element:
Zr
lattice type:
sc
modelname:
MEAM_LAMMPS_KimLee_2008_CuZr__MO_407917731909_000

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

Optimization terminated successfully.
         Current function value: -4.771848
         Iterations: 28
         Function evaluations: 56
{'lattice_constant': 3.0344442054629326, 'cohesive_energy': 4.771847834437293, 'element': 'Zr', 'species': 'Zr', 'crystal_structure': 'sc', 'space_group': 'Pm-3m', 'wyckoff_code': '1a', 'basis_atoms': '[[0.0 0.0 0.0]]', 'iterations': 28, 'func_calls': 56, 'warnflag': 0, 'repeat': 0}