element:
Si
lattice type:
sc
modelname:
EDIP_LAMMPS_JustoBazantKaxiras_1998_Si__MO_315965276297_000

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

Optimization terminated successfully.
         Current function value: -4.128462
         Iterations: 29
         Function evaluations: 58
{'lattice_constant': 2.4970000088214874, 'cohesive_energy': 4.128462153023035, 'element': 'Si', 'species': 'Si', 'crystal_structure': 'sc', 'space_group': 'Pm-3m', 'wyckoff_code': '1a', 'basis_atoms': '[[0.0 0.0 0.0]]', 'iterations': 29, 'func_calls': 58, 'warnflag': 0, 'repeat': 0}