element=lattice type=modelname=Fe sc model_Fe_PF_DudarevDerlet__MO_135034229282_001 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -3.366833 Iterations: 25 Function evaluations: 51 {'basis_atoms': '[[0.0 0.0 0.0]]', 'repeat': 0, 'cohesive_energy': 3.3668333724500954, 'space_group': 'Pm-3m', 'element': 'Fe', 'lattice_constant': 2.4521171003580093, 'wyckoff_code': '1a', 'crystal_structure': 'sc', 'iterations': 25, 'warnflag': 0, 'species': 'Fe', 'func_calls': 51} Using a magnetic interatomic potential for alpha iron atomic number is: 26.000000000000000