element(s):
['C']
AFLOW prototype label:
A_oC8_65_gh
Parameter names:
['a', 'b/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:
['7.8193', '0.34531224', '0.32109012', '0.5860263', '0.68934767']
model name:
DUNN_WenTadmor_2019v2_C__MO_956135237832_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.5860263  0.         0.        ]
 [0.68934767 0.         0.5       ]]
spacegroup =  65
cell =  [[7.8193, 0, 0], [0, 2.7001, 0], [0, 0, 2.5107]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:51:30      -62.475340         1.726271
BFGS:    1 12:51:31      -62.570767         0.388441
BFGS:    2 12:51:33      -62.575594         0.356197
BFGS:    3 12:51:35      -62.588300         0.218590
BFGS:    4 12:51:37      -62.594175         0.197926
BFGS:    5 12:51:39      -62.598180         0.195627
BFGS:    6 12:51:41      -62.599771         0.184765
BFGS:    7 12:51:42      -62.601603         0.164977
BFGS:    8 12:51:44      -62.603678         0.138113
BFGS:    9 12:51:46      -62.606640         0.171841
BFGS:   10 12:51:48      -62.609883         0.154887
BFGS:   11 12:51:49      -62.612025         0.073666
BFGS:   12 12:51:51      -62.612595         0.033209
BFGS:   13 12:51:53      -62.612654         0.007176
BFGS:   14 12:51:55      -62.612656         0.004019
BFGS:   15 12:51:57      -62.612657         0.003856
BFGS:   16 12:51:58      -62.612659         0.003275
BFGS:   17 12:52:00      -62.612661         0.004619
BFGS:   18 12:52:01      -62.612663         0.003574
BFGS:   19 12:52:03      -62.612663         0.001245
BFGS:   20 12:52:04      -62.612663         0.000135
BFGS:   21 12:52:06      -62.612663         0.000007
BFGS:   22 12:52:08      -62.612663         0.000001
BFGS:   23 12:52:09      -62.612663         0.000000
BFGS:   24 12:52:11      -62.612663         0.000000
Minimization converged after 24 steps.
Maximum force component: 9.943415844583485e-09 eV/Angstrom
Maximum stress component: 1.386180405688817e-09 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.89970346e-01 1.27424047e-35 3.82107285e-36]
 [4.10029654e-01 0.00000000e+00 8.58110876e-37]
 [8.99703459e-02 5.00000000e-01 4.36069948e-36]
 [9.10029654e-01 5.00000000e-01 0.00000000e+00]
 [6.89126157e-01 0.00000000e+00 5.00000000e-01]
 [3.10873843e-01 1.17549435e-38 5.00000000e-01]
 [1.89126157e-01 5.00000000e-01 5.00000000e-01]
 [8.10873843e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[7.694700701181836, -4.5871182175251714e-37, 0.0], [1.3992438029902828e-36, 2.7550320094016696, 0.0], [0.0, 0.0, 2.493444050264684]])
forces =  [[ 9.94341584e-09  6.79167827e-32 -1.53670354e-32]
 [-9.94341584e-09 -3.39583913e-32  0.00000000e+00]
 [ 9.94341584e-09  5.94271848e-32 -7.68351770e-33]
 [-9.94341584e-09 -3.39583913e-32  0.00000000e+00]
 [-7.95212524e-09  3.39583913e-32  0.00000000e+00]
 [ 7.95212524e-09  5.09375870e-32 -1.53670354e-32]
 [-7.95212524e-09 -3.05094922e-32  0.00000000e+00]
 [ 7.95212524e-09  5.09375870e-32  0.00000000e+00]]
stress =  [-6.47384954e-10  8.30475157e-10  1.38618041e-09  0.00000000e+00
  0.00000000e+00 -9.30297944e-33]
energy per atom =  -0.46402445550390947
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0