element=lattice type=modelname=Hf bcc 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: -53.504462 Iterations: 30 Function evaluations: 61 {'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 26.752230841390848, 'space_group': 'Im-3m', 'element': 'Hf', 'lattice_constant': 3.8524080514907837, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 30, 'warnflag': 0, 'species': 'Hf" "Hf', 'func_calls': 61}