element(s):
['C']
AFLOW prototype label:
A_hP12_194_e2f
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5213', '4.9308293', '0.18686753', '0.52076763', '0.6450971']
model name:
DUNN_WenTadmor_2019v2_C__MO_956135237832_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.18686753]
 [0.33333333 0.66666667 0.52076763]
 [0.33333333 0.66666667 0.6450971 ]]
spacegroup =  194
cell =  [[2.5213, 0, 0], [-1.26065, 2.1835098505617, 0], [0, 0, 12.4321]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:54:20      -93.935097         0.390772
BFGS:    1 10:54:22      -93.943928         0.373592
BFGS:    2 10:54:25      -93.973753         0.234037
BFGS:    3 10:54:27      -93.978320         0.198426
BFGS:    4 10:54:29      -93.994592         0.100288
BFGS:    5 10:54:31      -93.996560         0.041240
BFGS:    6 10:54:34      -93.996787         0.034722
BFGS:    7 10:54:36      -93.996809         0.032792
BFGS:    8 10:54:38      -93.996985         0.018197
BFGS:    9 10:54:41      -93.997104         0.021550
BFGS:   10 10:54:43      -93.997211         0.019160
BFGS:   11 10:54:45      -93.997261         0.011284
BFGS:   12 10:54:48      -93.997285         0.006986
BFGS:   13 10:54:50      -93.997293         0.002774
BFGS:   14 10:54:52      -93.997295         0.001016
BFGS:   15 10:54:55      -93.997295         0.000655
BFGS:   16 10:54:57      -93.997295         0.000311
BFGS:   17 10:54:59      -93.997295         0.000082
BFGS:   18 10:55:01      -93.997295         0.000018
BFGS:   19 10:55:04      -93.997295         0.000003
BFGS:   20 10:55:06      -93.997295         0.000000
BFGS:   21 10:55:08      -93.997295         0.000000
Minimization converged after 21 steps.
Maximum force component: 5.540499398646571e-09 eV/Angstrom
Maximum stress component: 1.1507105938306107e-09 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[4.97114342e-36 4.48745198e-35 1.86126166e-01]
 [1.16433328e-35 9.36068498e-36 6.86126166e-01]
 [3.03353953e-36 0.00000000e+00 8.13873834e-01]
 [0.00000000e+00 0.00000000e+00 3.13873834e-01]
 [3.33333333e-01 6.66666667e-01 5.20960840e-01]
 [6.66666667e-01 3.33333333e-01 2.09608400e-02]
 [6.66666667e-01 3.33333333e-01 4.79039160e-01]
 [3.33333333e-01 6.66666667e-01 9.79039160e-01]
 [3.33333333e-01 6.66666667e-01 6.45907405e-01]
 [6.66666667e-01 3.33333333e-01 1.45907405e-01]
 [6.66666667e-01 3.33333333e-01 3.54092595e-01]
 [3.33333333e-01 6.66666667e-01 8.54092595e-01]]
cellpar =  Cell([[2.546386881368453, 1.5943954837134513e-18, 2.1825146042164253e-37], [-1.2731934406842265, 2.205235727128512, 5.621153586346425e-37], [1.3556343776049793e-36, -2.512600059446264e-36, 12.479464071592199]])
forces =  [[ 4.18488554e-32 -3.62421719e-32  4.49518674e-09]
 [-2.09244277e-32  3.62421719e-32  4.49518674e-09]
 [-4.88308604e-46  1.08726516e-31 -4.49518674e-09]
 [ 8.36977108e-32 -7.24843438e-32 -4.49518674e-09]
 [ 1.09853245e-31 -1.17787059e-31  1.86081501e-09]
 [ 6.53888366e-33 -4.75678506e-32  1.86081501e-09]
 [ 4.18488554e-32  3.74680424e-46 -1.86081501e-09]
 [ 7.84666039e-32 -2.71816289e-32 -1.86081501e-09]
 [-8.36977108e-32  1.11546498e-45 -5.54049940e-09]
 [ 2.19706491e-31 -1.81210860e-32 -5.54049940e-09]
 [ 5.23110693e-32 -9.06054298e-32  5.54049940e-09]
 [-4.18488554e-32  1.44968688e-31  5.54049940e-09]]
stress =  [ 1.15071059e-09  1.15071059e-09 -5.09820942e-10  1.22337214e-43
  4.21635364e-44  4.14557092e-25]
energy per atom =  -0.47054942648117165
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0