element:
Hf
lattice type:
sc
modelname:
MEAM_LAMMPS_HuangLiuDuan_2021_HfNbTaTiZr__MO_893505888031_001

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

Optimization terminated successfully.
         Current function value: -5.896212
         Iterations: 28
         Function evaluations: 57
{'lattice_constant': 2.95339535176754, 'cohesive_energy': 5.8962120171964045, 'element': 'Hf', 'species': 'Hf', 'crystal_structure': 'sc', 'space_group': 'Pm-3m', 'wyckoff_code': '1a', 'basis_atoms': '[[0.0 0.0 0.0]]', 'iterations': 28, 'func_calls': 57, 'warnflag': 0, 'repeat': 0}