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_2019v1_C__MO_584345505904_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 09:41:30      -61.489940         2.295059
BFGS:    1 09:41:31      -61.660775         0.853673
BFGS:    2 09:41:31      -61.680212         0.813551
BFGS:    3 09:41:31      -61.731538         0.646239
BFGS:    4 09:41:31      -61.758476         0.461222
BFGS:    5 09:41:32      -61.768268         0.410762
BFGS:    6 09:41:32      -61.777271         0.456528
BFGS:    7 09:41:32      -61.795322         0.471942
BFGS:    8 09:41:32      -61.813894         0.452877
BFGS:    9 09:41:32      -61.832139         0.411454
BFGS:   10 09:41:33      -61.849041         0.351192
BFGS:   11 09:41:33      -61.863274         0.275541
BFGS:   12 09:41:33      -61.873442         0.186369
BFGS:   13 09:41:33      -61.878099         0.082004
BFGS:   14 09:41:33      -61.878368         0.063279
BFGS:   15 09:41:34      -61.878652         0.075424
BFGS:   16 09:41:34      -61.878993         0.075128
BFGS:   17 09:41:34      -61.879372         0.065387
BFGS:   18 09:41:35      -61.879663         0.043322
BFGS:   19 09:41:35      -61.879762         0.012729
BFGS:   20 09:41:35      -61.879775         0.001161
BFGS:   21 09:41:36      -61.879776         0.000510
BFGS:   22 09:41:36      -61.879776         0.000234
BFGS:   23 09:41:36      -61.879776         0.000065
BFGS:   24 09:41:37      -61.879776         0.000010
BFGS:   25 09:41:37      -61.879776         0.000002
BFGS:   26 09:41:38      -61.879776         0.000000
BFGS:   27 09:41:38      -61.879776         0.000000
BFGS:   28 09:41:38      -61.879776         0.000000
Minimization converged after 28 steps.
Maximum force component: 2.2744445679601616e-09 eV/Angstrom
Maximum stress component: 5.407470773080766e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.91986427e-01 6.34710815e-35 0.00000000e+00]
 [4.08013573e-01 1.67587957e-35 0.00000000e+00]
 [9.19864269e-02 5.00000000e-01 0.00000000e+00]
 [9.08013573e-01 5.00000000e-01 0.00000000e+00]
 [6.90379744e-01 0.00000000e+00 5.00000000e-01]
 [3.09620256e-01 0.00000000e+00 5.00000000e-01]
 [1.90379744e-01 5.00000000e-01 5.00000000e-01]
 [8.09620256e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[7.705357127671169, 1.5909178560582984e-36, 0.0], [1.453751826776739e-37, 2.8829205222057483, 0.0], [0.0, 0.0, 2.523755537406802]])
forces =  [[ 2.27444457e-09 -1.77673695e-32  0.00000000e+00]
 [-2.27444457e-09  3.55347390e-32  0.00000000e+00]
 [ 2.27444457e-09 -1.77673695e-32  0.00000000e+00]
 [-2.27444457e-09  3.55347390e-32  0.00000000e+00]
 [ 8.90858775e-10  5.10811872e-32  0.00000000e+00]
 [-8.90858775e-10  7.10694779e-32  0.00000000e+00]
 [ 8.90858775e-10  4.44184237e-32  0.00000000e+00]
 [-8.90858775e-10  6.21857932e-32  0.00000000e+00]]
stress =  [-3.11257673e-10 -5.75070383e-11  5.40747077e-10  0.00000000e+00
  0.00000000e+00  4.43899857e-33]
energy per atom =  -0.3406214340334941
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0