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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[
-2.136859893798828,
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] | 224.432098 |
3 |
[
[
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[
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[
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] | 56.167614 |
3 |
[
[
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[
0.18038228154182434,
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] | 147.0495 |
3 |
[
[
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[
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] | 72.075752 |
3 |
[
[
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[
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] | 160.481827 |
3 |
[
[
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[
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3 |
[
[
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] | 38.864445 |
3 |
[
[
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[
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] | 59.580215 |
3 |
[
[
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[
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] | 116.340256 |
3 |
[
[
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[
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] | 23.453167 |
3 |
[
[
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[
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] | 79.430092 |
3 |
[
[
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[
0.7619133591651917,
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] | 217.299118 |
3 |
[
[
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[
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] | 115.430382 |
3 |
[
[
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[
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] | 112.850342 |
3 |
[
[
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] | 177.180359 |
3 |
[
[
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[
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] | 27.021961 |
3 |
[
[
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[
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] | 273.231171 |
3 |
[
[
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] | 260.790222 |
3 |
[
[
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[
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] | 173.990128 |
3 |
[
[
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[
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[
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] | 211.1418 |
3 |
[
[
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[
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] | 64.09874 |
3 |
[
[
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[
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] | 81.010017 |
3 |
[
[
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[
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[
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] | 7.900554 |
3 |
[
[
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[
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[
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] | 158.900711 |
3 |
[
[
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[
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[
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] | 207.334976 |
3 |
[
[
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[
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] | 117.720306 |
3 |
[
[
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[
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] | 186.689743 |
3 |
[
[
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[
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] | 205.585129 |
3 |
[
[
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[
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] | 62.691658 |
3 |
[
[
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[
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[
0.09026952087879181,
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] | 238.989273 |
3 |
[
[
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[
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[
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] | 142.439743 |
3 |
[
[
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[
0.07100790739059448,
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[
0.0010528303682804108,
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] | 53.327225 |
3 |
[
[
0.3802146315574646,
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[
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[
-2.0849006175994873,
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]
] | 66.943275 |
3 |
[
[
0.2956469655036926,
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[
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[
-1.5675181150436401,
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]
] | 154.065781 |
3 |
[
[
0.2597329318523407,
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[
0.3715311586856842,
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],
[
0.17525768280029297,
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]
] | 117.921783 |
3 |
[
[
0.24088935554027557,
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[
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[
-1.3967318534851074,
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]
] | 69.456818 |
3 |
[
[
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[
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],
[
-1.9140982627868652,
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]
] | 252.276703 |
3 |
[
[
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[
-1.336864709854126,
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],
[
-1.1665993928909302,
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]
] | 106.968605 |
3 |
[
[
0.12231769412755966,
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[
-0.48245692253112793,
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],
[
-0.3218594789505005,
1.388625144958496,
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]
] | 244.787079 |
3 |
[
[
0.20438213646411896,
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[
-0.6333311200141907,
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1.1594171524047852
],
[
-1.769495964050293,
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]
] | 9.638455 |
3 |
[
[
0.1797172874212265,
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[
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1.0039875507354736,
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],
[
-1.8105461597442627,
2.3304619789123535,
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]
] | 13.785014 |
3 |
[
[
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[
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[
-1.12837815284729,
2.126232147216797,
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]
] | 49.875458 |
3 |
[
[
0.21290060877799988,
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[
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],
[
-0.5804592370986938,
1.5743731260299683,
1.0341777801513672
]
] | 196.142349 |
3 |
[
[
0.02065272070467472,
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[
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],
[
-1.4085595607757568,
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]
] | 146.368088 |
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