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-7548 | [
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mp-1026002 | [
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mp-1223317 | [
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mp-1214622 | [
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mp-23305 | [
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mp-754409 | [
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mp-1226758 | [
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mp-27300 | [
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mp-1226760 | [
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mp-865846 | [
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mp-1027641 | [
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mp-1218850 | [
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mp-862921 | [
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mp-1225361 | [
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mp-979043 | [
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mp-1184435 | [
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mp-756297 | [
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mp-1222911 | [
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1.89... | [
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mp-23140 | [
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mp-978521 | [
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mp-861978 | [
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mp-1184769 | [
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mp-862762 | [
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mp-23053 | [
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mp-1105958 | [
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] | [
[
0,
0,
0
],
[
3.21604785,
1.12519622,
1.03832818
],
[
0.46306738,
3.37558867,
1.03832818
],
[
1.83955761,
2.25039245,
4.12480899
]
] | [
61,
67,
67,
67
] | train | 3,497 | mp-1186584 | 5,783 | train | 15,201 |
mp-1096927 | [
[
5.46203776906999,
0,
0.002453243030083965
],
[
0.002257483114564227,
5.461910921900258,
-0.002977499877683747
],
[
0,
0,
5.46445832
]
] | [
[
5.42644961,
5.45833992,
5.45054852
],
[
2.66679366,
2.7337855,
2.72895402
],
[
2.64644881,
0.00216374,
2.69689393
],
[
5.39483699,
2.74371061,
2.73697217
],
[
2.6605137,
2.71678847,
5.45858636
]
] | [
55,
20,
17,
17,
17
] | train | 3,498 | mp-1096927 | 5,786 | train | 15,204 |
mp-567306 | [
[
7.094923803205166,
0,
2.8229976642121484
],
[
1.9150120254043745,
6.831593717123691,
2.8229976642121484
],
[
0,
0,
7.63591832
]
] | [
[
3.98231065,
0.81157967,
2.73649924
],
[
1.856335,
3.61545018,
2.73649924
],
[
7.15360083,
3.21614353,
10.54541441
],
[
1.07036236,
0.81157967,
4.71185183
],
[
7.93957347,
6.02001405,
8.57006182
],
[
5.02762518,
6.02001405,
... | [
3,
3,
3,
3,
3,
3,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31
] | train | 3,499 | mp-567306 | 5,787 | train | 15,205 |
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