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_2019v2_C__MO_956135237832_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 15:48:51      -62.567497         0.413029
BFGS:    1 15:48:51      -62.575892         0.385715
BFGS:    2 15:48:51      -62.601366         0.186019
BFGS:    3 15:48:52      -62.604250         0.162281
BFGS:    4 15:48:52      -62.611413         0.053668
BFGS:    5 15:48:52      -62.611900         0.053257
BFGS:    6 15:48:52      -62.612023         0.048339
BFGS:    7 15:48:53      -62.612117         0.043991
BFGS:    8 15:48:53      -62.612248         0.037445
BFGS:    9 15:48:53      -62.612369         0.032240
BFGS:   10 15:48:53      -62.612522         0.030957
BFGS:   11 15:48:54      -62.612655         0.019641
BFGS:   12 15:48:54      -62.612718         0.009774
BFGS:   13 15:48:55      -62.612729         0.001979
BFGS:   14 15:48:55      -62.612730         0.000278
BFGS:   15 15:48:55      -62.612730         0.000042
BFGS:   16 15:48:55      -62.612730         0.000004
BFGS:   17 15:48:56      -62.612730         0.000000
BFGS:   18 15:48:56      -62.612730         0.000000
BFGS:   19 15:48:56      -62.612730         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.049712030596088e-09 eV/Angstrom
Maximum stress component: 2.583991258070148e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.15110549e-35 1.63037374e-35 9.38568827e-02]
 [9.14260486e-36 0.00000000e+00 5.93856883e-01]
 [0.00000000e+00 0.00000000e+00 9.06143117e-01]
 [0.00000000e+00 0.00000000e+00 4.06143117e-01]
 [3.33333333e-01 6.66666667e-01 6.54391967e-01]
 [6.66666667e-01 3.33333333e-01 1.54391967e-01]
 [6.66666667e-01 3.33333333e-01 3.45608033e-01]
 [3.33333333e-01 6.66666667e-01 8.45608033e-01]]
cellpar =  Cell([[2.5466215493745823, 4.489830359183905e-18, -5.895743976620967e-37], [-1.2733107746872911, 2.205438955583275, -2.1775473770183225e-37], [-1.4656954504734698e-36, -4.604944432916048e-36, 8.320535357956803]])
forces =  [[ 3.50516464e-31 -1.35920670e-31  1.04971203e-09]
 [-9.71113710e-32 -6.73939987e-32  1.04971203e-09]
 [-2.09263560e-32  1.81227559e-31 -1.04971203e-09]
 [ 1.67410848e-31 -1.44982048e-31 -1.04971203e-09]
 [-3.40053286e-32  1.58574115e-31  5.96620119e-10]
 [ 2.61579451e-32  2.71841339e-32  5.96620119e-10]
 [-8.37054242e-32  3.30047822e-46 -5.96620119e-10]
 [-1.41252903e-31 -4.53068899e-32 -5.96620119e-10]]
stress =  [ 2.58399126e-11  2.58399126e-11 -8.90981652e-12  7.61257896e-33
  1.31853735e-32 -6.04904055e-27]
energy per atom =  -0.46403276477139244
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0