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-1113490 | [
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mp-554155 | [
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mp-647102 | [
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mp-1113020 | [
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mp-1027594 | [
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mp-1185359 | [
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mp-1228394 | [
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mp-756361 | [
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mp-862543 | [
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mp-1102609 | [
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mp-1186718 | [
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mp-761563 | [
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mp-1114360 | [
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mp-1104120 | [
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mp-18767 | [
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mp-1247014 | [
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mp-1516637 | [
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mp-20805 | [
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mp-1186034 | [
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mp-29164 | [
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mp-862833 | [
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mp-1224272 | [
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mp-1519147 | [
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mp-1749 | [
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mp-1215224 | [
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mp-861913 | [
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3.92921915,
4.86216063,
6.8056072
],
[
3.6765... | [
30,
30,
27,
27,
27,
27,
16,
16,
16,
16,
16,
16,
16,
16
] | train | 2,897 | mvc-98 | 4,831 | train | 14,345 |
mp-27961 | [
[
3.7062353858756873,
0,
-0.4851050720098191
],
[
-0.06349486910256309,
3.705691451959782,
-0.48510507199637043
],
[
0,
0,
14.40049638
]
] | [
[
0,
0,
0
],
[
2.458675,
2.50116386,
4.38394601
],
[
1.18406552,
1.2045276,
9.04634023
],
[
3.3460439,
1.51872576,
11.16350409
],
[
1.46117877,
3.37157149,
11.16350409
],
[
0.29669662,
2.18696569,
2.26678215
],
[
2.1... | [
40,
40,
40,
29,
29,
29,
29,
14,
14,
14,
14,
14,
14
] | train | 2,898 | mp-27961 | 4,832 | train | 14,346 |
mp-864983 | [
[
3.6873553085688138,
0,
2.1288955799999996
],
[
1.229118436189604,
3.476471924444297,
2.1288955799999996
],
[
0,
0,
4.25779116
]
] | [
[
2.45823687,
1.73823596,
4.25779116
],
[
0,
0,
0
],
[
3.68735531,
2.60735394,
6.38668674
],
[
1.22911844,
0.86911798,
2.12889558
]
] | [
25,
23,
44,
44
] | train | 2,899 | mp-864983 | 4,833 | train | 14,347 |
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