element(s):
['C']
AFLOW prototype label:
A_cI16_206_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4773', '0.15607601']
model name:
hNN_WenTadmor_2019Grx_C__MO_421038499185_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.15607601 0.15607601 0.15607601]]
spacegroup =  206
cell =  [[4.4773, 0, 0], [0, 4.4773, 0], [0, 0, 4.4773]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:50:31     -110.390296         3.910460
BFGS:    1 15:50:31     -111.030359         3.646999
BFGS:    2 15:50:31     -111.621325         3.375026
BFGS:    3 15:50:31     -112.160568         3.087758
BFGS:    4 15:50:31     -112.644623         2.779070
BFGS:    5 15:50:31     -113.069598         2.444483
BFGS:    6 15:50:31     -113.431726         2.081876
BFGS:    7 15:50:31     -113.727950         1.691924
BFGS:    8 15:50:32     -113.956382         1.278029
BFGS:    9 15:50:32     -114.116430         0.845761
BFGS:   10 15:50:32     -114.208612         0.401764
BFGS:   11 15:50:32     -114.234580         0.034143
BFGS:   12 15:50:32     -114.234755         0.009535
BFGS:   13 15:50:32     -114.234769         0.000077
BFGS:   14 15:50:32     -114.234769         0.000001
BFGS:   15 15:50:32     -114.234769         0.000000
BFGS:   16 15:50:32     -114.234769         0.000000
Minimization converged after 16 steps.
Maximum force component: 4.2927326144107246e-11 eV/Angstrom
Maximum stress component: 3.9582345901160944e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.16360136 0.16360136 0.16360136]
 [0.33639864 0.83639864 0.66360136]
 [0.83639864 0.66360136 0.33639864]
 [0.66360136 0.33639864 0.83639864]
 [0.66360136 0.66360136 0.66360136]
 [0.83639864 0.33639864 0.16360136]
 [0.33639864 0.16360136 0.83639864]
 [0.16360136 0.83639864 0.33639864]
 [0.83639864 0.83639864 0.83639864]
 [0.66360136 0.16360136 0.33639864]
 [0.16360136 0.33639864 0.66360136]
 [0.33639864 0.66360136 0.16360136]
 [0.33639864 0.33639864 0.33639864]
 [0.16360136 0.66360136 0.83639864]
 [0.66360136 0.83639864 0.16360136]
 [0.83639864 0.16360136 0.66360136]]
cellpar =  Cell([[4.629497724777632, 5.872727744941356e-37, 0.0], [5.978398774465007e-37, 4.629497724777632, 0.0], [0.0, 0.0, 4.629497724777632]])
forces =  [[ 4.29273261e-11  4.29273261e-11  4.29273261e-11]
 [-4.29273261e-11 -4.29273261e-11  4.29273261e-11]
 [-4.29273261e-11  4.29273261e-11 -4.29273261e-11]
 [ 4.29273261e-11 -4.29273261e-11 -4.29273261e-11]
 [ 4.29273261e-11  4.29273261e-11  4.29273261e-11]
 [-4.29273261e-11 -4.29273261e-11  4.29273261e-11]
 [-4.29273261e-11  4.29273261e-11 -4.29273261e-11]
 [ 4.29273261e-11 -4.29273261e-11 -4.29273261e-11]
 [-4.29273261e-11 -4.29273261e-11 -4.29273261e-11]
 [ 4.29273261e-11  4.29273261e-11 -4.29273261e-11]
 [ 4.29273261e-11 -4.29273261e-11  4.29273261e-11]
 [-4.29273261e-11  4.29273261e-11  4.29273261e-11]
 [-4.29273261e-11 -4.29273261e-11 -4.29273261e-11]
 [ 4.29273261e-11  4.29273261e-11 -4.29273261e-11]
 [ 4.29273261e-11 -4.29273261e-11  4.29273261e-11]
 [-4.29273261e-11  4.29273261e-11  4.29273261e-11]]
stress =  [ 3.95823459e-12  3.95823459e-12  3.95823459e-12  0.00000000e+00
  0.00000000e+00 -7.66816495e-33]
energy per atom =  -5.845529226809674
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0