element=lattice type=modelname=S sc SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_002 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -2.660213 Iterations: 28 Function evaluations: 56 {'basis_atoms': '[[0.0 0.0 0.0]]', 'repeat': 0, 'cohesive_energy': 2.6602132611380345, 'space_group': 'Pm-3m', 'element': 'S', 'lattice_constant': 3.084411822259426, 'wyckoff_code': '1a', 'crystal_structure': 'sc', 'iterations': 28, 'warnflag': 0, 'species': 'S', 'func_calls': 56}