element=lattice type=modelname=Ga sc Sim_LAMMPS_BOP_MurdickZhouWadley_2006_GaAs__SM_104202807866_000 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -5.169782 Iterations: 25 Function evaluations: 50 {'basis_atoms': '[[0.0 0.0 0.0]]', 'repeat': 0, 'cohesive_energy': 5.169781899084237, 'space_group': 'Pm-3m', 'element': 'Ga', 'lattice_constant': 2.681788995862007, 'wyckoff_code': '1a', 'crystal_structure': 'sc', 'iterations': 25, 'warnflag': 0, 'species': 'Ga', 'func_calls': 50}