element=lattice type=modelname=Ba sc Pair_Morse_Shifted_GirifalcoWeizer_HighCutoff_Ba__MO_676977998912_001 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -1.486486 Iterations: 31 Function evaluations: 63 {'basis_atoms': '[[0.0 0.0 0.0]]', 'repeat': 0, 'cohesive_energy': 1.4864858394752412, 'space_group': 'Pm-3m', 'element': 'Ba', 'lattice_constant': 4.128730595111847, 'wyckoff_code': '1a', 'crystal_structure': 'sc', 'iterations': 31, 'warnflag': 0, 'species': 'Ba', 'func_calls': 63}