element=lattice type=modelname=Ar bcc Pair_LJ_Smooth_Bernardes_Ar__MO_764178710049_000 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -0.067408 Iterations: 32 Function evaluations: 65 {'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 0.067408041447089201, 'space_group': 'Im-3m', 'element': 'Ar', 'lattice_constant': 4.2344574332237244, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 32, 'warnflag': 0, 'species': 'Ar" "Ar', 'func_calls': 65}