Search is not available for this dataset
orig_idx int64 0 8.79k | positions listlengths 1 160 | atomic_numbers listlengths 1 160 | natoms int64 1 160 | tags listlengths 1 160 | fixed listlengths 1 160 | cell listlengths 1 1 | pbc listlengths 1 1 | y float64 0 2.76 |
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[
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5,
5,
28,
28,
41,
41
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2,
2,
2,
2,
2,
2
] | [
false,
false,
false,
false,
false,
false
] | [
[
[
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0
],
[
0,
3.2081127166748047,
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],
[
0,
-0.02613455057144165,
6.883944988250732
]
]
] | [
[
true,
true,
true
]
] | 2.378398 |
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