element:
Ta
lattice type:
sc
modelname:
EAM_MagneticCubic_DerletNguyenDudarev_2007_Ta__MO_261274272789_002

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

Optimization terminated successfully.
         Current function value: -6.979022
         Iterations: 26
         Function evaluations: 53
{'lattice_constant': 2.73583522439003, 'cohesive_energy': 6.97902219796539, 'element': 'Ta', 'species': 'Ta', 'crystal_structure': 'sc', 'space_group': 'Pm-3m', 'wyckoff_code': '1a', 'basis_atoms': '[[0.0 0.0 0.0]]', 'iterations': 26, 'func_calls': 53, 'warnflag': 0, 'repeat': 0}
 Potential info: Ta potential
 Atomic number:           73
 Potential info: Ta potential
 Atomic number:           73
 Potential info: Ta potential
 Atomic number:           73
 Potential info: Ta potential
 Atomic number:           73
 Potential info: Ta potential
 Atomic number:           73
 Potential info: Ta potential
 Atomic number:           73
 Potential info: Ta potential
 Atomic number:           73
 Potential info: Ta potential
 Atomic number:           73