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5253131009589907978581688965258777276404733326542850724420655860240213800291125513192722872415651992588443533120928151423734946685171531744452397996512078
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8578071368225377670683081789806400901312366688224006425618042631610769087502182388050420867804939475869076888864883536128081947853843539778548576642524686
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[
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[
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[
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[
true,
true,
true
] |
C8H12O8
|
C2H3O2
|
A3B2C2
|
[
"C",
"H",
"O"
] |
[
0.2857142857142857,
0.42857142857142855,
0.2857142857142857
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[
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8,
8,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 28
| 3
| 3
|
[
1,
1,
1
] |
[
"succinic_acid_train_FPS_QE_PBE_TS",
"succinic_acid_val_QE_PBE_TS"
] | null |
data/MD/3358/MD_1253836397924609709183358.json
| null | null | null |
{"input": {"encut": "100 Ry", "kpoints": "4x2x4"}, "hash": "12538363979246097091833586420118042097224103726702180638478811883449722987643502399199118112955370205601235303336684897758604517956020966757613017737907519", "id": "MD_1253836397924609709183358"}
|
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