element: As lattice type: sc modelname: Tersoff_LAMMPS_AlbeNordlundNord_2002_GaAs__MO_799020228312_004 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}