element=lattice type=modelname=Mo sc Pair_Morse_Shifted_GirifalcoWeizer_LowCutoff_Mo__MO_228581001644_001 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -4.666564 Iterations: 25 Function evaluations: 50 {'basis_atoms': '[[0.0 0.0 0.0]]', 'repeat': 0, 'cohesive_energy': 4.666563627757623, 'space_group': 'Pm-3m', 'element': 'Mo', 'lattice_constant': 2.6724882274866104, 'wyckoff_code': '1a', 'crystal_structure': 'sc', 'iterations': 25, 'warnflag': 0, 'species': 'Mo', 'func_calls': 50}