element=lattice type=modelname=Ba diamond Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ba__MO_229241184339_002 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -7.071151 Iterations: 35 Function evaluations: 73 {'basis_atoms': '[[0.0 0.0 0.0] [0.25 0.25 0.25] [0.5 0.5 0.0] [0.75 0.75 0.25] [0.5 0.0 0.5] [0.75 0.25 0.75] [0.0 0.5 0.5] [0.25 0.75 0.75]]', 'repeat': 0, 'cohesive_energy': 0.8838939366742165, 'space_group': 'Fd-3m', 'element': 'Ba', 'lattice_constant': 9.30429532378912, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 35, 'warnflag': 0, 'species': 'Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba', 'func_calls': 73}