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:
MEAM_LAMMPS_YangQi_2019_Nb__MO_360068930164_001
==== 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 15:20:38      -26.698892         0.227589
BFGS:    1 15:20:38      -26.700914         0.187072
BFGS:    2 15:20:38      -26.705194         0.004014
BFGS:    3 15:20:38      -26.705196         0.000063
BFGS:    4 15:20:38      -26.705196         0.000000
BFGS:    5 15:20:38      -26.705196         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.817306968626511e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nb', 'Nb', 'Nb', 'Nb']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 7.11001769e-37]]
cellpar =  Cell([[4.232430453075548, 1.504285782472202e-32, 2.9607844608677693e-33], [1.601174065532506e-32, 4.232430453075548, -5.157089660998058e-20], [3.37111588103218e-33, -5.15708966099801e-20, 4.232430453075548]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.81730697e-15  4.81730697e-15  4.81730697e-15 -3.88360280e-31
  2.86701230e-35 -2.60251375e-51]
energy per atom =  -6.676299001167287
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0