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 16:28:34      -29.397603         1.977666
BFGS:    1 16:28:34      -29.522659         0.985455
BFGS:    2 16:28:34      -29.567089         0.099452
BFGS:    3 16:28:34      -29.567622         0.014007
BFGS:    4 16:28:34      -29.567633         0.000304
BFGS:    5 16:28:34      -29.567633         0.000001
BFGS:    6 16:28:34      -29.567633         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.588164302837542e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nb', 'Nb', 'Nb', 'Nb']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.90349508e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.87388557e-36]]
cellpar =  Cell([[4.188427773306933, 9.508238770755224e-37, 1.6337041717315338e-32], [3.0262788191746925e-36, 4.188427773306933, 1.786240991304733e-19], [1.736320352148716e-32, 1.786240991304721e-19, 4.188427773306933]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.58816430e-12  3.58816430e-12  3.58816430e-12 -1.59347035e-27
  2.74459604e-35 -1.21891996e-50]
energy per atom =  -7.391908349577185
===============================================
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