element=lattice type=modelname=Tl 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: -4.804194 Iterations: 30 Function evaluations: 62 {'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': 4.804194173805893, 'space_group': 'Fm-3m', 'element': 'Tl', 'lattice_constant': 3.9882648587226868, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 30, 'warnflag': 0, 'species': 'Tl" "Tl" "Tl" "Tl', 'func_calls': 62}