element:
Hf
lattice type:
fcc
modelname:
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: -111.915403
         Iterations: 32
         Function evaluations: 65
{'lattice_constant': 4.813423126935959, 'cohesive_energy': 27.97885078926022, 'element': 'Hf', 'species': 'Hf" "Hf" "Hf" "Hf', 'crystal_structure': 'fcc', 'space_group': 'Fm-3m', 'wyckoff_code': '4a', '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]]', 'iterations': 32, 'func_calls': 65, 'warnflag': 0, 'repeat': 0}