element(s):
['C']
AFLOW prototype label:
A_hP16_194_e3f
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5225', '6.564004', '0.046707512', '0.57788125', '0.67123739', '0.29740429']
model name:
DUNN_WenTadmor_2019v2_C__MO_956135237832_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.04670751]
 [0.33333333 0.66666667 0.07788125]
 [0.33333333 0.66666667 0.17123739]
 [0.33333333 0.66666667 0.79740429]]
spacegroup =  194
cell =  [[2.5225, 0, 0], [-1.26125, 2.1845490810462, 0], [0, 0, 16.5577]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:49:47     -125.302170         0.380327
BFGS:    1 17:49:47     -125.311071         0.367564
BFGS:    2 17:49:48     -125.343586         0.259170
BFGS:    3 17:49:48     -125.349695         0.225089
BFGS:    4 17:49:49     -125.370138         0.183334
BFGS:    5 17:49:49     -125.378489         0.120330
BFGS:    6 17:49:50     -125.380019         0.053136
BFGS:    7 17:49:50     -125.380312         0.032701
BFGS:    8 17:49:51     -125.380458         0.022795
BFGS:    9 17:49:51     -125.380557         0.021301
BFGS:   10 17:49:52     -125.380597         0.022221
BFGS:   11 17:49:52     -125.380628         0.022668
BFGS:   12 17:49:53     -125.380662         0.021770
BFGS:   13 17:49:53     -125.380701         0.019021
BFGS:   14 17:49:54     -125.380749         0.016073
BFGS:   15 17:49:54     -125.380811         0.017980
BFGS:   16 17:49:55     -125.380876         0.013508
BFGS:   17 17:49:55     -125.380913         0.005828
BFGS:   18 17:49:56     -125.380922         0.001653
BFGS:   19 17:49:56     -125.380922         0.000219
BFGS:   20 17:49:56     -125.380922         0.000101
BFGS:   21 17:49:57     -125.380922         0.000048
BFGS:   22 17:49:57     -125.380922         0.000025
BFGS:   23 17:49:58     -125.380922         0.000008
BFGS:   24 17:49:58     -125.380922         0.000001
BFGS:   25 17:49:59     -125.380922         0.000000
BFGS:   26 17:49:59     -125.380922         0.000000
BFGS:   27 17:49:59     -125.380922         0.000000
Minimization converged after 27 steps.
Maximum force component: 1.0868707964878377e-09 eV/Angstrom
Maximum stress component: 1.1795434213886564e-10 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 =  [[3.95860039e-35 9.32381456e-35 4.67712909e-02]
 [0.00000000e+00 3.22108368e-35 5.46771291e-01]
 [0.00000000e+00 0.00000000e+00 9.53228709e-01]
 [0.00000000e+00 0.00000000e+00 4.53228709e-01]
 [3.33333333e-01 6.66666667e-01 7.81034886e-02]
 [6.66666667e-01 3.33333333e-01 5.78103489e-01]
 [6.66666667e-01 3.33333333e-01 9.21896511e-01]
 [3.33333333e-01 6.66666667e-01 4.21896511e-01]
 [3.33333333e-01 6.66666667e-01 1.71916396e-01]
 [6.66666667e-01 3.33333333e-01 6.71916396e-01]
 [6.66666667e-01 3.33333333e-01 8.28083604e-01]
 [3.33333333e-01 6.66666667e-01 3.28083604e-01]
 [3.33333333e-01 6.66666667e-01 7.97906638e-01]
 [6.66666667e-01 3.33333333e-01 2.97906638e-01]
 [6.66666667e-01 3.33333333e-01 2.02093362e-01]
 [3.33333333e-01 6.66666667e-01 7.02093362e-01]]
cellpar =  Cell([[2.546252917237206, -5.580718988029203e-19, 3.9667044407656114e-35], [-1.273126458618603, 2.2051197107876566, 7.935353826423737e-35], [2.612158340771088e-34, 7.491411970582877e-34, 16.63733474998669]])
forces =  [[-4.18466538e-32  7.24805305e-32 -1.08687080e-09]
 [ 1.04616634e-32  5.43603978e-32 -1.08687080e-09]
 [-3.13849903e-32 -5.43603978e-32  1.08687080e-09]
 [-8.36933076e-32  4.89393287e-44  1.08687080e-09]
 [ 8.36933076e-32 -7.24805305e-32 -4.59479220e-10]
 [-1.51694120e-31  8.15405968e-32 -4.59479220e-10]
 [-5.68852950e-32 -2.83127072e-32  4.59479220e-10]
 [ 9.41549710e-32 -9.06006631e-32  4.59479220e-10]
 [-2.09233269e-32  1.26169674e-44  2.80204365e-10]
 [-8.10778917e-32 -4.53003315e-33  2.80204365e-10]
 [-4.18466538e-32  3.62402652e-32 -2.80204365e-10]
 [ 8.36933076e-32 -1.26169811e-44 -2.80204365e-10]
 [ 1.04616634e-32  6.30714802e-45  1.40072621e-10]
 [ 4.18466538e-32 -1.81201326e-32  1.40072621e-10]
 [ 1.04616634e-32 -1.81201326e-32 -1.40072621e-10]
 [ 2.09233269e-32 -1.81201326e-32 -1.40072621e-10]]
stress =  [ 1.57296998e-11  1.57296998e-11 -1.17954342e-10 -7.16742656e-33
  4.29062234e-42 -4.72283569e-28]
energy per atom =  -0.47374916458669425
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0