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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] | 152.39241 |
3 |
[
[
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[
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3 |
[
[
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[
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] | 52.356976 |
3 |
[
[
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] | 59.789631 |
3 |
[
[
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3 |
[
[
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[
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[
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3 |
[
[
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3 |
[
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3 |
[
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3 |
[
[
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[
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] | 339.671722 |
3 |
[
[
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] | 170.702866 |
3 |
[
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[
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] | 141.365402 |
3 |
[
[
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] | 198.955231 |
3 |
[
[
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] | 157.195908 |
3 |
[
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[
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] | 232.528244 |
3 |
[
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3 |
[
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[
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] | 107.673637 |
3 |
[
[
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] | 141.139191 |
3 |
[
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[
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] | 195.210358 |
3 |
[
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] | 252.335083 |
3 |
[
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] | 101.953209 |
3 |
[
[
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[
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] | 380.387482 |
3 |
[
[
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] | 126.019875 |
3 |
[
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] | 262.758667 |
3 |
[
[
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[
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] | 187.985062 |
3 |
[
[
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] | 156.613846 |
3 |
[
[
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[
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] | 5.453545 |
3 |
[
[
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[
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] | 56.12859 |
3 |
[
[
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[
0.11602242290973663,
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] | 341.446991 |
3 |
[
[
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[
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] | 190.823288 |
3 |
[
[
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[
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[
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] | 160.73233 |
3 |
[
[
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[
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[
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]
] | 323.645294 |
3 |
[
[
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[
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[
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] | 72.197357 |
3 |
[
[
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[
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[
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] | 99.444191 |
3 |
[
[
0.05917763337492943,
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[
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[
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] | 126.617538 |
3 |
[
[
0.6301783919334412,
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[
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1.010311245918274
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[
-1.2670621871948242,
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]
] | 348.276917 |
3 |
[
[
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[
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[
-2.1712849140167236,
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]
] | 186.159088 |
3 |
[
[
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[
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],
[
-0.28645819425582886,
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]
] | 252.099106 |
3 |
[
[
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[
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[
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] | 199.022354 |
3 |
[
[
0.10272692143917084,
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[
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[
-1.359514832496643,
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]
] | 134.76825 |
3 |
[
[
0.168858602643013,
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[
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[
-1.156959891319275,
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]
] | 83.270073 |
3 |
[
[
0.25808078050613403,
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[
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],
[
-1.0429260730743408,
0.6593760848045349,
2.921809196472168
]
] | 36.134712 |
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