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-27916 | [
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mp-1222967 | [
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mp-1218749 | [
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mp-864804 | [
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mp-1102073 | [
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mp-1100783 | [
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mp-1276442 | [
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mp-569748 | [
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mp-1188237 | [
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mp-1523148 | [
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mp-600216 | [
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mp-1186569 | [
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mp-861738 | [
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mp-1226559 | [
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mp-13925 | [
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mp-7497 | [
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mp-23003 | [
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mp-989407 | [
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mp-983587 | [
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mp-864857 | [
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mp-10993 | [
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mp-973906 | [
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mp-21246 | [
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mp-1209892 | [
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mp-23212 | [
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-1.4946649427503025
],
[
0,
0,
5.80294775
]
] | [
[
0,
0,
0
],
[
1.28290809,
1.48890769,
3.33676503
],
[
2.0299598,
2.35591526,
-0.52314717
],
[
2.77198277,
0.96120574,
1.40680893
],
[
0.54088512,
2.88361721,
1.40680893
]
] | [
60,
15,
15,
46,
46
] | train | 1,898 | mp-1206126 | 3,205 | train | 12,882 |
mp-12878 | [
[
5.8666079453643505,
0,
0.02374526739929632
],
[
9.543009874456828e-16,
5.934255,
-9.543009874456828e-16
],
[
0,
0,
8.33181824487108
]
] | [
[
2.98247788,
3.17474335,
2.09795903
],
[
5.81743404,
0.20761585,
2.103568
],
[
2.88413006,
2.75951165,
6.25760448
],
[
0.04917391,
5.72663915,
6.25199552
],
[
2.93330397,
0,
8.34369088
],
[
5.86660795,
2.9671275,
4.18965439... | [
38,
38,
38,
38,
39,
39,
51,
51,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | train | 1,899 | mp-12878 | 3,206 | train | 12,883 |
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