element=lattice type=modelname=C bcc 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: -4.469402 Iterations: 25 Function evaluations: 50 {'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 4.469401725895227, 'space_group': 'Im-3m', 'element': 'C', 'lattice_constant': 2.4847925305366516, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 25, 'warnflag': 0, 'species': 'C" "C', 'func_calls': 50}