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] | null | data/MD/5428/MD_3029330070173112270945428.json | null | null | null | {"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": "302933007017311227094542824834675610426216691394861502373006184637104890738544686093321373222408676857094... |
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