element(s):
['C']
AFLOW prototype label:
A_hP8_194_ef
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5188', '3.2978799', '0.092975226', '0.65554043']
model name:
DUNN_WenTadmor_2019v1_C__MO_584345505904_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.09297523]
 [0.33333333 0.66666667 0.65554043]]
spacegroup =  194
cell =  [[2.5188, 0, 0], [-1.2594, 2.1813447870522, 0], [0, 0, 8.3067]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:40:59      -60.517902        0.8679
BFGS:    1 15:40:59      -60.546991        0.8779
BFGS:    2 15:40:59      -60.665766        0.8961
BFGS:    3 15:41:00      -60.779753        0.7979
BFGS:    4 15:41:00      -60.868083        0.5198
BFGS:    5 15:41:00      -60.911344        0.1662
BFGS:    6 15:41:00      -60.916153        0.0611
BFGS:    7 15:41:00      -60.916701        0.0470
BFGS:    8 15:41:01      -60.917195        0.0613
BFGS:    9 15:41:01      -60.917438        0.0586
BFGS:   10 15:41:01      -60.917555        0.0486
BFGS:   11 15:41:01      -60.917649        0.0377
BFGS:   12 15:41:01      -60.917812        0.0278
BFGS:   13 15:41:02      -60.918050        0.0291
BFGS:   14 15:41:02      -60.918266        0.0187
BFGS:   15 15:41:02      -60.918353        0.0088
BFGS:   16 15:41:02      -60.918370        0.0055
BFGS:   17 15:41:02      -60.918374        0.0025
BFGS:   18 15:41:03      -60.918375        0.0008
BFGS:   19 15:41:03      -60.918375        0.0002
BFGS:   20 15:41:03      -60.918375        0.0000
BFGS:   21 15:41:03      -60.918375        0.0000
BFGS:   22 15:41:03      -60.918375        0.0000
BFGS:   23 15:41:03      -60.918375        0.0000
Minimization converged after 23 steps.
Maximum force component: 3.992091974401807e-09 eV/Angstrom
Maximum stress component: 3.457715548557454e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 0.00000000e+00 9.45310778e-02]
 [1.86412526e-35 0.00000000e+00 5.94531078e-01]
 [2.45096746e-35 4.23286025e-35 9.05468922e-01]
 [3.87131215e-35 3.54293472e-35 4.05468922e-01]
 [3.33333333e-01 6.66666667e-01 6.55049997e-01]
 [6.66666667e-01 3.33333333e-01 1.55049997e-01]
 [6.66666667e-01 3.33333333e-01 3.44950003e-01]
 [3.33333333e-01 6.66666667e-01 8.44950003e-01]]
cellpar =  Cell([[2.5981722043897846, -7.060510908313233e-18, 4.1884831945491813e-38], [-1.2990861021948923, 2.2500831324081685, 4.605799769440546e-38], [8.616683492257351e-37, 1.590456247053437e-36, 8.466445664281977]])
forces =  [[ 2.13499633e-32 -3.69792212e-32 -1.35149084e-09]
 [-6.40498899e-32 -2.53708996e-46 -1.35149084e-09]
 [-2.13499633e-32  3.69792212e-32  1.35149084e-09]
 [ 6.40498899e-32  2.53708996e-46  1.35149084e-09]
 [-4.26999266e-32 -7.49814675e-46 -3.99209197e-09]
 [-1.93484042e-32  3.35124192e-32 -3.99209197e-09]
 [-6.40498899e-32  7.50104766e-46  3.99209197e-09]
 [-2.13499633e-32  3.69792212e-32  3.99209197e-09]]
stress =  [-3.45771555e-10 -3.45771555e-10 -9.29502976e-11  4.14095722e-32
 -2.39078277e-32  8.46848003e-26]
energy per atom =  -0.22044635398994128
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0