element=lattice type=modelname=Fe fcc Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Fe__MO_147603128437_002 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -16.817270 Iterations: 31 Function evaluations: 65 {'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.0] [0.5 0.0 0.5] [0.0 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 4.204317547417168, 'space_group': 'Fm-3m', 'element': 'Fe', 'lattice_constant': 3.6063025891780853, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 31, 'warnflag': 0, 'species': 'Fe" "Fe" "Fe" "Fe', 'func_calls': 65}