element=lattice type=modelname=Cs 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: -2.281406 Iterations: 31 Function evaluations: 62 {'basis_atoms': '[[0.0 0.0 0.0]]', 'repeat': 0, 'cohesive_energy': 2.2814055241696662, 'space_group': 'Pm-3m', 'element': 'Cs', 'lattice_constant': 4.645635865628719, 'wyckoff_code': '1a', 'crystal_structure': 'sc', 'iterations': 31, 'warnflag': 0, 'species': 'Cs', 'func_calls': 62}