Search is not available for this dataset
orig_idx int64 0 84.9k | positions listlengths 1 444 | atomic_numbers listlengths 1 444 | natoms int64 1 444 | tags listlengths 1 444 | fixed listlengths 1 444 | cell listlengths 1 1 | pbc listlengths 1 1 | y float64 0 9.72 |
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8,
8,
9,
9,
9,
9,
9,
9,
9,
9
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2,
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2,
2,
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2,
2,
2,
2,
2,
2,
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2,
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2,
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false,
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false,
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false,
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false,
false,
false,
false,
false,
false,
false,
false,
false,
false,
false,
false,
false,
false,
false
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[
[
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0
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[
0,
9.00547981262207,
0
],
[
0,
0,
5.714651107788086
]
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] | [
[
true,
true,
true
]
] | 2.0703 |
11,147 | [
[
0.2533026933670044,
7.582269668579102,
4.647639274597168
],
[
2.301730155944824,
2.217860460281372,
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[
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4.854621410369873,
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27,
50,
50,
50,
15,
15,
15,
15,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
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8,
8,
8,
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8
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2,
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2,
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[
0,
0,
6.196852684020996
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] | [
[
true,
true,
true
]
] | 0.7442 |
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