element=lattice type=modelname=C fcc Sim_LAMMPS_GWZBL_Samolyuk_2016_SiC__SM_720598599889_000 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -3.793726 Iterations: 29 Function evaluations: 58 {'basis_atoms': '[[0.0 0.0 0.0] [0.0 0.5 0.5] [0.5 0.0 0.5] [0.5 0.5 0.0]]', 'repeat': 0, 'cohesive_energy': 3.7937255672751133, 'space_group': 'Fm-3m', 'element': 'C', 'lattice_constant': 3.226238287985325, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 29, 'warnflag': 0, 'species': 'C" "C" "C" "C', 'func_calls': 58}