element=lattice type=modelname=Ar bcc LJ_Shifted_Bernardes_1958HighCutoff_Ar__MO_242741380554_003

Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms

Optimization terminated successfully.
         Current function value: -0.084745
         Iterations: 32
         Function evaluations: 65
{'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 0.08474469630155701, 'space_group': 'Im-3m', 'element': 'Ar', 'lattice_constant': 4.196534290909767, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 32, 'warnflag': 0, 'species': 'Ar" "Ar', 'func_calls': 65}