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 14:30:34      -93.935097        0.3908
BFGS:    1 14:30:35      -93.943928        0.3736
BFGS:    2 14:30:35      -93.973753        0.2340
BFGS:    3 14:30:35      -93.978320        0.1984
BFGS:    4 14:30:35      -93.994592        0.1003
BFGS:    5 14:30:36      -93.996560        0.0412
BFGS:    6 14:30:36      -93.996787        0.0347
BFGS:    7 14:30:36      -93.996809        0.0328
BFGS:    8 14:30:37      -93.996985        0.0182
BFGS:    9 14:30:37      -93.997104        0.0216
BFGS:   10 14:30:37      -93.997211        0.0192
BFGS:   11 14:30:37      -93.997261        0.0113
BFGS:   12 14:30:38      -93.997285        0.0070
BFGS:   13 14:30:38      -93.997293        0.0028
BFGS:   14 14:30:38      -93.997295        0.0010
BFGS:   15 14:30:38      -93.997295        0.0007
BFGS:   16 14:30:39      -93.997295        0.0003
BFGS:   17 14:30:39      -93.997295        0.0001
BFGS:   18 14:30:39      -93.997295        0.0000
BFGS:   19 14:30:40      -93.997295        0.0000
BFGS:   20 14:30:40      -93.997295        0.0000
BFGS:   21 14:30:40      -93.997295        0.0000
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