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[
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],
[
3.28579,
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[
5.53533,
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[
19.9128,
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7.17461
],
[
2.23654,
3.92974,
7.76101
],
[
3.28738,
5.80594,
... | [
true,
true,
true
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"Si"
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1
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14,
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14,
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14,
14,
14,
14,
14,
14,
14,
14,
14,
... | 60 | 1 | 0 | [
0,
0,
0
] | [
"Silicene_Fan_2021_217"
] | null | data/MD/5202/MD_1086845055867124744315202.json | null | null | null | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1056851312770707669884538 | 10568513127707076698845385486839366282843711179278557869312481382932680527056969185367609439585649997132998244216494595152027707644821755396245928053406714 | 2025-04-16T21:09:01 | DS_yg0yzoiwoux8_0 | 1 | CASTEP | DFT-PW91 | -72.38192 | [
[
-0.205531,
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0.218362
],
[
-0.0354836,
0.204879,
-0.50855
],
[
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[
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[
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0.15578
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[
0.212711,
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-0.0759852
],
... | [
[
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[
2.58169,
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2.99332
],
[
2.6282,
2.99332,
3.58331
]
] | true | null | null | null | null | null | 0.700072 | 0.426123 | null | CO_6503452047169901131442436 | 650345204716990113144243644752126920303914271776889580108825802190255863551678842871382960720018945876863241415866804280770198567270240183337748396305274 | 6296062450483231918333740075208985162847166961852598236074905577414746830158320357676450927582921338889257781656863284559971194932491028965521490086458328 | [
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[
0.000011,
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[
5.231909,
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] | [
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[
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],
[
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3.93962683
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[
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2.64403051
],
[
1.2870655,
3.95450986,
3... | [
true,
true,
true
] | Si16 | Si | A | [
"Si"
] | [
1
] | [
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14
] | 16 | 1 | 0 | [
0,
0,
0
] | [
"Si_Fan_2021_968"
] | null | data/MD/5202/MD_1086845055867124744315202.json | null | null | null | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
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