element: Ar lattice type: sc modelname: LJ_Shifted_Bernardes_1958MedCutoff_Ar__MO_126566794224_004 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -0.056900 Iterations: 30 Function evaluations: 61 {'lattice_constant': 3.634356588125229, 'cohesive_energy': 0.05690044394767889, 'element': 'Ar', 'species': 'Ar', 'crystal_structure': 'sc', 'space_group': 'Pm-3m', 'wyckoff_code': '1a', 'basis_atoms': '[[0.0 0.0 0.0]]', 'iterations': 30, 'func_calls': 61, 'warnflag': 0, 'repeat': 0}