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 16:33:01      -62.567497         0.413029
BFGS:    1 16:33:01      -62.575892         0.385715
BFGS:    2 16:33:01      -62.601366         0.186019
BFGS:    3 16:33:01      -62.604250         0.162281
BFGS:    4 16:33:02      -62.611413         0.053668
BFGS:    5 16:33:02      -62.611900         0.053257
BFGS:    6 16:33:02      -62.612023         0.048339
BFGS:    7 16:33:02      -62.612117         0.043991
BFGS:    8 16:33:02      -62.612248         0.037445
BFGS:    9 16:33:02      -62.612369         0.032240
BFGS:   10 16:33:03      -62.612522         0.030957
BFGS:   11 16:33:03      -62.612655         0.019641
BFGS:   12 16:33:03      -62.612718         0.009774
BFGS:   13 16:33:03      -62.612729         0.001979
BFGS:   14 16:33:03      -62.612730         0.000278
BFGS:   15 16:33:04      -62.612730         0.000042
BFGS:   16 16:33:04      -62.612730         0.000004
BFGS:   17 16:33:04      -62.612730         0.000000
BFGS:   18 16:33:04      -62.612730         0.000000
BFGS:   19 16:33:04      -62.612730         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.0497189707368243e-09 eV/Angstrom
Maximum stress component: 2.583592012557107e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 0.00000000e+00 9.38568827e-02]
 [1.41074308e-35 1.94247572e-36 5.93856883e-01]
 [7.92728547e-36 0.00000000e+00 9.06143117e-01]
 [5.76463224e-36 1.48144354e-35 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, 4.419058901356187e-19, -9.69128043513336e-37], [-1.2733107746872911, 2.205438955583275, 3.018269155602216e-37], [6.461792415199061e-36, 3.260228338971554e-35, 8.320535357956798]])
forces =  [[-5.18254287e-32  5.35187637e-32  1.04971897e-09]
 [-1.43868698e-32  2.49187894e-32  1.04971897e-09]
 [-8.37054242e-32  1.81227559e-32 -1.04971897e-09]
 [-8.37054242e-32 -4.11311950e-45 -1.04971897e-09]
 [ 9.94001912e-32  8.15524018e-32  5.96613068e-10]
 [-1.67410848e-31  1.08736536e-31  5.96613068e-10]
 [-1.25558136e-31  7.24910238e-32 -5.96613068e-10]
 [ 2.09263560e-32  3.62455119e-32 -5.96613068e-10]]
stress =  [ 2.58359201e-11  2.58359201e-11 -8.91532824e-12  7.16478019e-33
 -1.24097633e-32 -5.10551585e-27]
energy per atom =  -0.464032764771396
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0