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-755756 | [
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mp-11416 | [
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mp-22639 | [
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mp-697038 | [
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mp-1095167 | [
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mp-14305 | [
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mp-604321 | [
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mp-1186853 | [
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mp-646456 | [
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mp-1226672 | [
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mp-1205676 | [
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mp-568506 | [
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mp-1185335 | [
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mp-3915 | [
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mp-675104 | [
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mp-559550 | [
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mp-1521788 | [
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mp-1184754 | [
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mp-1226051 | [
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mp-1225162 | [
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mp-1215777 | [
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mp-760804 | [
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mp-1106017 | [
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mp-1210050 | [
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mp-569713 | [
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0.35377913,
3.43432423,
3.89967988
],
[
0,
0,
3.52577899
],
[
0,
0,
0
],
[
-0.14986164,
4.... | [
48,
48,
32,
32,
32,
32,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | train | 4,296 | mp-7762 | 7,071 | train | 16,361 |
mp-21051 | [
[
4.511555,
0,
2.762530694963619e-16
],
[
1.2002818401241956e-15,
7.46387,
4.570302252375977e-16
],
[
0,
0,
8.576405
]
] | [
[
3.38366625,
3.48966524,
7.05114283
],
[
1.12788875,
0.24226976,
2.76294033
],
[
3.38366625,
7.22160024,
5.81346467
],
[
1.12788875,
3.97420476,
1.52526217
],
[
1.12788875,
4.83352011,
4.83975111
],
[
1.12788875,
1.10158511,
... | [
63,
63,
63,
63,
49,
49,
49,
49,
78,
78,
78,
78
] | train | 4,297 | mp-21051 | 7,072 | train | 16,362 |
mp-1187708 | [
[
4.479094075126599,
0,
2.586006169999999
],
[
1.4930313583755321,
4.222930392126008,
2.586006169999999
],
[
0,
0,
5.172012339999999
]
] | [
[
4.47909408,
3.16719779,
7.75801851
],
[
1.49303136,
1.0557326,
2.58600617
],
[
0,
0,
0
],
[
2.98606272,
2.1114652,
5.17201234
]
] | [
39,
39,
13,
47
] | train | 4,298 | mp-1187708 | 7,073 | train | 16,363 |
mp-1226286 | [
[
6.498183499972474,
0,
3.700751396351669
],
[
2.166514759288842,
6.190271326627661,
3.751282618142089
],
[
0,
0,
7.555485859495071
]
] | [
[
4.33234913,
3.09513566,
3.72601701
],
[
1.08325738,
3.09513566,
1.87564131
],
[
4.3385899,
0.76462231,
7.49280171
],
[
4.32610836,
5.42564901,
7.51471817
],
[
0,
0,
0
],
[
7.58144088,
3.09513566,
9.35413564
],
[
1.... | [
24,
24,
48,
48,
49,
49,
16,
16,
16,
16,
16,
16,
16,
16
] | train | 4,299 | mp-1226286 | 7,075 | train | 16,365 |
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