element=lattice type=modelname=W fcc Sim_LAMMPS_EAM_BonnyCastinBullens_2013_FeCrW__SM_699257350704_000 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -34.981644 Iterations: 30 Function evaluations: 62 {'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': 8.74541090360682, 'space_group': 'Fm-3m', 'element': 'W', 'lattice_constant': 3.927006483078003, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 30, 'warnflag': 0, 'species': 'W" "W" "W" "W', 'func_calls': 62}