element:
Nb
lattice type:
bcc
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: -14.940634
         Iterations: 30
         Function evaluations: 61
{'lattice_constant': 3.3024269565939903, 'cohesive_energy': 7.470316792434204, 'element': 'Nb', 'species': 'Nb" "Nb', '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': 30, 'func_calls': 61, 'warnflag': 0, 'repeat': 0}