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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] | 135.762131 |
3 |
[
[
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[
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3 |
[
[
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[
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] | 34.517841 |
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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] | 25.867222 |
3 |
[
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3 |
[
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[
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] | 116.158241 |
3 |
[
[
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] | 19.720402 |
3 |
[
[
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[
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3 |
[
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[
0.1527310311794281,
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] | 78.067322 |
3 |
[
[
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] | 186.34523 |
3 |
[
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] | 117.021332 |
3 |
[
[
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[
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] | 50.45034 |
3 |
[
[
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3 |
[
[
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] | 37.608322 |
3 |
[
[
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] | 123.686172 |
3 |
[
[
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] | 140.305344 |
3 |
[
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[
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] | 10.48241 |
3 |
[
[
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] | 129.191864 |
3 |
[
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] | 158.113693 |
3 |
[
[
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[
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] | 14.097013 |
3 |
[
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3 |
[
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] | 58.101753 |
3 |
[
[
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[
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] | 259.550262 |
3 |
[
[
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[
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] | 55.674278 |
3 |
[
[
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[
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] | 28.608528 |
3 |
[
[
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[
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] | 71.392426 |
3 |
[
[
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[
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] | 229.504105 |
3 |
[
[
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[
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[
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] | 87.055557 |
3 |
[
[
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[
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[
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] | 307.126251 |
3 |
[
[
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[
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[
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] | 244.123138 |
3 |
[
[
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[
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[
-1.1385021209716797,
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]
] | 144.511169 |
3 |
[
[
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[
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],
[
-1.1723005771636963,
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] | 265.340637 |
3 |
[
[
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[
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[
0.12351197004318237,
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]
] | 110.046417 |
3 |
[
[
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[
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[
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]
] | 310.549042 |
3 |
[
[
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[
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[
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] | 228.228729 |
3 |
[
[
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[
0.21354950964450836,
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] | 247.672455 |
3 |
[
[
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[
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],
[
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1.991733431816101,
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]
] | 287.833801 |
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