element=lattice type=modelname=Th fcc LJ_ElliottAkerson_2015_Universal__MO_959249795837_003

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

Optimization terminated successfully.
         Current function value: -77.024448
         Iterations: 33
         Function evaluations: 68
{'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.0] [0.5 0.0 0.5] [0.0 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 19.25611193349781, 'space_group': 'Fm-3m', 'element': 'Th', 'lattice_constant': 5.666074261069298, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 33, 'warnflag': 0, 'species': 'Th" "Th" "Th" "Th', 'func_calls': 68}