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-8377 | [
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mp-1215934 | [
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mp-13270 | [
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mp-761166 | [
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mp-13954 | [
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mp-1216699 | [
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mp-7896 | [
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mp-1070103 | [
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mp-1248625 | [
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mp-1217380 | [
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mp-619064 | [
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mp-1079595 | [
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mp-675668 | [
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mp-1186177 | [
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mp-1217473 | [
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mp-756282 | [
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mp-24074 | [
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mp-862876 | [
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mp-19967 | [
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mp-1101375 | [
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mp-867234 | [
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mp-15339 | [
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mp-1223995 | [
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mp-976707 | [
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14.118225
]
] | [
[
0,
2.36580067,
8.71917575
],
[
2.048843,
1.18290033,
1.66006325
],
[
2.048843,
1.18290033,
5.39904925
],
[
0,
2.36580067,
12.45816175
],
[
0,
0,
3.52955625
],
[
0,
0,
10.58866875
],
[
2.048843,
1.18290033,
... | [
67,
67,
67,
67,
28,
28,
33,
33,
33,
33
] | train | 1,198 | mp-8787 | 2,055 | train | 11,847 |
mp-7074 | [
[
5.284684662845687,
0,
1.2095545834075594
],
[
1.414904548161522,
6.602002579669949,
0.5963168261013477
],
[
0,
0,
6.77819937
]
] | [
[
4.38834708,
1.98229089,
5.82921798
],
[
2.31124213,
4.61971169,
2.7548528
],
[
5.22904657,
5.90502917,
2.1561041
],
[
1.47054264,
0.69697341,
6.42796668
],
[
5.06241137,
5.25691057,
5.59783604
],
[
2.1747925,
4.11244022,
6... | [
11,
11,
21,
21,
14,
14,
14,
14,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | train | 1,199 | mp-7074 | 2,056 | train | 11,848 |
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