element:
Nb
lattice type:
bcc
modelname:
EAM_MagneticCubic_DerletNguyenDudarev_2007_Nb__MO_218026715338_002

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

Optimization terminated successfully.
         Current function value: -15.140000
         Iterations: 29
         Function evaluations: 59
{'lattice_constant': 3.3007999435067177, 'cohesive_energy': 7.570000046359666, 'element': 'Nb', 'species': 'Nb" "Nb', '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': 29, 'func_calls': 59, 'warnflag': 0, 'repeat': 0}
 Potential info: Nb potential
 Atomic number:           41
 Potential info: Nb potential
 Atomic number:           41
 Potential info: Nb potential
 Atomic number:           41
 Potential info: Nb potential
 Atomic number:           41
 Potential info: Nb potential
 Atomic number:           41
 Potential info: Nb potential
 Atomic number:           41
 Potential info: Nb potential
 Atomic number:           41
 Potential info: Nb potential
 Atomic number:           41