element(s):
['C']
AFLOW prototype label:
A_hR4_166_2c
Parameter names:
['a', 'c/a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.467734', '14.757233', '0.94637264', '0.72030293']
model name:
DUNN_WenTadmor_2019v3_C__MO_714772088128_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.44637264]
 [0.         0.         0.22030293]]
spacegroup =  166
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 36.4169]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:07:25      -97.026557         0.204040
BFGS:    1 16:07:26      -97.028752         0.187274
BFGS:    2 16:07:26      -97.052986         0.138111
BFGS:    3 16:07:26      -97.056837         0.211179
BFGS:    4 16:07:26      -97.061248         0.274843
BFGS:    5 16:07:27      -97.075661         0.399933
BFGS:    6 16:07:27      -97.090538         0.466666
BFGS:    7 16:07:27      -97.108082         0.454802
BFGS:    8 16:07:27      -97.134045         0.263717
BFGS:    9 16:07:27      -97.144792         0.046970
BFGS:   10 16:07:28      -97.145379         0.003531
BFGS:   11 16:07:28      -97.145409         0.001234
BFGS:   12 16:07:28      -97.145410         0.000338
BFGS:   13 16:07:29      -97.145410         0.000184
BFGS:   14 16:07:29      -97.145410         0.000048
BFGS:   15 16:07:29      -97.145410         0.000011
BFGS:   16 16:07:30      -97.145410         0.000001
BFGS:   17 16:07:30      -97.145410         0.000000
BFGS:   18 16:07:30      -97.145410         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.0208463051709135e-09 eV/Angstrom
Maximum stress component: 4.09178051532278e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.85120363e-31 3.70240725e-31 4.50109763e-01]
 [0.00000000e+00 1.03900403e-16 5.49890237e-01]
 [6.66666667e-01 3.33333333e-01 7.83443097e-01]
 [6.66666667e-01 3.33333333e-01 8.83223570e-01]
 [3.33333333e-01 6.66666667e-01 1.16776430e-01]
 [3.33333333e-01 6.66666667e-01 2.16556903e-01]
 [1.14897458e-17 2.08260408e-31 2.16583690e-01]
 [1.00000000e+00 9.25601813e-31 7.83416310e-01]
 [6.66666667e-01 3.33333333e-01 5.49917023e-01]
 [6.66666667e-01 3.33333333e-01 1.16749643e-01]
 [3.33333333e-01 6.66666667e-01 8.83250357e-01]
 [3.33333333e-01 6.66666667e-01 4.50082977e-01]]
cellpar =  Cell([[2.4602861050158373, 5.6579435692330925e-18, 2.779135827309821e-17], [-1.2301430525079187, 2.1306702675215834, 5.04966908914405e-17], [4.072096437068912e-16, 1.0908221151539885e-15, 35.615723869909324]])
forces =  [[ 1.05574384e-26  2.82819809e-26  9.23407430e-10]
 [-1.05576001e-26 -2.82817008e-26 -9.23407430e-10]
 [ 1.05576001e-26  2.82815140e-26  9.23407430e-10]
 [-1.05575462e-26 -2.82817942e-26 -9.23407430e-10]
 [ 1.05576001e-26  2.82815140e-26  9.23407430e-10]
 [-1.05574384e-26 -2.82817008e-26 -9.23407430e-10]
 [ 1.16717139e-26  3.12663876e-26  1.02084631e-09]
 [-1.16718757e-26 -3.12657340e-26 -1.02084631e-09]
 [ 1.16719296e-26  3.12662943e-26  1.02084631e-09]
 [-1.16719835e-26 -3.12658274e-26 -1.02084631e-09]
 [ 1.16717678e-26  3.12663876e-26  1.02084631e-09]
 [-1.16717948e-26 -3.12659674e-26 -1.02084631e-09]]
stress =  [ 4.09178052e-11  4.09178052e-11 -5.59542964e-12  4.04347935e-27
 -9.28585575e-27  1.45344399e-26]
energy per atom =  -0.7817255373368303
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0