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 |
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mp-774250 | [
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mp-17833 | [
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mp-8235 | [
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mp-1225582 | [
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mp-864799 | [
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mp-20384 | [
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mp-1101785 | [
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mp-997000 | [
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mp-1223522 | [
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mp-540685 | [
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mp-1183124 | [
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mp-10891 | [
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mp-1079697 | [
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mp-549058 | [
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],
[
2.66152084,
1.88197943,
4.60988932
],
[
0,
0,
0
]
] | [
72,
72,
29,
43
] | train | 198 | mp-1184609 | 337 | train | 1,030 |
mp-1216789 | [
[
2.958389112099881,
0,
0.5599974920114994
],
[
1.309842287030875,
5.752962775288706,
1.1746633041911718
],
[
0,
0,
8.094378509702441
]
] | [
[
1.64783636,
2.86934771,
7.483466
],
[
2.62039504,
2.88361506,
2.34557331
],
[
3.61331026,
2.87648139,
5.1945184
],
[
0,
0,
0
],
[
2.29160629,
5.73832724,
4.08251871
],
[
1.97662511,
0.01463554,
5.7465206
],
[
0.975... | [
23,
23,
26,
29,
29,
29,
8,
8,
8,
8,
8,
8
] | train | 199 | mp-1216789 | 338 | train | 10,300 |
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