element=lattice type=modelname=Mo bcc Pair_Morse_Shifted_GirifalcoWeizer_MedCutoff_Mo__MO_534363225491_001 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -6.693713 Iterations: 28 Function evaluations: 57 {'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 6.693713245594788, 'space_group': 'Im-3m', 'element': 'Mo', 'lattice_constant': 3.1435002833604813, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 28, 'warnflag': 0, 'species': 'Mo" "Mo', 'func_calls': 57}