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 9.33 |
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82,
82,
82,
82,
82,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 40 | [
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2
] | [
false,
false,
false,
false,
false,
false,
false,
false,
false,
false,
false,
false,
false,
false,
false,
false,
false,
false,
false,
false,
false,
false,
false,
false,
false,
false,
false,
false,
false,
false,
false,
false,
false,
false,
false,
f... | [
[
[
0,
0,
-7.443549156188965
],
[
-10.226880073547363,
0.0001504700048826635,
0
],
[
-5.1135711669921875,
8.856878280639648,
0
]
]
] | [
[
true,
true,
true
]
] | 3.4363 |
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