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 17:37:47     -110.390296        3.9105
BFGS:    1 17:37:48     -111.030359        3.6470
BFGS:    2 17:37:48     -111.621325        3.3750
BFGS:    3 17:37:48     -112.160568        3.0878
BFGS:    4 17:37:48     -112.644623        2.7791
BFGS:    5 17:37:48     -113.069598        2.4445
BFGS:    6 17:37:48     -113.431726        2.0819
BFGS:    7 17:37:48     -113.727950        1.6919
BFGS:    8 17:37:48     -113.956382        1.2780
BFGS:    9 17:37:48     -114.116430        0.8458
BFGS:   10 17:37:48     -114.208612        0.4018
BFGS:   11 17:37:48     -114.234580        0.0341
BFGS:   12 17:37:48     -114.234755        0.0095
BFGS:   13 17:37:48     -114.234769        0.0001
BFGS:   14 17:37:48     -114.234769        0.0000
BFGS:   15 17:37:48     -114.234769        0.0000
BFGS:   16 17:37:48     -114.234769        0.0000
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