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3.0392839908599854,
4.905366897583008
... | [
true,
true,
true
] | Mo36Pt20S72 | Mo9Pt5S18 | A18B9C5 | [
"Mo",
"Pt",
"S"
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0.15625,
0.5625
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42,
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42,
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16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
... | 128 | 3 | 0 | [
0,
0,
0
] | [
"MoS2_Pt__Pt20_set.009_653"
] | null | data/MD/5202/MD_1086845055867124744315202.json | null | null | null | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_4891612472192597451851532 | 4891612472192597451851532636296774057209819854831616845482201548382600852427447589601834501561586518521278185156936632214538536799006892480456543481715031 | 2025-04-16T17:17:43 | DS_k85kj1kiekip_0 | 1 | CP2K | NVT | -615,595.5625 | [
[
1.0522421598434448,
0.2356320023536682,
0.4799983501434326
],
[
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[
-1.003831148147583,
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0.29783681035... | [] | null | null | null | null | null | null | 4.019087 | 1.457211 | null | CO_6038540393125160018372177 | 6038540393125160018372177522979630900725690806654434657561883201044633578923488845850933227505649178675534516890953236660611298445080284021799710854198492 | 8150556852027660048586460845310863606791119738125716952356273967258297350674453336629536576969743896034657842299633796494162085779216777237594295131778873 | [
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0
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[
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0
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[
0,
0,
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],
[
0.832476019859314,
2.0258939266204834,
1.63396310806274... | [
true,
true,
true
] | Co36Cr36Fe36Mn36Ni36 | CoCrFeMnNi | ABCDE | [
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"Fe",
"Mn",
"Ni"
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0.2,
0.2,
0.2,
0.2,
0.2
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... | 180 | 5 | 0 | [
0,
0,
0
] | [
"HEA_rand1__29_set.006_69"
] | null | data/MD/5202/MD_1086845055867124744315202.json | null | null | null | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
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