element=lattice type=modelname=O fcc LennardJones612_UniversalShifted__MO_959249795837_002 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -42.677382 Iterations: 29 Function evaluations: 58 {'basis_atoms': '[[0.0 0.0 0.0] [0.0 0.5 0.5] [0.5 0.0 0.5] [0.5 0.5 0.0]]', 'repeat': 0, 'cohesive_energy': 42.67738164755736, 'space_group': 'Fm-3m', 'element': 'O', 'lattice_constant': 1.815351240336895, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 29, 'warnflag': 0, 'species': 'O" "O" "O" "O', 'func_calls': 58}