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-981382 | [
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mp-304 | [
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mp-758054 | [
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mp-9964 | [
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mp-1029776 | [
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mp-768229 | [
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mp-2409 | [
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mp-867312 | [
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mp-557049 | [
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[
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mp-1114413 | [
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mp-1186933 | [
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mp-1219595 | [
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... | [
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mp-30927 | [
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mp-1102933 | [
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mp-18894 | [
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mp-975929 | [
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mp-26348 | [
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... | [
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mp-865909 | [
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mp-23637 | [
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mp-1228640 | [
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mp-1079273 | [
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mp-10180 | [
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mp-556633 | [
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mp-1021465 | [
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] | train | 2,697 | mp-1208845 | 4,519 | train | 14,064 |
mp-776440 | [
[
5.1363819946603675,
0,
-0.00023420668858209178
],
[
0.0000027453319837954324,
5.4742412545284775,
0.5190669118203737
],
[
0,
0,
7.66964655
]
] | [
[
2.49673103,
5.02402323,
2.12143331
],
[
2.64020559,
5.02377142,
5.95571997
],
[
5.05694029,
5.41464866,
8.13135365
],
[
2.65841294,
2.77806795,
7.91760979
],
[
0.07923141,
5.41445707,
4.29657811
],
[
2.47782802,
2.77794752,
... | [
3,
3,
23,
23,
23,
23,
8,
8,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | train | 2,698 | mp-776440 | 4,520 | train | 14,065 |
mp-1186916 | [
[
2.7240140049250257,
0,
1.6679775159819976e-16
],
[
-1.3620070024625133,
2.3590660041160247,
-4.380549560228616e-16
],
[
0,
0,
8.870532
]
] | [
[
0,
0,
0
],
[
1.362007,
0.78635533,
6.652899
],
[
0,
0,
4.435266
],
[
0,
1.57271067,
2.217633
]
] | [
45,
45,
45,
45
] | train | 2,699 | mp-1186916 | 4,521 | train | 14,066 |
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