element=lattice type=modelname=Fe bcc model_Fe_PF_mendelev__MO_856295952425_001 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -4.122435 Iterations: 27 Function evaluations: 55 {'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 4.1224351007327877, 'space_group': 'Im-3m', 'element': 'Fe', 'lattice_constant': 2.8553246259689331, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 27, 'warnflag': 0, 'species': 'Fe" "Fe', 'func_calls': 55} Using Fe Mendelev potential atomic number is: 26.000000000000000