element=lattice type=modelname=Xe sc 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: -0.130804 Iterations: 25 Function evaluations: 51 {'basis_atoms': '[[0.0 0.0 0.0]]', 'repeat': 0, 'cohesive_energy': 0.1308035027621308, 'space_group': 'Pm-3m', 'element': 'Xe', 'lattice_constant': 2.6655300110578537, 'wyckoff_code': '1a', 'crystal_structure': 'sc', 'iterations': 25, 'warnflag': 0, 'species': 'Xe', 'func_calls': 51}