Search is not available for this dataset
orig_idx int64 0 106k | 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 -4.61 2.5 |
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[
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],
[
1.7710896730422974,
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[
0,
0,
3.5482301712036133
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[
0,
0,
0
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] | [
27,
27,
27,
29
] | 4 | [
2,
2,
2,
2
] | [
false,
false,
false,
false
] | [
[
[
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],
[
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3.5482301712036133
],
[
1.7710968255996704,
1.7710968255996704,
-3.5482301712036133
]
]
] | [
[
true,
true,
true
]
] | 0.123675 |
93,293 | [
[
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[
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[
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3.516913414001465
],
[
-1.6501164436340332,
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3,
3,
3,
3,
26,
26,
14,
14,
14,
14,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 22 | [
2,
2,
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2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
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2,
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2,
2
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false,
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false,
false,
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false,
false,
false,
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false,
false,
false,
false,
false
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[
[
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[
0.0014154299860820174,
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3.7346036434173584
]
]
] | [
[
true,
true,
true
]
] | -2.791472 |
74,804 | [
[
0.7718763947486877,
1.836142897605896,
4.261955261230469
],
[
2.5850629806518555,
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[
2.5850629806518555,
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1.4048455953598022
],
[
7.34327507019043,
3.686037302017212,
4.08988094329834
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[
... | [
19,
19,
19,
19,
19,
19,
32,
32,
15,
15,
6,
6,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 26 | [
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
] | [
[
[
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[
0,
7.344571590423584,
0
],
[
-0.0764259323477745,
0,
5.59792947769165
]
]
] | [
[
true,
true,
true
]
] | -2.231221 |
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