element: As lattice type: sc modelname: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -21.683224 Iterations: 27 Function evaluations: 54 {'lattice_constant': 2.2656983584165573, 'cohesive_energy': 21.683224212536974, 'element': 'As', 'species': 'As', 'crystal_structure': 'sc', 'space_group': 'Pm-3m', 'wyckoff_code': '1a', 'basis_atoms': '[[0.0 0.0 0.0]]', 'iterations': 27, 'func_calls': 54, 'warnflag': 0, 'repeat': 0}