element=lattice type=modelname=Po fcc 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: -63.253644 Iterations: 30 Function evaluations: 62 {'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.0] [0.5 0.0 0.5] [0.0 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 15.813410985412183, 'space_group': 'Fm-3m', 'element': 'Po', 'lattice_constant': 3.850738525390625, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 30, 'warnflag': 0, 'species': 'Po" "Po" "Po" "Po', 'func_calls': 62}