element:
Mn
lattice type:
fcc
modelname:
MEAM_LAMMPS_ChoiKimSeol_2017_CoMn__MO_808662295149_000

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

Optimization terminated successfully.
         Current function value: -11.636016
         Iterations: 30
         Function evaluations: 61
{'lattice_constant': 3.6857845187187195, 'cohesive_energy': 2.909004052582233, 'element': 'Mn', 'species': 'Mn" "Mn" "Mn" "Mn', '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': 30, 'func_calls': 61, 'warnflag': 0, 'repeat': 0}