element=lattice type=modelname=As bcc 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: -5.072280
         Iterations: 28
         Function evaluations: 58
{'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 2.5361400446650952, 'space_group': 'Im-3m', 'element': 'As', 'lattice_constant': 3.225123643875122, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 28, 'warnflag': 0, 'species': 'As" "As', 'func_calls': 58}