element=lattice type=modelname=C fcc Tersoff_LAMMPS_Erhart_Albe_CSi__MO_903987585848_002 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -2.890411 Iterations: 26 Function evaluations: 53 {'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': 2.890410955667007, 'space_group': 'Fm-3m', 'element': 'C', 'lattice_constant': 2.7390482425689697, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 26, 'warnflag': 0, 'species': 'C" "C" "C" "C', 'func_calls': 53}