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-1215421 | [
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mp-4326 | [
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mp-1188700 | [
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mp-1114666 | [
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mp-865110 | [
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mp-570990 | [
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mp-1304922 | [
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mp-29866 | [
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mp-1247128 | [
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mp-1207204 | [
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mp-1178027 | [
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mp-7376 | [
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mp-1214709 | [
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mp-1209563 | [
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mp-1077377 | [
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mp-1222435 | [
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mp-10897 | [
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mp-1112117 | [
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mp-1215444 | [
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mp-1101943 | [
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mp-1210588 | [
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mp-1218627 | [
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mp-1095254 | [
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mp-867748 | [
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mp-1025010 | [
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64,
91,
44,
44
] | train | 1,798 | mp-1184525 | 3,028 | train | 12,722 |
mp-867876 | [
[
4.384367411057031,
0,
2.531315704999999
],
[
1.4614558036856762,
4.133621236762313,
2.531315704999999
],
[
0,
0,
5.062631409999999
]
] | [
[
0,
0,
0
],
[
2.92291161,
2.06681062,
5.06263141
],
[
4.38436741,
3.10021593,
7.59394711
],
[
1.4614558,
1.03340531,
2.53131571
]
] | [
62,
81,
47,
47
] | train | 1,799 | mp-867876 | 3,029 | train | 12,723 |
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