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 15:53:42      -60.483318         4.318794
BFGS:    1 15:53:42      -60.996978         1.321212
BFGS:    2 15:53:42      -61.057773         0.885825
BFGS:    3 15:53:42      -61.084546         0.403417
BFGS:    4 15:53:42      -61.093095         0.408567
BFGS:    5 15:53:42      -61.105930         0.494708
BFGS:    6 15:53:42      -61.111868         0.452677
BFGS:    7 15:53:43      -61.121320         0.334120
BFGS:    8 15:53:43      -61.133329         0.279750
BFGS:    9 15:53:43      -61.143236         0.223435
BFGS:   10 15:53:43      -61.148972         0.098733
BFGS:   11 15:53:43      -61.149843         0.088513
BFGS:   12 15:53:43      -61.150226         0.097383
BFGS:   13 15:53:43      -61.150595         0.094410
BFGS:   14 15:53:43      -61.151360         0.072686
BFGS:   15 15:53:43      -61.152076         0.053113
BFGS:   16 15:53:43      -61.152411         0.021152
BFGS:   17 15:53:43      -61.152460         0.003298
BFGS:   18 15:53:43      -61.152463         0.000307
BFGS:   19 15:53:43      -61.152463         0.000020
BFGS:   20 15:53:43      -61.152463         0.000002
BFGS:   21 15:53:43      -61.152463         0.000000
BFGS:   22 15:53:43      -61.152463         0.000000
BFGS:   23 15:53:43      -61.152463         0.000000
Minimization converged after 23 steps.
Maximum force component: 4.549006751553612e-09 eV/Angstrom
Maximum stress component: 3.332403667807191e-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 0.00000000e+00]
 [4.09336020e-01 2.33217218e-35 1.69741384e-35]
 [9.06639800e-02 5.00000000e-01 0.00000000e+00]
 [9.09336020e-01 5.00000000e-01 1.81496328e-35]
 [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([[7.998263793866838, -3.4577914013854696e-39, 0.0], [1.9114191024755308e-36, 2.629636984800619, 0.0], [0.0, 0.0, 2.4633750307719597]])
forces =  [[-4.54900675e-09  3.24127783e-32  1.21453766e-31]
 [ 4.54900675e-09 -3.24127783e-32 -6.07268830e-32]
 [-4.54900675e-09  4.05159729e-32  1.21453766e-31]
 [ 4.54900675e-09 -4.05159729e-32 -6.83177434e-32]
 [ 2.01153212e-09 -8.69621037e-49  0.00000000e+00]
 [-2.01153212e-09  8.69621037e-49 -3.03634415e-32]
 [ 2.01153212e-09  4.05159729e-33 -3.03634415e-32]
 [-2.01153212e-09 -4.05159729e-33 -3.03634415e-32]]
stress =  [-5.57703555e-11  1.44913313e-10  3.33240367e-10  0.00000000e+00
  0.00000000e+00  5.19240450e-47]
energy per atom =  -6.3499140293853875
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0