element(s):
['C']
AFLOW prototype label:
A_hP4_194_bc
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4677', '3.3769097']
model name:
DUNN_WenTadmor_2019v3_C__MO_714772088128_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 8.3332]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:53:41      -32.338415         0.195684
BFGS:    1 10:53:41      -32.339764         0.166337
BFGS:    2 10:53:42      -32.342988         0.170547
BFGS:    3 10:53:42      -32.343628         0.171692
BFGS:    4 10:53:43      -32.350692         0.207563
BFGS:    5 10:53:43      -32.358316         0.298064
BFGS:    6 10:53:43      -32.367670         0.356483
BFGS:    7 10:53:44      -32.379228         0.384769
BFGS:    8 10:53:44      -32.392786         0.392142
BFGS:    9 10:53:45      -32.407819         0.387806
BFGS:   10 10:53:45      -32.423614         0.379268
BFGS:   11 10:53:46      -32.439169         0.373362
BFGS:   12 10:53:46      -32.453263         0.368090
BFGS:   13 10:53:47      -32.464353         0.349041
BFGS:   14 10:53:47      -32.472302         0.274271
BFGS:   15 10:53:48      -32.478740         0.139073
BFGS:   16 10:53:48      -32.484216         0.101886
BFGS:   17 10:53:49      -32.489107         0.095305
BFGS:   18 10:53:49      -32.491715         0.171111
BFGS:   19 10:53:49      -32.492109         0.185867
BFGS:   20 10:53:50      -32.492367         0.199619
BFGS:   21 10:53:51      -32.492499         0.196119
BFGS:   22 10:53:51      -32.494116         0.100631
BFGS:   23 10:53:52      -32.494688         0.031852
BFGS:   24 10:53:52      -32.494810         0.001756
BFGS:   25 10:53:53      -32.494811         0.000222
BFGS:   26 10:53:53      -32.494811         0.000003
BFGS:   27 10:53:53      -32.494811         0.000000
BFGS:   28 10:53:54      -32.494811         0.000000
Minimization converged after 28 steps.
Maximum force component: 1.6154590288080136e-31 eV/Angstrom
Maximum stress component: 1.6786951525203203e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[1.94035025e-35 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 0.00000000e+00 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.4574051290151093, -1.197334147459771e-18, 1.0997326368705089e-31], [-1.2287025645075547, 2.128175269117261, 2.1994491179898973e-31], [3.0972674907098394e-31, 8.941116146312968e-31, 6.633453097734561]])
forces =  [[-3.18139744e-64 -9.18398044e-64 -6.81363518e-33]
 [ 1.61545903e-31 -1.39902856e-31  6.81363518e-33]
 [ 3.18139744e-64  9.18398044e-64  6.81363518e-33]
 [ 1.21159427e-31 -6.99514279e-32 -6.81363518e-33]]
stress =  [-1.48022122e-11 -1.48022122e-11  1.67869515e-11  1.39699028e-32
 -8.06552724e-33 -2.39808469e-27]
energy per atom =  -0.8099775865049414
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0