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-865888 | [
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mp-1206768 | [
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mp-1030465 | [
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mp-1106200 | [
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mp-1094665 | [
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mp-19965 | [
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mp-1224112 | [
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mp-34078 | [
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mp-615138 | [
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mp-18904 | [
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mp-977383 | [
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mp-760272 | [
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mp-567776 | [
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mp-758848 | [
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mp-1227116 | [
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mp-1025180 | [
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mp-754258 | [
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mp-570680 | [
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mp-15605 | [
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mp-4985 | [
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0,
7.673221559999999
]
] | [
[
2.21506827,
1.56628979,
3.83661078
],
[
6.6452048,
4.69886938,
11.50983234
],
[
4.43013653,
3.13257958,
7.67322156
],
[
0,
0,
0
],
[
3.24315233,
4.81122874,
5.61730461
],
[
2.05616813,
1.45393043,
7.67322156
],
[
5... | [
55,
55,
80,
33,
17,
17,
17,
17,
17,
17
] | train | 399 | mp-1112907 | 696 | train | 10,623 |
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