Search is not available for this dataset
num_atoms
int64 3
3
| positions
listlengths 3
3
| energy_eV
float64 -4.72
518
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[
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] | 99.102005 |
3 |
[
[
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[
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[
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] | 104.545143 |
3 |
[
[
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[
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[
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] | 320.737732 |
3 |
[
[
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[
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] | 112.508919 |
3 |
[
[
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[
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[
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] | 64.075218 |
3 |
[
[
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[
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] | 100.706375 |
3 |
[
[
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] | 327.692841 |
3 |
[
[
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[
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] | 196.970673 |
3 |
[
[
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[
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] | 6.46095 |
3 |
[
[
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[
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] | 128.048508 |
3 |
[
[
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[
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] | 71.838425 |
3 |
[
[
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[
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] | 223.005402 |
3 |
[
[
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[
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] | 242.962051 |
3 |
[
[
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[
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] | 173.371475 |
3 |
[
[
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[
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] | 276.668243 |
3 |
[
[
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[
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] | 133.045029 |
3 |
[
[
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[
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] | 209.113495 |
3 |
[
[
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[
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] | 196.354889 |
3 |
[
[
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[
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] | 123.437958 |
3 |
[
[
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[
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[
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] | 144.041382 |
3 |
[
[
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[
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] | 106.684433 |
3 |
[
[
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[
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] | 388.616272 |
3 |
[
[
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[
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] | 157.878448 |
3 |
[
[
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[
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[
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] | 102.919426 |
3 |
[
[
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[
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] | 89.094894 |
3 |
[
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[
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] | 196.456238 |
3 |
[
[
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[
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] | 288.816193 |
3 |
[
[
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[
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] | 161.721985 |
3 |
[
[
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] | 160.957062 |
3 |
[
[
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[
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] | 78.63662 |
3 |
[
[
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[
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[
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] | 347.703888 |
3 |
[
[
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[
0.221135213971138,
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[
0.08486560732126236,
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] | 221.463623 |
3 |
[
[
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[
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[
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] | 232.690826 |
3 |
[
[
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[
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[
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] | 218.607117 |
3 |
[
[
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[
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[
-0.7540513277053833,
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]
] | 16.651524 |
3 |
[
[
0.2120911329984665,
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[
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[
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]
] | 82.149734 |
3 |
[
[
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[
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[
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]
] | 162.130936 |
3 |
[
[
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[
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[
-1.8005088567733765,
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]
] | 123.0718 |
3 |
[
[
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[
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[
-1.7087512016296387,
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]
] | 80.420334 |
3 |
[
[
0.009960774332284927,
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[
0.013087764382362366,
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[
-0.3205394744873047,
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]
] | 240.139923 |
3 |
[
[
0.00445537781342864,
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[
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],
[
-1.8598283529281616,
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] | 146.401855 |
3 |
[
[
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[
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[
0.04916185140609741,
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]
] | 335.870392 |
3 |
[
[
0.13881464302539825,
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[
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1.2505311965942383
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[
-1.255387544631958,
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1.3025293350219727
]
] | 128.268784 |
3 |
[
[
0.1532558798789978,
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[
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],
[
-1.6332751512527466,
0.4483061730861664,
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]
] | 231.325989 |
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