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-1114365 | [
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mvc-4357 | [
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mp-1067 | [
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mp-10785 | [
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mp-567573 | [
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mp-1039011 | [
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mp-1025071 | [
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mp-1205638 | [
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mp-13435 | [
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mp-22601 | [
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mp-865039 | [
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mp-768539 | [
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mp-550714 | [
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mp-1642439 | [
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mp-1112690 | [
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mp-978569 | [
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mp-11178 | [
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mp-1075 | [
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mp-770543 | [
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mp-1184046 | [
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mp-1173492 | [
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mp-549970 | [
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mp-867475 | [
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mp-1184829 | [
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mp-1237566 | [
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0.89099918,
2.50308451,
4.48103585
],
[
1.6795706,
1.1778965,
... | [
3,
3,
44,
44,
45,
45,
8,
8,
8,
8,
8,
8,
8,
8
] | train | 2,096 | mp-1222456 | 3,528 | train | 13,172 |
mp-1225129 | [
[
4.1399159985655825,
0,
2.5349674381911296e-16
],
[
-2.069957999282791,
3.5852719987085337,
-6.657492092353321e-16
],
[
0,
0,
4.30721
]
] | [
[
0,
2.39018133,
0
],
[
2.069958,
1.19509067,
2.153605
],
[
0,
0,
2.153605
]
] | [
63,
15,
78
] | train | 2,097 | mp-1225129 | 3,531 | train | 13,175 |
mp-1095280 | [
[
3.957934977326856,
0,
-0.000508563032178885
],
[
0.0004200056986087505,
6.478534995458589,
-0.00010958689477656327
],
[
0,
0,
9.74139302
]
] | [
[
1.97919609,
0.16842247,
4.88303497
],
[
0.00049616,
6.31009309,
0.01261551
],
[
1.97895995,
2.38678947,
8.10832402
],
[
0.00060961,
4.09174553,
3.23777495
],
[
1.9792407,
2.38279221,
1.62692717
],
[
3.95741288,
4.09580109,
... | [
38,
38,
26,
26,
26,
26,
16,
16,
16,
16,
8,
8
] | train | 2,098 | mp-1095280 | 3,534 | train | 13,178 |
mp-550454 | [
[
4.094208238063574,
0,
-1.2887172105751712
],
[
-2.619457438680362,
5.871107184750545,
-1.179069694958158
],
[
0,
0,
7.142465407356369
]
] | [
[
0.97904403,
4.71837987,
3.10162279
],
[
0.49571561,
1.15276254,
1.57309805
],
[
1.72194523,
1.7773955,
5.46397731
],
[
-0.24720623,
4.09366471,
-0.78930049
],
[
2.2472656,
3.81612573,
-0.01207791
],
[
-0.77251561,
2.05501081,
... | [
56,
56,
25,
25,
33,
33,
8
] | train | 2,099 | mp-550454 | 3,535 | train | 13,179 |
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