0.00048455 -0.00086633 0.00157452 +H 3.07570661 4.11733232 5.42112229 0.00397486 -0.00738679 -0.00209003 -0.01080310 0.04698512 -0.01404107 -0.01444853 -0.00543017 -0.00660220 +C 3.97728343 7.80842296 6.26360798 0.00015068 -0.00217189 0.00337753 0.00351228 -0.00217100 0.01895217 0.00064028 0.00113585 0.00211879 +H 1.87648283 8.21583689 6.52232960 0.01777156 0.00471211 -0.02207907 -0.01022848 0.10259759 -0.18516792 -0.00948117 0.00882677 -0.02487338 +C 5.03083924 6.93107351 6.03912494 0.00102986 -0.01078869 0.00128375 -0.02276144 -0.08035660 0.01250085 -0.00453010 -0.00627070 0.00259051 +H 4.26004292 8.83119488 6.31824255 0.00244512 -0.00845707 -0.01362900 -0.02500704 0.04299988 0.02177635 -0.00942389 0.00218623 0.01682409 +C 4.65890836 5.57290282 5.80300474 -0.00384184 -0.00840493 0.00076235 -0.03213733 -0.05013058 -0.00382020 -0.00440937 -0.00729759 -0.00138871 +N 6.29321422 7.42605075 6.03512220 -0.00284231 0.00976156 -0.00230704 0.02386703 0.07801994 -0.02127268 0.00583813 0.00411250 -0.00441335 +C 3.29480906 5.17262993 5.69903627 -0.00486250 -0.00272784 -0.00088952 -0.02875494 -0.01103082 0.00739358 -0.00358607 0.00257657 0.00338756 +H 5.42083283 4.85557644 5.50441778 -0.01638600 0.00574798 0.01236063 -0.02296761 -0.09778689 0.10303897 0.00507561 -0.02692784 0.01421307 +C 7.52832849 6.86512486 5.82830001 0.00184963 -0.00145760 -0.00388427 -0.01334274 0.02513546 -0.01405291 -0.00332972 0.00876205 -0.00005462 +H 6.36651917 8.47624873 6.17218435 0.00379928 0.03425714 0.00392809 -0.02936650 -0.03025789 0.01125043 -0.00630758 0.02795553 0.00875836 +O 7.61985271 5.66489252 5.61366984 0.00260019 0.00386338 0.00002323 0.02846077 0.02010249 -0.00305589 0.00469289 0.00204096 -0.00086364 +C 8.77913035 7.80510598 5.92962448 0.00778203 0.00096212 0.00277042 0.04087416 -0.04156622 0.01285119 0.00248593 -0.00627756 0.00131703 +H 8.71574804 8.46368070 6.70590671 -0.00486990 0.01118587 -0.01480304 -0.01578184 0.13018225 0.03369650 0.00854559 -0.02007785 -0.01795246 +H 9.61062260 7.12459944 6.10481616 0.01520684 -0.03084165 -0.00643283 0.02798143 -0.02923236 -0.00439205 0.00106998 0.01588940 0.00919898 +H 8.99673930 8.31210576 5.03373168 0.00563086 -0.00934887 0.01027385 0.02895356 -0.00058770 -0.06497797 -0.00296753 -0.01124430 0.00330660 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.02027611 5.84729711 5.74596405 -0.00029831 -0.00062526 -0.00315106 -0.01750729 0.00364155 -0.00488373 -0.00439846 0.00138827 0.00145716 +C 2.34488847 6.01513429 5.77256461 -0.00382400 -0.00067915 0.00513237 -0.00226245 -0.01326871 0.02127855 0.00393739 -0.00286542 -0.00026533 +H 0.71019260 6.21673453 6.53034046 -0.01332695 0.01697244 0.00353241 -0.12961555 0.03047685 -0.07936626 -0.02254657 -0.00476003 -0.02065953 +C 3.03163175 5.89110170 