element=lattice type=modelname=Fe sc Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -3.306670 Iterations: 26 Function evaluations: 53 {'basis_atoms': '[[0.0 0.0 0.0]]', 'repeat': 0, 'cohesive_energy': 3.3066700106914273, 'space_group': 'Pm-3m', 'element': 'Fe', 'lattice_constant': 2.394452929496765, 'wyckoff_code': '1a', 'crystal_structure': 'sc', 'iterations': 26, 'warnflag': 0, 'species': 'Fe', 'func_calls': 53}