element=lattice type=modelname=Fe fcc 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: -4.002045 Iterations: 30 Function evaluations: 62 {'basis_atoms': '[[0.0 0.0 0.0] [0.0 0.5 0.5] [0.5 0.0 0.5] [0.5 0.5 0.0]]', 'repeat': 0, 'cohesive_energy': 4.0020445913281097, 'space_group': 'Fm-3m', 'element': 'Fe', 'lattice_constant': 3.6583647727966309, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 30, 'warnflag': 0, 'species': 'Fe" "Fe" "Fe" "Fe', 'func_calls': 62} Using Fe Mendelev potential atomic number is: 26.000000000000000