element=lattice type=modelname=Mo bcc EAM_MagneticCubic_DerletNguyenDudarev_2007_Mo__MO_424746498193_002 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -13.640000 Iterations: 28 Function evaluations: 58 {'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 6.820000079529314, 'space_group': 'Im-3m', 'element': 'Mo', 'lattice_constant': 3.147199973464012, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 28, 'warnflag': 0, 'species': 'Mo" "Mo', 'func_calls': 58} Potential info: Mo potential Atomic number: 42