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-998610 | [
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mp-541825 | [
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mp-1226941 | [
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mp-14241 | [
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mp-12059 | [
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mp-1215960 | [
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mp-866008 | [
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mp-505110 | [
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mp-978529 | [
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mp-23163 | [
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mp-1104287 | [
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mp-1206861 | [
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mp-1210052 | [
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mp-1186381 | [
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mp-23009 | [
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mp-672294 | [
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mp-865485 | [
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mp-776331 | [
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mp-1237167 | [
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mp-1227631 | [
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mp-1105693 | [
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mp-1101971 | [
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mp-1114630 | [
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mp-1215217 | [
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mp-21342 | [
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[
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57,
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57,
57,
57,
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29,
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83,
83,
83,
83
] | train | 3,275 | mp-1189076 | 5,418 | train | 14,874 |
mp-12088 | [
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[
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mp-1101390 | [
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[
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62,
62,
1,
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1,
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mp-977566 | [
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[
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mp-1187623 | [
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mp-11296 | [
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[
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[
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mp-1112463 | [
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[
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[
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19,
19,
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] | train | 3,281 | mp-1112463 | 5,429 | train | 14,884 |
mp-1224798 | [
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[
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28
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mp-1228637 | [
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[
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[
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... | [
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74
] | train | 3,283 | mp-1228637 | 5,433 | train | 14,888 |
mp-20277 | [
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[
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mp-1222443 | [
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[
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mp-22332 | [
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mp-1220993 | [
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[
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[
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mp-570849 | [
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[
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mp-1188466 | [
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[
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[
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[
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... | [
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30,
30,
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30,
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30,
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53,
53,
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] | train | 3,289 | mp-1188466 | 5,440 | train | 14,894 |
mp-14796 | [
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[
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19,
19,
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34,
34,
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34
] | train | 3,290 | mp-14796 | 5,441 | train | 14,895 |
mp-982015 | [
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[
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] | [
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mp-23127 | [
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[
1.80... | [
56,
56,
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] | train | 3,292 | mp-23127 | 5,443 | train | 14,897 |
mp-1025047 | [
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] | [
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mp-1103162 | [
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[
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[
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6.52... | [
22,
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22,
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46
] | train | 3,294 | mp-1103162 | 5,447 | train | 1,490 |
mp-1183814 | [
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[
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[
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] | [
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79
] | train | 3,295 | mp-1183814 | 5,448 | train | 14,900 |
mp-1112648 | [
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[
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[
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17
] | train | 3,296 | mp-1112648 | 5,449 | train | 14,901 |
mp-1111107 | [
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[
5.0... | [
19,
19,
3,
22,
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] | train | 3,297 | mp-1111107 | 5,450 | train | 14,902 |
mp-12480 | [
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[
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[
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[
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78
] | train | 3,298 | mp-12480 | 5,451 | train | 14,903 |
mp-1219501 | [
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[
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] | [
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[
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[
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16
] | train | 3,299 | mp-1219501 | 5,453 | train | 14,905 |
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