element:
Mn
lattice type:
bcc
modelname:
MEAM_LAMMPS_ChoiKimSeol_2017_NiMn__MO_348689608050_001

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

Optimization terminated successfully.
         Current function value: -5.800000
         Iterations: 27
         Function evaluations: 55
{'lattice_constant': 2.9213923811912537, 'cohesive_energy': 2.899999968968263, 'element': 'Mn', 'species': 'Mn" "Mn', 'crystal_structure': 'bcc', 'space_group': 'Im-3m', 'wyckoff_code': '2a', 'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'iterations': 27, 'func_calls': 55, 'warnflag': 0, 'repeat': 0}