4.56814906 -0.00150346 -0.00246196 -0.00204175 0.00303260 -0.00216576 -0.01005856 0.00199761 0.00137531 -0.00105820 +H 2.64584158 6.70797664 7.87444438 0.02091707 0.01244032 -0.01636126 -0.06512983 -0.01056658 0.00024567 -0.02508796 -0.01970875 0.00357418 +C 4.40485401 6.15248659 4.48330379 0.00593125 0.00030836 0.00137311 0.03347336 -0.01864633 0.02492469 0.00081944 -0.00544582 0.00312240 +H 2.49335955 5.74038805 3.66307368 0.01156613 0.00843708 0.00507852 -0.00712427 -0.03714883 -0.05687497 -0.00173085 -0.01209477 0.00024553 +C 5.16410538 6.41612159 5.64800516 0.00291706 -0.00616778 0.00565429 -0.01056291 -0.04059778 0.02855808 -0.00396042 -0.00426055 0.00246480 +H 4.97548474 6.01827470 3.57017114 -0.02371810 0.01774502 0.00298885 -0.14236797 0.13776372 -0.10209634 -0.00983976 0.01759627 -0.01262167 +C 4.42748652 6.57850188 6.85829836 -0.00200340 0.00552038 0.00276301 -0.00372779 0.04260609 0.00544391 0.00324843 0.00630817 0.00154286 +N 6.50449295 6.61232624 5.44054652 -0.00185620 0.00238866 -0.00005909 -0.01235444 0.01876096 0.00611167 -0.00204513 0.00250600 0.00190721 +C 3.04419029 6.36162408 6.93906786 0.00580209 0.00146883 0.00150261 0.03683860 0.02250999 -0.00135176 0.00108221 0.00506743 -0.00064083 +H 4.79421596 7.16521808 7.67062114 -0.01616446 -0.01949958 -0.00131002 0.08022412 -0.18032204 0.15728811 0.02314905 -0.03658996 0.01801772 +C 7.35069972 7.20500448 6.28679931 -0.00264245 0.00171551 0.00124745 0.00998130 0.02539035 -0.01691028 0.00580433 0.00467083 -0.00763605 +H 6.83174961 6.44115815 4.50867490 -0.02048928 -0.00853112 -0.01596362 -0.07780478 -0.04690931 0.00985500 0.00384989 -0.00355147 0.01384097 +O 7.06414658 7.68928740 7.39277046 -0.00881698 -0.00641044 -0.00724108 -0.05596243 -0.04625593 -0.04401466 -0.00672637 -0.00598480 -0.00417120 +C 8.72685370 7.49212607 5.66644863 0.01290470 0.00422083 0.00100125 0.06443264 0.02800935 -0.00122152 0.00502567 0.00471608 0.00303619 +H 9.07074187 8.45907314 5.94572604 0.01950337 -0.00373494 0.01485777 0.16754485 -0.01068251 0.15375698 0.01852997 -0.01956961 0.01678965 +H 9.49346604 6.73213376 5.88094561 -0.00414612 -0.00423027 -0.01969049 -0.01498469 -0.06176656 -0.08637696 0.00068360 -0.01307396 -0.00647739 +H 8.63991898 7.57040738 4.54442773 -0.01316936 0.01211046 -0.00555244 -0.03635686 0.07248341 0.09107169 0.00404279 0.01590005 -0.00287692 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.01080631 5.66283838 5.79463102 -0.00233062 -0.00496943 0.00217940 -0.01114157 -0.02582085 0.00954816 -0.00067295 -0.00194858 0.00216339 +C 2.30345246 6.13100006 5.75881744 -0.00596854 -0.00249175 -0.00052291 -0.00724597 -0.04445408 0.00140355 0.00468738 -0.00920008 -0.00086776 +H 0.54570804 5.66017440 6.64031433 0.02955912 0.03323764 -0.00356797 0.16771053 