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-333 | [
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26
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mp-8058 | [
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mp-1023927 | [
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[
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0,
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34
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mp-1095170 | [
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5.6137673999999995,
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7.074061251640932e-7,
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0,
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8
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mp-567817 | [
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mp-548149 | [
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mp-1185870 | [
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mp-12323 | [
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[
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mp-1219752 | [
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[
3.982597,
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5.81427875... | [
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27
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mp-1223036 | [
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1.2361884850829706e-15,
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3.45249747,
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3.45249747,
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mp-1226464 | [
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2.0553575,
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mp-753041 | [
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mp-861918 | [
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mp-1076927 | [
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mp-977361 | [
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mp-867911 | [
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mp-1185763 | [
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mp-1225148 | [
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3.93... | [
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mp-1187706 | [
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mp-1183883 | [
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mp-1205654 | [
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mp-1025030 | [
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mp-9420 | [
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mp-1286264 | [
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mp-1212164 | [
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1.3357961642288558,
3.7782021040368146,
2.313666824999999
],
[
0,
0,
4.627333649999999
]
] | [
[
0,
0,
0
],
[
2.67159233,
1.88910105,
4.62733365
],
[
4.00738849,
2.83365158,
6.94100047
],
[
1.33579616,
0.94455053,
2.31366682
]
] | [
70,
21,
45,
45
] | train | 899 | mp-865994 | 1,527 | train | 11,371 |
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