element=lattice type=modelname=S bcc Three_Body_Stillinger_Weber_CdTeZnSeHgS__MO_503261197030_000 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -2.789993 Iterations: 31 Function evaluations: 62 {'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 2.7899932587087242, 'space_group': 'Im-3m', 'element': 'S', 'lattice_constant': 3.6838874146342278, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 31, 'warnflag': 0, 'species': 'S" "S', 'func_calls': 62}