element:
C
lattice type:
bcc
modelname:
Sim_LAMMPS_ReaxFF_ChenowethVanDuinGoddard_2008_CHO__SM_584143153761_001

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

Optimization terminated successfully.
         Current function value: -7.817855
         Iterations: 27
         Function evaluations: 58
{'lattice_constant': 2.3141777515411377, 'cohesive_energy': 3.9089273374615834, 'element': 'C', 'species': 'C" "C', 'crystal_structure': 'bcc', 'space_group': 'Im-3m', 'wyckoff_code': '2a', 'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'iterations': 27, 'func_calls': 58, 'warnflag': 0, 'repeat': 0}