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 15:21:44      -32.338415        0.1957
BFGS:    1 15:21:44      -32.339764        0.1663
BFGS:    2 15:21:44      -32.342988        0.1705
BFGS:    3 15:21:44      -32.343628        0.1717
BFGS:    4 15:21:44      -32.350692        0.2076
BFGS:    5 15:21:44      -32.358316        0.2981
BFGS:    6 15:21:44      -32.367670        0.3565
BFGS:    7 15:21:44      -32.379228        0.3848
BFGS:    8 15:21:44      -32.392786        0.3921
BFGS:    9 15:21:44      -32.407819        0.3878
BFGS:   10 15:21:44      -32.423614        0.3793
BFGS:   11 15:21:44      -32.439169        0.3734
BFGS:   12 15:21:44      -32.453263        0.3681
BFGS:   13 15:21:45      -32.464353        0.3490
BFGS:   14 15:21:45      -32.472302        0.2743
BFGS:   15 15:21:45      -32.478740        0.1391
BFGS:   16 15:21:45      -32.484216        0.1019
BFGS:   17 15:21:45      -32.489107        0.0953
BFGS:   18 15:21:45      -32.491715        0.1711
BFGS:   19 15:21:45      -32.492109        0.1859
BFGS:   20 15:21:45      -32.492367        0.1996
BFGS:   21 15:21:45      -32.492499        0.1961
BFGS:   22 15:21:45      -32.494116        0.1006
BFGS:   23 15:21:45      -32.494688        0.0319
BFGS:   24 15:21:45      -32.494810        0.0018
BFGS:   25 15:21:45      -32.494811        0.0002
BFGS:   26 15:21:45      -32.494811        0.0000
BFGS:   27 15:21:45      -32.494811        0.0000
BFGS:   28 15:21:45      -32.494811        0.0000
Minimization converged after 28 steps.
Maximum force component: 1.6154590288080136e-31 eV/Angstrom
Maximum stress component: 1.6786951525203203e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[1.94035025e-35 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 0.00000000e+00 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.4574051290151093, -1.197334147459771e-18, 1.0997326368705089e-31], [-1.2287025645075547, 2.128175269117261, 2.1994491179898973e-31], [3.0972674907098394e-31, 8.941116146312968e-31, 6.633453097734561]])
forces =  [[-3.18139744e-64 -9.18398044e-64 -6.81363518e-33]
 [ 1.61545903e-31 -1.39902856e-31  6.81363518e-33]
 [ 3.18139744e-64  9.18398044e-64  6.81363518e-33]
 [ 1.21159427e-31 -6.99514279e-32 -6.81363518e-33]]
stress =  [-1.48022122e-11 -1.48022122e-11  1.67869515e-11  1.39699028e-32
 -8.06552724e-33 -2.39808469e-27]
energy per atom =  -0.8099775865049414
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0