element=lattice type=modelname=Cu sc Sim_LAMMPS_ADP_PunDarlingKecskes_2015_CuTa__SM_399364650444_000 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -3.106856 Iterations: 26 Function evaluations: 53 {'basis_atoms': '[[0.0 0.0 0.0]]', 'repeat': 0, 'cohesive_energy': 3.1068559911603195, 'space_group': 'Pm-3m', 'element': 'Cu', 'lattice_constant': 2.392846092581749, 'wyckoff_code': '1a', 'crystal_structure': 'sc', 'iterations': 26, 'warnflag': 0, 'species': 'Cu', 'func_calls': 53}