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] | null | data/MD/0788/MD_4718335101127815950760788.json | null | null | null | {"input": {"basis-set": "tight", "charge-density-convergence": {"value": 0.0001, "units": "e/angstom^3"}, "eigenvalue-energy-convergence": {"value": 0.01, "units": "eV"}, "force-convergence": {"value": 0.001, "units": "eV/angstrom"}, "k-grid": "12x12x1", "total-energy-convergence": {"value": 1e-05, "units": "eV"}}, "ha... |
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