element=lattice type=modelname=Th fcc LennardJones612_UniversalShifted__MO_959249795837_002 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -19.256112 Iterations: 32 Function evaluations: 65 {'basis_atoms': '[[0.0 0.0 0.0] [0.0 0.5 0.5] [0.5 0.0 0.5] [0.5 0.5 0.0]]', 'repeat': 0, 'cohesive_energy': 19.25611193349775, 'space_group': 'Fm-3m', 'element': 'Th', 'lattice_constant': 5.666074328124523, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 32, 'warnflag': 0, 'species': 'Th" "Th" "Th" "Th', 'func_calls': 65}