element:
C
lattice type:
fcc
modelname:
Sim_LAMMPS_ReaxFF_SinghSrinivasanNeekAmal_2013_CFH__SM_306840588959_000

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

Optimization terminated successfully.
         Current function value: -9.833119
         Iterations: 28
         Function evaluations: 61
{'lattice_constant': 2.8610973060131073, 'cohesive_energy': 2.4582797286136526, 'element': 'C', 'species': 'C" "C" "C" "C', 'crystal_structure': 'fcc', 'space_group': 'Fm-3m', 'wyckoff_code': '4a', 'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.0] [0.5 0.0 0.5] [0.0 0.5 0.5]]', 'iterations': 28, 'func_calls': 61, 'warnflag': 0, 'repeat': 0}