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-1226602 | [
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mp-1189056 | [
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mp-1101055 | [
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mp-10953 | [
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mp-1105393 | [
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mp-1209867 | [
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mp-1216362 | [
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mp-9527 | [
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mp-1227278 | [
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mp-568285 | [
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mp-760247 | [
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mp-763358 | [
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mp-867240 | [
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mp-569152 | [
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mp-1091375 | [
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mp-1521785 | [
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mp-1212711 | [
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mp-861508 | [
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mp-20282 | [
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mp-2551 | [
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mp-1211046 | [
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mp-1103655 | [
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mp-1220336 | [
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mp-4323 | [
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4.697335644658172,
2.8765188699999995
],
[
0,
0,
5.75303774
]
] | [
[
1.66075894,
1.17433391,
2.87651887
],
[
4.98227683,
3.52300173,
8.62955661
],
[
3.32151789,
2.34866782,
5.75303774
],
[
0,
0,
0
],
[
5.0430739,
3.56599175,
5.75303774
],
[
2.46073988,
3.56599175,
7.24394898
],
[
2.... | [
56,
38,
12,
74,
8,
8,
8,
8,
8,
8
] | train | 2,998 | mp-1227368 | 4,994 | train | 14,492 |
mp-1018067 | [
[
3.4747187748190065,
0,
2.0061298199999995
],
[
1.1582395916063348,
3.2759962778543095,
2.0061298199999995
],
[
0,
0,
4.01225964
]
] | [
[
0,
0,
0
],
[
2.31647918,
1.63799814,
4.01225964
],
[
1.15823959,
0.81899907,
2.00612982
],
[
3.47471877,
2.45699721,
6.01838946
]
] | [
24,
26,
26,
26
] | train | 2,999 | mp-1018067 | 4,996 | train | 14,494 |
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