element:
Nd
lattice type:
fcc
modelname:
MEAM_LAMMPS_KimLee_2017_MgNd__MO_059320827436_000

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

Optimization terminated successfully.
         Current function value: -13.440000
         Iterations: 32
         Function evaluations: 65
{'lattice_constant': 5.176021620631218, 'cohesive_energy': 3.3600000001244767, 'element': 'Nd', 'species': 'Nd" "Nd" "Nd" "Nd', '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': 32, 'func_calls': 65, 'warnflag': 0, 'repeat': 0}