element:
Zr
lattice type:
sc
modelname:
MEAM_LAMMPS_MooreBeelerDeo_2015_UZr__MO_453094726678_000

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

Optimization terminated successfully.
         Current function value: -5.473243
         Iterations: 27
         Function evaluations: 55
{'lattice_constant': 2.8175543919205666, 'cohesive_energy': 5.4732431508997585, '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': 55, 'warnflag': 0, 'repeat': 0}