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:
hNN_WenTadmor_2019Grx_C__MO_421038499185_001
==== 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 09:42:45      -60.483318         4.318794
BFGS:    1 09:42:45      -60.996978         1.321212
BFGS:    2 09:42:45      -61.057773         0.885825
BFGS:    3 09:42:45      -61.084546         0.403417
BFGS:    4 09:42:45      -61.093095         0.408567
BFGS:    5 09:42:45      -61.105930         0.494708
BFGS:    6 09:42:45      -61.111868         0.452677
BFGS:    7 09:42:45      -61.121320         0.334120
BFGS:    8 09:42:45      -61.133329         0.279750
BFGS:    9 09:42:45      -61.143236         0.223435
BFGS:   10 09:42:45      -61.148972         0.098733
BFGS:   11 09:42:45      -61.149843         0.088513
BFGS:   12 09:42:45      -61.150226         0.097383
BFGS:   13 09:42:45      -61.150595         0.094410
BFGS:   14 09:42:45      -61.151360         0.072686
BFGS:   15 09:42:45      -61.152076         0.053113
BFGS:   16 09:42:46      -61.152411         0.021152
BFGS:   17 09:42:46      -61.152460         0.003298
BFGS:   18 09:42:46      -61.152463         0.000307
BFGS:   19 09:42:46      -61.152463         0.000020
BFGS:   20 09:42:46      -61.152463         0.000002
BFGS:   21 09:42:46      -61.152463         0.000000
BFGS:   22 09:42:46      -61.152463         0.000000
BFGS:   23 09:42:46      -61.152463         0.000000
Minimization converged after 23 steps.
Maximum force component: 4.549048344729028e-09 eV/Angstrom
Maximum stress component: 3.332419709796267e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.90663980e-01 0.00000000e+00 1.94809261e-35]
 [4.09336020e-01 0.00000000e+00 0.00000000e+00]
 [9.06639800e-02 5.00000000e-01 2.03552014e-35]
 [9.09336020e-01 5.00000000e-01 4.49478935e-36]
 [6.82838659e-01 0.00000000e+00 5.00000000e-01]
 [3.17161341e-01 0.00000000e+00 5.00000000e-01]
 [1.82838659e-01 5.00000000e-01 5.00000000e-01]
 [8.17161341e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[7.9982637938668395, -9.979707673713439e-37, 0.0], [2.5263657870327188e-36, 2.6296369848006185, 0.0], [0.0, 0.0, 2.4633750307719593]])
forces =  [[-4.54904834e-09  2.43095837e-32  3.79543019e-33]
 [ 4.54904834e-09  1.62063892e-32 -3.79543019e-33]
 [-4.54904834e-09  1.62063892e-32  0.00000000e+00]
 [ 4.54904834e-09 -5.67600342e-46  0.00000000e+00]
 [ 2.01155216e-09 -4.05159729e-32 -6.07268830e-32]
 [-2.01155216e-09 -6.48255566e-32  6.07268830e-32]
 [ 2.01155216e-09 -4.86191675e-32  6.07268830e-32]
 [-2.01155216e-09 -8.91351404e-32 -9.10903245e-32]]
stress =  [-5.57678500e-11  1.44914092e-10  3.33241971e-10  0.00000000e+00
  0.00000000e+00 -5.86042263e-34]
energy per atom =  -6.349914029385389
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0