element=lattice type=modelname=Ba sc Pair_Morse_Shifted_GirifalcoWeizer_MedCutoff_Ba__MO_229241184339_001 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -1.464019 Iterations: 31 Function evaluations: 62 {'basis_atoms': '[[0.0 0.0 0.0]]', 'repeat': 0, 'cohesive_energy': 1.4640190236034687, 'space_group': 'Pm-3m', 'element': 'Ba', 'lattice_constant': 4.1417351067066193, 'wyckoff_code': '1a', 'crystal_structure': 'sc', 'iterations': 31, 'warnflag': 0, 'species': 'Ba', 'func_calls': 62}