element:
Nb
lattice type:
sc
modelname:
MEAM_LAMMPS_HuangLiuDuan_2021_HfNbTaTiZr__MO_893505888031_002

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

Optimization terminated successfully.
         Current function value: -6.580642
         Iterations: 25
         Function evaluations: 52
{'lattice_constant': 2.6057485938072205, 'cohesive_energy': 6.5806416548805196, 'element': 'Nb', 'species': 'Nb', 'crystal_structure': 'sc', 'space_group': 'Pm-3m', 'wyckoff_code': '1a', 'basis_atoms': '[[0.0 0.0 0.0]]', 'iterations': 25, 'func_calls': 52, 'warnflag': 0, 'repeat': 0}