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-1183730 | [
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mp-1105660 | [
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mp-1094458 | [
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mp-1079559 | [
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mp-1079698 | [
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mp-13376 | [
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mp-867877 | [
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mp-754883 | [
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mp-1079550 | [
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mp-11481 | [
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mp-752508 | [
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mp-1187710 | [
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mp-974925 | [
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mp-570875 | [
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mp-1184511 | [
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mp-976404 | [
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mp-1209661 | [
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mp-1215741 | [
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mp-1187650 | [
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mp-1095273 | [
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mp-978274 | [
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0
],
[
0,
0,
2.9651675
],
[
1.719742,
0.99289367,
4.42414852
],
[
0,
1.98578734,
1.50618648
]
] | [
22,
24,
16,
16
] | train | 698 | mp-1216903 | 1,173 | train | 11,052 |
mp-865145 | [
[
4.8537423112893805,
0,
2.8023094300000007
],
[
1.617914103763127,
4.57615213659305,
2.8023094300000007
],
[
0,
0,
5.60461886
]
] | [
[
3.23582821,
2.28807607,
5.60461886
],
[
1.6179141,
1.14403803,
2.80230943
],
[
4.85374231,
3.4321141,
8.40692829
],
[
0,
0,
0
]
] | [
11,
81,
81,
83
] | train | 699 | mp-865145 | 1,174 | train | 11,053 |
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