element=lattice type=modelname=Ar fcc Pair_Lennard_Jones_Shifted_Bernardes_MedCutoff_Ar__MO_126566794224_002 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -0.086506 Iterations: 32 Function evaluations: 66 {'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': 0.08650550849505408, 'space_group': 'Fm-3m', 'element': 'Ar', 'lattice_constant': 5.248509079217911, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 32, 'warnflag': 0, 'species': 'Ar" "Ar" "Ar" "Ar', 'func_calls': 66}