element:
Si
lattice type:
sc
modelname:
Sim_LAMMPS_ModifiedTersoff_PurjaPunMishin_2017_Si__SM_184524061456_000

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

Optimization terminated successfully.
         Current function value: -4.345084
         Iterations: 25
         Function evaluations: 51
{'lattice_constant': 2.500754863023758, 'cohesive_energy': 4.3450844749358355, 'element': 'Si', 'species': 'Si', 'crystal_structure': 'sc', 'space_group': 'Pm-3m', 'wyckoff_code': '1a', 'basis_atoms': '[[0.0 0.0 0.0]]', 'iterations': 25, 'func_calls': 51, 'warnflag': 0, 'repeat': 0}