element=lattice type=modelname=Al sc Sim_LAMMPS_BOP_ZhouWardFoster_2016_AlCu__SM_566399258279_000 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -6.194167 Iterations: 26 Function evaluations: 55 {'basis_atoms': '[[0.0 0.0 0.0]]', 'repeat': 0, 'cohesive_energy': 6.194167198949692, 'space_group': 'Pm-3m', 'element': 'Al', 'lattice_constant': 2.6896710097789764, 'wyckoff_code': '1a', 'crystal_structure': 'sc', 'iterations': 26, 'warnflag': 0, 'species': 'Al', 'func_calls': 55}