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 09:34:59      -97.026557         0.204040
BFGS:    1 09:35:00      -97.028752         0.187274
BFGS:    2 09:35:00      -97.052986         0.138111
BFGS:    3 09:35:01      -97.056837         0.211179
BFGS:    4 09:35:01      -97.061248         0.274843
BFGS:    5 09:35:02      -97.075661         0.399933
BFGS:    6 09:35:02      -97.090538         0.466666
BFGS:    7 09:35:03      -97.108082         0.454802
BFGS:    8 09:35:05      -97.134045         0.263717
BFGS:    9 09:35:06      -97.144792         0.046970
BFGS:   10 09:35:07      -97.145379         0.003531
BFGS:   11 09:35:07      -97.145409         0.001234
BFGS:   12 09:35:07      -97.145410         0.000338
BFGS:   13 09:35:08      -97.145410         0.000184
BFGS:   14 09:35:09      -97.145410         0.000048
BFGS:   15 09:35:10      -97.145410         0.000011
BFGS:   16 09:35:12      -97.145410         0.000001
BFGS:   17 09:35:13      -97.145410         0.000000
BFGS:   18 09:35:15      -97.145410         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.0208853882572892e-09 eV/Angstrom
Maximum stress component: 4.091774085128562e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.72000251e-31 3.23960635e-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 2.77680544e-31 2.16583690e-01]
 [1.00000000e+00 8.79321723e-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([[2.4602861050158364, 1.0287458756088832e-17, 2.779135793259199e-17], [-1.2301430525079182, 2.130670267521584, 5.0496690272897826e-17], [4.072096387176842e-16, 1.0908221017916337e-15, 35.6157238699089]])
forces =  [[ 1.05582885e-26  2.82825410e-26  9.23445547e-10]
 [-1.05584940e-26 -2.82828212e-26 -9.23445547e-10]
 [ 1.05581301e-26  2.82825410e-26  9.23445547e-10]
 [-1.05583053e-26 -2.82829612e-26 -9.23445547e-10]
 [ 1.05580897e-26  2.82824010e-26  9.23445547e-10]
 [-1.05583053e-26 -2.82827745e-26 -9.23445547e-10]
 [ 1.16721606e-26  3.12674909e-26  1.02088539e-09]
 [-1.16716485e-26 -3.12673975e-26 -1.02088539e-09]
 [ 1.16720528e-26  3.12674909e-26  1.02088539e-09]
 [-1.16718372e-26 -3.12673041e-26 -1.02088539e-09]
 [ 1.16721067e-26  3.12673975e-26  1.02088539e-09]
 [-1.16719349e-26 -3.12671874e-26 -1.02088539e-09]]
stress =  [ 4.09177409e-11  4.09177409e-11 -5.59549436e-12  4.04354023e-27
 -9.28596491e-27  8.47227556e-27]
energy per atom =  -0.781725537336829
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0