element:
As
lattice type:
sc
modelname:
Tersoff_LAMMPS_AlbeNordlundNord_2002_GaAs__MO_799020228312_002

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

Optimization terminated successfully.
         Current function value: -2.887409
         Iterations: 25
         Function evaluations: 51
{'lattice_constant': 2.6110678613185883, 'cohesive_energy': 2.887409055335323, 'element': 'As', 'species': 'As', '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}