element:
C
lattice type:
diamond
modelname:
Sim_LAMMPS_MEAM_LiyanageSeongGonHouze_2014_FeC__SM_652425777808_000

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

Optimization terminated successfully.
         Current function value: -58.960000
         Iterations: 29
         Function evaluations: 59
{'lattice_constant': 3.56700000166893, 'cohesive_energy': 7.3699999999872094, 'element': 'C', 'species': 'C" "C" "C" "C" "C" "C" "C" "C', 'crystal_structure': 'diamond', 'space_group': 'Fd-3m', 'wyckoff_code': '8a', 'basis_atoms': '[[0.0 0.0 0.0] [0.25 0.25 0.25] [0.5 0.5 0.0] [0.75 0.75 0.25] [0.5 0.0 0.5] [0.75 0.25 0.75] [0.0 0.5 0.5] [0.25 0.75 0.75]]', 'iterations': 29, 'func_calls': 59, 'warnflag': 0, 'repeat': 0}