element:
Nb
lattice type:
fcc
modelname:
MEAM_LAMMPS_LeeBaskesKim_2001_Nb__MO_802302521552_001

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

Optimization terminated successfully.
         Current function value: -29.176785
         Iterations: 31
         Function evaluations: 63
{'lattice_constant': 4.1687071621418, 'cohesive_energy': 7.294196350311355, 'element': 'Nb', 'species': 'Nb" "Nb" "Nb" "Nb', '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': 31, 'func_calls': 63, 'warnflag': 0, 'repeat': 0}