0.22323072 0.06613155 0.01458154 0.02252298 0.00456419 +C 2.98109826 6.23077690 4.51687976 -0.00064665 -0.00012603 -0.00991891 -0.02696154 0.00728718 -0.04304834 -0.00813701 0.00128069 -0.00265612 +H 2.69456631 6.11166763 7.94391921 0.00532559 -0.01219799 -0.00768537 -0.06192702 -0.15366843 0.01488419 -0.00741135 -0.02247209 -0.00934346 +C 4.31757808 6.54798278 4.42918382 0.00102365 0.00187795 -0.00274392 0.00858983 -0.00900588 -0.00685431 -0.00012393 -0.00407233 -0.00027100 +H 2.52136297 6.10802802 3.56771262 0.00204830 0.00251634 0.01058727 -0.14469706 -0.05641048 -0.03966686 -0.02226284 -0.01142038 0.00168749 +C 5.06460910 6.69196528 5.61495525 -0.00343520 0.00751051 -0.00326436 -0.02812434 0.04098308 -0.01055087 -0.00182346 0.00414321 0.00020794 +H 4.79326370 6.42288649 3.46032004 0.00160813 -0.01921648 0.00872368 0.03977528 0.03368741 0.00238710 0.00833193 0.02679414 -0.00723265 +C 4.46510126 6.49021861 6.90066085 0.00251534 0.00037991 0.00177757 -0.00493126 0.01880169 -0.02194719 -0.00477048 0.00470017 -0.00712443 +N 6.37134599 6.96273546 5.38743980 -0.00020720 -0.00268360 0.00120033 0.02892200 -0.00734461 0.00235564 0.00618156 0.00090123 0.00026958 +C 3.09869337 6.13377135 6.95978462 0.00057319 0.00154406 0.00457350 -0.00432470 0.03260244 0.00473175 -0.00340330 0.00619397 -0.00201465 +H 4.98935690 6.81958761 7.82279368 -0.01782473 -0.00156962 -0.01756562 -0.01799681 -0.12279285 0.01689087 0.01827499 -0.02871570 0.02209966 +C 7.42243957 7.11937189 6.20978132 -0.00006339 0.01005760 0.00583675 -0.02438450 0.06014540 0.06346709 -0.00427414 0.00676154 0.00845696 +H 6.62077752 7.01795663 4.40945616 -0.00917167 -0.00357297 0.00742871 -0.01397192 0.01227440 -0.01331735 0.00984999 0.00629177 -0.00644614 +O 7.24164872 6.97128107 7.41812980 0.00287996 -0.00314221 0.00367954 0.03091407 -0.01903207 0.03079027 0.00539440 -0.00214355 0.00617633 +C 8.78101551 7.55357149 5.75217585 0.00508794 -0.00058662 -0.00392043 0.02868348 -0.01284242 -0.04092313 0.00122066 -0.00095135 -0.00550658 +H 9.35349056 6.69385546 5.31275770 -0.01783930 -0.00847463 0.00237809 -0.14289136 -0.05640504 -0.03584321 -0.01308785 -0.02237430 -0.02335593 +H 8.64662488 8.31519181 5.02516289 -0.00356170 -0.00095594 -0.00319272 0.04085143 0.02885139 -0.07080353 0.02076445 -0.00444388 -0.00024535 +H 9.39701598 7.98431190 6.52720444 0.01490264 -0.04018279 -0.00927667 0.11685694 -0.20912352 0.02647738 0.00821124 -0.01927861 -0.00135896 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 1.00691977 5.74696680 5.93048727 -0.00586552 0.00337567 -0.00262125 -0.03912533 0.01975665 -0.02176830 -0.00530393 0.00136007 -0.00422564 +C 2.31395521 6.11446664 5.91286177 0.00103203 0.00316484 0.00966255 -0.01630292 -0.01462860 0.03548693 -0.00452356 -0.00871723 -0.00127780 +H 0.79446824 5.09742138 5.32963811 -0.01012110 -0.00868558 0.00251909 -0.03967219 -0.05341331 0.03449998 0.00439712 0.00873792 0.02008492 +C 2.57504469 7.32812126 6.54048957 0.00110926 -0.00464097 -0.00178694 0.02392491 -0.02920704 -0.00977019 0.00315231 -0.00109565 0.00108153 +H 3.04418343 4.47634000 4.65634169 0.04437460 0.01771068 0.00340512 0.15197283 -0.07626385 -0.04810280 -0.00198267 -0.00521165 0.00322508 +C 3.93427106 7.64295334 6.56167327 -0.00449617 -0.00630268 -0.00381680 0.00008678 0.01105011 0.00267227 0.00661490 0.00966568 0.00429041 +H 1.85846864 7.95255173 6.95178525 -0.00360177 0.01571911 0.00527715 0.00259666 -0.00270543 0.02816311 0.02076433 -0.03095128 -0.00898428 +C 4.99701266 6.93242501 5.98687145 0.00278525 0.00047765 0.00337309 0.01178230 -0.01089590 0.00705507 -0.00156833 -0.00283250 -0.00071661 +H 4.14996876 8.49925937 7.07539521 0.02429401 0.02694383 0.00578735 0.07904747 0.05255594 -0.04674026 -0.01175688 -0.02507058 -0.02395950 +C 4.68487466 5.78124748 5.23544824 0.00242994 -0.00194127 -0.00102251 -0.01613509 -0.01381309 0.00923037 -0.00348116 -0.00098860 0.00351860 +N 6.29388692 7.47583196 6.03870195 -0.00368141 0.00246907 0.00248943 -0.02228101 0.02643783 0.01848152 -0.00009708 0.00522947 0.00225549 +C 3.29648730 5.34371277 5.21850762 -0.00083160 -0.00333577 -0.00423992 0.02637182 0.01517439 -0.00806641 0.00542366 0.00410283 0.00087970 +H 5.44770288 5.20913283 4.73580030 0.00812323 0.01102162 0.01141274 0.04255364 0.02464936 0.01227593 -0.00830819 -0.00180683 -0.00391316 +C 7.48568741 6.86684539 5.87444156 -0.00507474 0.00857083 -0.00617822 -0.00210792 0.02360943 -0.02984289 0.00339310 -0.00490334 -0.00162249 +H 6.27047886 8.41606220 6.32453467 0.01139431 0.01276267 0.00819671 0.11496529 0.04479552 -0.00857761 0.00991612 -0.01017581 -0.01189708 +O 7.61224675 5.64499776 5.89335276 0.00348644 -0.00878433 0.00214268 0.01998124 -0.03565422 0.00797331 0.00185746 0.00087680 -0.00008542 +C 8.80073436 7.74273816 5.77258759 0.00152132 0.00212821 -0.00077261 -0.00864602 0.00431978 -0.01381511 -0.00420485 0.00395914 -0.00202917 +H 8.71772449 8.52958049 6.43175708 0.01058485 -0.01176582 0.00314026 0.05854088 0.06574746 0.09613085 0.00623987 -0.00989413 -0.01001908 +H 9.77480797 7.25263542 5.97708002 0.00420728 0.00502254 -0.00385343 -0.08268976 -0.06492252 0.01157814 -0.01616449 -0.02783837 0.00736931 +H 8.90669592 8.10907261 4.78646025 0.01782900 0.00519894 -0.00590884 0.06006463 0.06598566 -0.03308521 -0.00432170 0.00368696 0.01603449 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.94470360 5.81753654 5.70237203 0.00287303 0.00120783 0.00529911 0.01998973 0.00871511 0.02024469 0.00270988 0.00118042 0.00110908 +C 2.25366191 6.11102523 5.90874030 0.00175770 -0.00350805 -0.00303597 0.02267436 -0.02086644 0.00725568 0.00484223 -0.00194797 0.00497251 +H 0.84856405 5.69056955 4.79399494 0.00539542 0.00357474 -0.01499595 -0.03955227 0.00149596 0.03964647 -0.01642031 -0.00437832 0.01562276 +C 2.67053243 6.76521317 7.07050785 -0.00278703 0.00664027 -0.00369239 -0.01549135 0.04333861 -0.00751366 -0.00053236 0.00459622 0.00187830 +H 2.98985766 5.22065701 4.13377907 0.00632834 0.01811267 -0.00600358 -0.00895786 0.03608732 -0.08637979 -0.00068949 -0.00012555 0.00582921 +C 4.04030364 7.06113493 7.31676131 -0.00423599 -0.00176179 0.00179128 0.00203800 0.00231560 0.00450740 0.00323949 0.00234931 -0.00106363 +H 1.92397136 7.07191941 7.77958873 0.00020288 -0.01508287 0.01722641 0.01882586 -0.07928954 0.07108325 0.00380607 -0.00309538 -0.00177115 +C 5.04663939 6.72057178 6.30366350 -0.00355626 0.00311390 -0.00006577 -0.01929154 0.03604001 0.02967150 -0.00253091 0.00442157 0.00449678 +H 4.29513415 7.61238545 8.19497545 0.02547336 0.02409814 0.03537986 0.05266312 -0.04077940 -0.03901822 -0.00830244 -0.02510405 -0.02672842 +C 4.60501312 5.97482920 5.20249103 -0.00316818 -0.00201679 -0.00022371 -0.00002145 0.01471743 -0.02076315 0.00343511 0.00744600 -0.00220626 +N 6.40903555 7.23925664 6.45452869 -0.00592303 -0.00238755 -0.00030756 -0.03833086 -0.02835202 -0.01699138 -0.00388607 -0.00494959 -0.00426927 +C 3.24125888 5.68943752 5.03316599 0.00533355 -0.00226601 0.00236078 0.02944535 -0.02211401 -0.01111858 0.00107672 -0.00449442 -0.00741832 +H 5.20801210 5.86831881 4.31940199 0.01788936 0.02102080 -0.02896034 0.02505934 0.00939263 0.04601452 -0.00169646 -0.01952777 0.02420755 +C 7.49182257 7.06831637 5.63516855 0.00442590 -0.00189984 -0.00648764 -0.01179436 -0.02747965 -0.02549477 -0.00801729 -0.00532265 0.00091436 +H 6.67026872 7.73803737 7.29061941 -0.00817387 0.00150680 0.00019759 -0.13859466 0.00949342 -0.01585420 -0.02357604 0.00082028 -0.00647522 +O 7.50390201 6.39807039 4.62796788 0.00433865 0.00009579 -0.00050028 0.01836138 -0.01123773 -0.02135008 0.00106630 -0.00351867 -0.00596411 +C 8.81107289 7.62667154 5.93851347 -0.00476093 -0.00155797 0.00232139 -0.02035488 0.00235856 0.03634737 -0.00051885 0.00520210 0.00548891 +H 9.49405328 7.27349315 5.18040641 0.01006383 0.01499265 -0.00342355 0.09776548 0.16930066 0.06859255 0.00265003 0.03266235 0.02167679 +H 8.68592708 8.67575051 5.92086787 -0.02013362 -0.01716416 0.02431355 -0.07828357 0.06222472 0.11083256 0.00132376 0.00330708 0.01067751 +H 9.06542544 7.37079048 7.00544823 0.01410079 0.00022797 -0.01183612 0.14747255 -0.07124540 -0.09487866 0.02512307 -0.02463611 0.00918886 +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:velocities:R:3:displacements:R:3:update_velocities:R:3 timestep=7.0 pbc="T T T" +O 0.98444275 5.83188463 5.79099050 