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data/MD/5428/MD_3029330070173112270945428.json
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{"input": {"energy-convergence": {"value": 1e-05, "units": "eV"}, "forces-convergence": {"value": 0.02, "units": "eV/Ang"}, "k-point-mesh": "4x4x4", "kinetic-energy-cutoff": {"value": 520, "units": "eV"}}, "hash": "3029330070173112270945428248346756104262166913948615023730061846371048907385446860933213732224086768570944475097288834560418435999319412793966686182956189", "id": "MD_3029330070173112270945428"}
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PO_7585141999909895765695940
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| 2025-04-17T17:56:16
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DS_eltotrjoqonr_0
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VASP
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DS_eltotrjoqonr_0
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DS_eltotrjoqonr_0
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VASP
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DS_eltotrjoqonr_0
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DS_eltotrjoqonr_0
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DS_eltotrjoqonr_0
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DS_eltotrjoqonr_0
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| 2025-04-16T17:41:23
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DS_eltotrjoqonr_0
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VASP
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DFT-PBE
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data/MD/5428/MD_3029330070173112270945428.json
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PO_3602026575650243344193666
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| 2025-04-16T20:16:51
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DS_eltotrjoqonr_0
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VASP
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DFT-PBE
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DS_eltotrjoqonr_0
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VASP
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data/MD/5428/MD_3029330070173112270945428.json
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