element:
H
lattice type:
sc
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: -0.013146
         Iterations: 26
         Function evaluations: 53
{'lattice_constant': 2.7080587297677994, 'cohesive_energy': 0.013146207445150916, 'element': 'H', 'species': 'H', 'crystal_structure': 'sc', 'space_group': 'Pm-3m', 'wyckoff_code': '1a', 'basis_atoms': '[[0.0 0.0 0.0]]', 'iterations': 26, 'func_calls': 53, 'warnflag': 0, 'repeat': 0}