0.00693500 0.00047587 -0.00052743 0.02026583 -0.00052093 -0.00587945 -0.00081366 -0.00094272 -0.00118518 +C 2.28690654 6.12693930 5.86923235 -0.00376341 0.00204607 -0.00452751 0.00316202 0.05150498 -0.02819658 0.00581133 0.01053007 -0.00375241 +H 0.39598626 6.53476890 5.90453392 -0.01284127 0.00897050 -0.00437052 0.01982625 -0.01184768 -0.03428395 0.01012800 -0.00425592 -0.00444772 +C 2.69183985 7.42338251 6.21495405 0.00336064 0.00622077 0.00548412 -0.01510742 0.03842296 0.04643892 -0.00910492 0.00323260 0.00669469 +H 2.86554457 4.21141396 5.25667189 0.01772262 -0.00540497 0.00774238 0.19008277 -0.01196864 0.06683703 0.01763894 -0.02408405 0.00227875 +C 4.02339721 7.76227394 6.42712163 -0.01082362 0.00192580 0.00040808 -0.02998495 -0.01561932 -0.00662304 0.00317359 -0.00175067 0.00084138 +H 2.00288531 8.20901402 6.47934810 -0.00083307 -0.00407397 0.01423016 -0.07945966 -0.03494736 0.08656419 -0.01610375 -0.00292710 0.01182356 +C 5.03383939 6.80149116 6.05797757 -0.00335153 -0.00023731 -0.00378962 -0.02689257 0.01518466 -0.00268572 -0.00143062 0.00315724 0.00218167 +H 4.26224314 8.68405734 6.84118516 -0.02075800 -0.01875488 0.03229138 -0.08023560 -0.01076920 0.17360781 -0.00554955 -0.01834624 -0.00663740 +C 4.62471970 5.52008677 5.62716067 0.00993624 -0.00166842 0.00159601 0.05097623 -0.01759118 0.01063105 0.00199128 -0.00195001 0.00186937 +N 6.32897512 7.17196369 6.35410360 0.00575746 -0.00075418 -0.00616409 0.02059695 0.00468886 -0.03955112 -0.00269666 0.00539282 -0.00189495 +C 3.25753939 5.21112738 5.56988087 0.00267715 0.00269080 0.00095034 0.02661345 -0.00759180 -0.00428350 0.00659412 -0.00109181 -0.00103798 +H 5.32322470 4.70613796 5.39642748 -0.00414851 -0.01308731 0.01300959 0.05044154 -0.01305562 0.08136854 0.02536816 0.00330812 0.00710200 +C 7.51352409 6.83855008 5.84015574 -0.00725036 -0.00553613 0.00218189 -0.01290482 -0.02050933 0.00610635 0.00478673 -0.00098576 -0.00144008 +H 6.44487409 7.98372982 6.84483143 0.00347975 -0.01666826 0.00527424 -0.02159063 -0.00140661 0.11181631 -0.00913670 -0.02476655 -0.00604573 +O 7.65912216 5.84879381 5.13224986 0.00132548 -0.00135701 0.00103587 0.01598127 -0.01096918 0.00627253 0.00304810 -0.00194689 0.00076890 +C 8.65793747 7.93016308 6.09247283 -0.00486496 0.00177771 -0.00002230 -0.05405502 -0.03301982 -0.02107415 -0.01241127 -0.00972320 -0.00293915 +H 9.47130831 7.54339201 6.74579982 0.00133967 0.01071403 -0.00481455 -0.06907949 0.07812387 -0.00350490 -0.00843782 0.00250423 0.00933379 +H 9.16582143 8.15640950 5.10261162 -0.00456806 -0.00221629 -0.01282019 -0.14195953 0.01921101 0.04944225 -0.01687644 0.01381742 -0.00791598 +H 8.14768957 8.80228579 6.51042067 -0.02273789 -0.02103610 -0.00013733 -0.03614544 -0.02458820 0.00777429 0.01200340 0.00877454 -0.00135862