element:
Hf
lattice type:
bcc
modelname:
MEAM_LAMMPS_HuangLiuDuan_2021_HfNbTaTiZr__MO_893505888031_000

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

Optimization terminated successfully.
         Current function value: -14.405856
         Iterations: 29
         Function evaluations: 58
{'lattice_constant': 3.545989066362381, 'cohesive_energy': 7.2029278467389375, 'element': 'Hf', 'species': 'Hf" "Hf', 'crystal_structure': 'bcc', 'space_group': 'Im-3m', 'wyckoff_code': '2a', 'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'iterations': 29, 'func_calls': 58, 'warnflag': 0, 'repeat': 0}