element(s):
['C']
AFLOW prototype label:
A_hP4_194_bc
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4677', '3.3769097']
model name:
DUNN_WenTadmor_2019v3_C__MO_714772088128_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 8.3332]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:28:33      -32.338415         0.195684
BFGS:    1 15:28:33      -32.339764         0.166337
BFGS:    2 15:28:33      -32.342988         0.170547
BFGS:    3 15:28:33      -32.343628         0.171692
BFGS:    4 15:28:33      -32.350692         0.207563
BFGS:    5 15:28:33      -32.358316         0.298064
BFGS:    6 15:28:33      -32.367670         0.356483
BFGS:    7 15:28:33      -32.379228         0.384769
BFGS:    8 15:28:33      -32.392786         0.392142
BFGS:    9 15:28:33      -32.407819         0.387806
BFGS:   10 15:28:33      -32.423614         0.379268
BFGS:   11 15:28:34      -32.439169         0.373362
BFGS:   12 15:28:34      -32.453263         0.368090
BFGS:   13 15:28:34      -32.464353         0.349041
BFGS:   14 15:28:34      -32.472302         0.274271
BFGS:   15 15:28:34      -32.478740         0.139073
BFGS:   16 15:28:34      -32.484216         0.101886
BFGS:   17 15:28:34      -32.489107         0.095305
BFGS:   18 15:28:34      -32.491715         0.171111
BFGS:   19 15:28:34      -32.492109         0.185867
BFGS:   20 15:28:34      -32.492367         0.199619
BFGS:   21 15:28:34      -32.492499         0.196119
BFGS:   22 15:28:34      -32.494116         0.100631
BFGS:   23 15:28:34      -32.494688         0.031852
BFGS:   24 15:28:34      -32.494810         0.001756
BFGS:   25 15:28:34      -32.494811         0.000222
BFGS:   26 15:28:35      -32.494811         0.000003
BFGS:   27 15:28:35      -32.494811         0.000000
BFGS:   28 15:28:35      -32.494811         0.000000
Minimization converged after 28 steps.
Maximum force component: 5.654106600828043e-31 eV/Angstrom
Maximum stress component: 1.67866002957372e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[1.08145480e-36 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 1.22667693e-35 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.457405129015107, 7.776556088506929e-19, 1.0803809950199932e-32], [-1.2287025645075536, 2.128175269117259, 2.1605285099161035e-32], [3.042692346739599e-32, 8.783529029021567e-32, 6.633453097734553]])
forces =  [[-2.42318854e-31  1.39902856e-31 -3.40681759e-33]
 [ 1.61545903e-31 -1.39902856e-31  3.40681759e-33]
 [-1.61545903e-31 -5.11218423e-50 -7.10225275e-64]
 [ 5.65410660e-31 -2.79805712e-31 -1.06503094e-63]]
stress =  [-1.48078211e-11 -1.48078211e-11  1.67866003e-11  5.82079286e-33
 -2.21801998e-32  3.34488189e-28]
energy per atom =  -0.8099775865049432
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0