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-989577 | [
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mp-5874 | [
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mp-1205947 | [
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mp-1218305 | [
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mp-1184322 | [
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mp-1225141 | [
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mp-1217081 | [
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mp-1187198 | [
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mp-20615 | [
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mp-569961 | [
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mp-1102477 | [
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mp-1225224 | [
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mp-1223213 | [
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mp-984784 | [
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mp-676341 | [
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mp-27214 | [
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mp-1206262 | [
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mp-4316 | [
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],
[
5.25826425,
4.143313,
4.143313
],
[
1.75275475,
4.143313,
4.143313
],
[
5.25826425,
0,
8.286626
],
[
5.25826425,
0,
4.143313
],
[
1.75275475,
4.143313,
0
],
[
5.25826425,
4.143313,
8.2... | [
81,
81,
81,
81,
81,
49,
49,
49,
34,
34,
34,
34,
34,
34,
34,
34
] | train | 298 | mp-1216735 | 526 | train | 10,470 |
mp-979012 | [
[
4.342234963393774,
0,
2.5069905249999995
],
[
1.4474116544645905,
4.0938983841614105,
2.5069905249999995
],
[
0,
0,
5.01398105
]
] | [
[
4.34223496,
3.07042379,
7.52097157
],
[
1.44741165,
1.0234746,
2.50699053
],
[
0,
0,
0
],
[
2.89482331,
2.04694919,
5.01398105
]
] | [
69,
69,
13,
30
] | train | 299 | mp-979012 | 528 | train | 10,472 |
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