element=lattice type=modelname=Ba bcc Pair_Morse_Shifted_GirifalcoWeizer_LowCutoff_Ba__MO_143487634619_001

Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms

Optimization terminated successfully.
         Current function value: -1.617074
         Iterations: 33
         Function evaluations: 67
{'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 1.6170744379324733, 'space_group': 'Im-3m', 'element': 'Ba', 'lattice_constant': 5.079688251018524, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 33, 'warnflag': 0, 'species': 'Ba" "Ba', 'func_calls': 67}