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 15:59:37      -97.001587        0.1413
BFGS:    1 15:59:37      -97.003114        0.1414
BFGS:    2 15:59:37      -97.032754        0.1384
BFGS:    3 15:59:37      -97.047755        0.2817
BFGS:    4 15:59:37      -97.052439        0.3515
BFGS:    5 15:59:38      -97.059754        0.3676
BFGS:    6 15:59:38      -97.077329        0.2816
BFGS:    7 15:59:38      -97.089283        0.1146
BFGS:    8 15:59:38      -97.092011        0.0102
BFGS:    9 15:59:38      -97.092035        0.0054
BFGS:   10 15:59:38      -97.092040        0.0024
BFGS:   11 15:59:38      -97.092042        0.0003
BFGS:   12 15:59:39      -97.092042        0.0000
BFGS:   13 15:59:39      -97.092042        0.0000
BFGS:   14 15:59:39      -97.092042        0.0000
BFGS:   15 15:59:39      -97.092042        0.0000
Minimization converged after 15 steps.
Maximum force component: 2.0619366522392002e-10 eV/Angstrom
Maximum stress component: 1.1695761908151542e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[3.04528619e-31 5.89051984e-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 2.77200934e-31 2.17421259e-01]
 [1.00000000e+00 1.01640342e-30 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, 3.5278226410583135e-18, 8.709892398866947e-18], [-1.2322714340466223, 2.1343567324845103, 1.7421106642598742e-17], [1.264760463056072e-16, 3.6512706939894815e-16, 35.79565658311307]])
forces =  [[-8.43748994e-30 -2.62916585e-29 -2.54085229e-12]
 [ 8.49149498e-30  2.61981190e-29  2.54085229e-12]
 [-8.74464362e-30 -2.61981190e-29 -2.54085229e-12]
 [ 8.54550002e-30  2.61045795e-29  2.54085229e-12]
 [-8.49149498e-30 -2.61981190e-29 -2.54085229e-12]
 [ 8.68051263e-30  2.61981190e-29  2.54085229e-12]
 [-7.28431764e-28 -2.10324089e-27 -2.06193665e-10]
 [ 7.28539774e-28  2.10335782e-27  2.06193665e-10]
 [-7.28445265e-28 -2.10321751e-27 -2.06193665e-10]
 [ 7.28512771e-28  2.10328766e-27  2.06193665e-10]
 [-7.28539774e-28 -2.10324089e-27 -2.06193665e-10]
 [ 7.28539774e-28  2.10324089e-27  2.06193665e-10]]
stress =  [-1.16957619e-10 -1.16957619e-10  1.17900286e-11 -2.28554227e-27
  6.18825815e-27  2.59443518e-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