element=lattice type=modelname=C diamond Tersoff_LAMMPS_Albe_Nordlund_Averback_PtC__MO_500121566391_001

Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms

Optimization terminated successfully.
         Current function value: -14.646432
         Iterations: 29
         Function evaluations: 60
{'basis_atoms': '[[0.0 0.0 0.0] [0.25 0.25 0.25] [0.0 0.5 0.5] [0.25 0.75 0.75] [0.5 0.0 0.5] [0.75 0.25 0.75] [0.5 0.5 0.0] [0.75 0.75 0.25]]', 'repeat': 0, 'cohesive_energy': 7.323216063109719, 'space_group': 'Fd-3m', 'element': 'C', 'lattice_constant': 3.5577528923749924, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 29, 'warnflag': 0, 'species': 'C" "C" "C" "C" "C" "C" "C" "C', 'func_calls': 60}