ids stringlengths 5 10 | cell listlengths 3 3 | pos listlengths 1 20 | atomic_numbers listlengths 1 20 | new_split stringclasses 1
value | new_index int64 0 27.1k | mpid stringlengths 5 10 | source_global_index int64 0 45.2k | source_split stringclasses 3
values | source_lmdb_key int64 0 27.1k |
|---|---|---|---|---|---|---|---|---|---|
mp-27760 | [
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mp-1218203 | [
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mp-867799 | [
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mp-1226019 | [
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mp-18974 | [
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mp-675625 | [
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mp-1105479 | [
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mp-3010 | [
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mp-1027127 | [
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mp-571146 | [
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1.84... | [
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mp-20719 | [
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mp-84 | [
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mp-9781 | [
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mp-1187699 | [
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mp-1101362 | [
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mp-998552 | [
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mp-977544 | [
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mp-18649 | [
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mp-755073 | [
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mp-1189512 | [
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mp-641367 | [
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mp-1216660 | [
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mp-997088 | [
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mp-977440 | [
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mp-1205895 | [
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | train | 3,397 | mp-1273989 | 5,620 | train | 15,055 |
mp-1189171 | [
[
5.997187,
0,
3.672217931719059e-16
],
[
9.953055420161975e-16,
6.189239,
3.7898158652539825e-16
],
[
0,
0,
7.442511
]
] | [
[
5.1045417,
2.33935285,
2.41554137
],
[
2.1059482,
3.84988615,
5.02696963
],
[
2.1059482,
0.75526665,
6.13679687
],
[
5.1045417,
5.43397235,
1.30571413
],
[
4.20599516,
2.91767535,
7.05838068
],
[
1.20740166,
3.27156365,
0.... | [
30,
30,
30,
30,
30,
30,
30,
30,
7,
7,
7,
7,
17,
17,
17,
17
] | train | 3,398 | mp-1189171 | 5,621 | train | 15,056 |
mp-1104966 | [
[
6.920266,
0,
4.2374408030741285e-16
],
[
1.1128636496387138e-15,
6.920266,
4.2374408030741285e-16
],
[
0,
0,
9.573879
]
] | [
[
3.460133,
3.460133,
0
],
[
0,
0,
0
],
[
3.460133,
3.460133,
4.7869395
],
[
0,
0,
4.7869395
],
[
2.46226524,
5.92239824,
2.93252701
],
[
5.92239824,
4.45800076,
2.93252701
],
[
0.99786776,
2.46226524,
2.9325... | [
55,
55,
64,
64,
52,
52,
52,
52,
52,
52,
52,
52
] | train | 3,399 | mp-1104966 | 5,623 | train | 15,058 |
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