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PO_4878771552707782215655524 | 4878771552707782215655524048418446437951568478923991154761125162488789423312904533344320857713058173729219748514883203110008222908095404226487532424403614 | 2025-04-16T18:29:07 | DS_vbjvssevrff5_0 | 1 | Quantum ESPRESSO v6.3 | DFT-PBE-TS | -24,852.097814 | [
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PO_4905828154559689245198081 | 4905828154559689245198081177481499647372687711760958897883900749261332185622966600054224983104102158281783950059797614660853025398419784371713827188026732 | 2025-04-16T18:52:09 | DS_vbjvssevrff5_0 | 1 | Quantum ESPRESSO v6.3 | DFT-PBE-TS | -24,853.931586 | [
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[
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[
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-1.8703... | [] | null | null | null | null | null | null | 8.657853 | 2.505123 | null | CO_5021206438592847975231672 | 5021206438592847975231672012338560278967913703769695102931439122602037114783188813796265342169477070343436350007333140290142726873660580601486548087347202 | 11373377309118643609116436747773334725396574100448543775582766062348011364845533875282867634889423497101015729799808990788346877531204135754635823422973004 | [
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0
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[
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"succinic_acid_test_AIMS_PBE0_MBD"
] | 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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