element(s):
['Nb']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2522']
model name:
EAM_MagneticCubic_DerletNguyenDudarev_2007_Nb__MO_218026715338_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Nb']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2522, 0, 0], [0, 4.2522, 0], [0, 0, 4.2522]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:20:09      -29.397603         1.977666
BFGS:    1 15:20:09      -29.522659         0.985455
BFGS:    2 15:20:09      -29.567089         0.099452
BFGS:    3 15:20:09      -29.567622         0.014007
BFGS:    4 15:20:09      -29.567633         0.000304
BFGS:    5 15:20:09      -29.567633         0.000001
BFGS:    6 15:20:09      -29.567633         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.5938271834687905e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nb', 'Nb', 'Nb', 'Nb']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [6.53445926e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.1884277733069375, -1.814426051725095e-32, 1.17619068200163e-33], [-1.5567731241838583e-32, 4.1884277733069375, 1.8021008249401852e-19], [2.7572645602760288e-34, 1.8021008249401806e-19, 4.1884277733069375]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.59382718e-12  3.59382718e-12  3.59382718e-12 -2.94187158e-29
 -3.12973049e-62  5.81454251e-61]
energy per atom =  -7.391908349577151
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 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