element:
Zr
lattice type:
sc
modelname:
EAM_Mendelev_2019_CuZr__MO_945018740343_000

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

Optimization terminated successfully.
         Current function value: -5.750518
         Iterations: 27
         Function evaluations: 57
{'lattice_constant': 2.8408499881625175, 'cohesive_energy': 5.7505183368954995, 'element': 'Zr', 'species': 'Zr', 'crystal_structure': 'sc', 'space_group': 'Pm-3m', 'wyckoff_code': '1a', 'basis_atoms': '[[0.0 0.0 0.0]]', 'iterations': 27, 'func_calls': 57, 'warnflag': 0, 'repeat': 0}