diff --git "a/example/test.extxyz" "b/example/test.extxyz" new file mode 100644--- /dev/null +++ "b/example/test.extxyz" @@ -0,0 +1,2200 @@ +20 +Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species: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 0.96981117 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 1.10133865 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 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 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 0.96349578 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 0.97965227 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 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 1.11735402 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 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 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 0.97993964 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 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 0.99751247 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 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 1.04843824 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 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 1.00087088 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 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 0.92316372 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 1.02837392 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 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 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 0.93587038 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 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 1.07950655 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 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 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 0.91076211 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 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 1.01884448 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 0.99921695 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 0.97349693 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 1.06693995 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 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 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 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 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 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 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 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 0.99624739 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 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 0.92931595 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 1.02814100 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 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 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 0.99317717 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 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 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 0.97750160 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 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 0.96809921 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 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 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 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 0.97429780 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 0.98393360 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 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 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 1.00502217 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 0.99019605 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 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 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 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 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 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 0.94356711 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 0.92387090 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 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 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 1.05273810 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 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 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 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 1.02946860 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 1.04358281 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 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 0.96731291 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 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 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 1.03087996 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 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 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 0.92511176 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 1.02758428 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 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 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 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 0.93393644 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 1.06825846 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 0.92367444 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 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 0.85574348 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 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 1.03910003 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 1.01722973 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 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 1.04414908 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 0.97116964 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