element=lattice type=modelname=Ba sc LennardJones612_UniversalShifted__MO_959249795837_002

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

Optimization terminated successfully.
         Current function value: -10.403835
         Iterations: 31
         Function evaluations: 63
{'basis_atoms': '[[0.0 0.0 0.0]]', 'repeat': 0, 'cohesive_energy': 10.403835341836965, 'space_group': 'Pm-3m', 'element': 'Ba', 'lattice_constant': 4.093481823801994, 'wyckoff_code': '1a', 'crystal_structure': 'sc', 'iterations': 31, 'warnflag': 0, 'species': 'Ba', 'func_calls': 63}