{"@module": "pymatgen.entries.computed_entries", "@class": "ComputedStructureEntry", "energy": -1.53343974, "composition": {"O": 1.0}, "correction": 0.0, "parameters": {"run_type": "GGA", "is_hubbard": false, "hubbards": {}, "potcar_symbols": ["pbe O"], "is_lasph": false, "potcar_spec": [{"hash": "7a25bc5b9a5393f46600a4939d357982", "titel": "PAW_PBE O 08Apr2002"}], "xc_override": null}, "data": {}, "entry_id": 3117, "attribute": null, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[16.0, 0.0, 0.0], [0.0, 16.0, 0.0], [0.0, 0.0, 16.0]], "a": 16.0, "b": 16.0, "c": 16.0, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 4096.0}, "sites": [{"species": [{"element": "O", "occu": 1}], "abc": [0.5, 0.5, 0.5], "xyz": [8.0, 8.0, 8.0], "label": "O"}]}}