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_2019v2_C__MO_956135237832_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 15:06:41      -97.001587         0.141273
BFGS:    1 15:06:41      -97.003114         0.141378
BFGS:    2 15:06:41      -97.032754         0.138362
BFGS:    3 15:06:41      -97.047755         0.281690
BFGS:    4 15:06:42      -97.052439         0.351502
BFGS:    5 15:06:42      -97.059754         0.367644
BFGS:    6 15:06:42      -97.077329         0.281568
BFGS:    7 15:06:42      -97.089283         0.114559
BFGS:    8 15:06:42      -97.092011         0.010153
BFGS:    9 15:06:42      -97.092035         0.005357
BFGS:   10 15:06:42      -97.092040         0.002373
BFGS:   11 15:06:42      -97.092042         0.000312
BFGS:   12 15:06:43      -97.092042         0.000038
BFGS:   13 15:06:43      -97.092042         0.000002
BFGS:   14 15:06:43      -97.092042         0.000000
BFGS:   15 15:06:43      -97.092042         0.000000
Minimization converged after 15 steps.
Maximum force component: 2.062443197598734e-10 eV/Angstrom
Maximum stress component: 1.1695660813691021e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.90657462e-31 5.31301789e-31 4.49268388e-01]
 [0.00000000e+00 1.03900403e-16 5.50731612e-01]
 [6.66666667e-01 3.33333333e-01 7.82601721e-01]
 [6.66666667e-01 3.33333333e-01 8.84064945e-01]
 [3.33333333e-01 6.66666667e-01 1.15935055e-01]
 [3.33333333e-01 6.66666667e-01 2.17398279e-01]
 [1.14897458e-17 2.94525992e-31 2.17421259e-01]
 [1.00000000e+00 9.47103190e-31 7.82578741e-01]
 [6.66666667e-01 3.33333333e-01 5.50754592e-01]
 [6.66666667e-01 3.33333333e-01 1.15912074e-01]
 [3.33333333e-01 6.66666667e-01 8.84087926e-01]
 [3.33333333e-01 6.66666667e-01 4.49245408e-01]]
cellpar =  Cell([[2.4645428680932446, 5.2290674267919887e-20, 8.709892289975968e-18], [-1.2322714340466223, 2.134356732484511, 1.7421106424803133e-17], [1.2647604472440531e-16, 3.651270648341821e-16, 35.795656583112994]])
forces =  [[-8.74031887e-30 -2.64799283e-29 -2.59599058e-12]
 [ 9.87442476e-30  2.60122309e-29  2.59599058e-12]
 [-9.87442476e-30 -2.61993099e-29 -2.59599058e-12]
 [ 9.38837938e-30  2.68540862e-29  2.59599058e-12]
 [-8.79432392e-30 -2.63863888e-29 -2.59599058e-12]
 [ 9.92842980e-30  2.59186914e-29  2.59599058e-12]
 [-7.28394711e-28 -2.10394464e-27 -2.06244320e-10]
 [ 7.28664736e-28  2.10366402e-27  2.06244320e-10]
 [-7.28664736e-28 -2.10385110e-27 -2.06244320e-10]
 [ 7.28664736e-28  2.10385110e-27  2.06244320e-10]
 [-7.28772746e-28 -2.10385110e-27 -2.06244320e-10]
 [ 7.28610731e-28  2.10375756e-27  2.06244320e-10]]
stress =  [-1.16956608e-10 -1.16956608e-10  1.17897994e-11 -2.28548953e-27
  6.18814227e-27 -1.60918730e-26]
energy per atom =  -0.728444998321289
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0