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_2019v2_C__MO_956135237832_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      -32.328512        0.1808
BFGS:    1 15:21:44      -32.329274        0.1815
BFGS:    2 15:21:44      -32.333879        0.1908
BFGS:    3 15:21:44      -32.335427        0.2062
BFGS:    4 15:21:44      -32.342751        0.3076
BFGS:    5 15:21:44      -32.349372        0.4295
BFGS:    6 15:21:44      -32.362644        0.4214
BFGS:    7 15:21:44      -32.378293        0.3888
BFGS:    8 15:21:44      -32.394921        0.3575
BFGS:    9 15:21:44      -32.411773        0.3359
BFGS:   10 15:21:44      -32.427454        0.3361
BFGS:   11 15:21:44      -32.441233        0.3218
BFGS:   12 15:21:44      -32.452154        0.2140
BFGS:   13 15:21:45      -32.456027        0.0179
BFGS:   14 15:21:45      -32.456111        0.0089
BFGS:   15 15:21:45      -32.456149        0.0034
BFGS:   16 15:21:45      -32.456159        0.0017
BFGS:   17 15:21:45      -32.456164        0.0013
BFGS:   18 15:21:45      -32.456214        0.0080
BFGS:   19 15:21:45      -32.456486        0.0277
BFGS:   20 15:21:45      -32.457510        0.0644
BFGS:   21 15:21:45      -32.461378        0.1323
BFGS:   22 15:21:45      -32.469968        0.2049
BFGS:   23 15:21:45      -32.480877        0.2202
BFGS:   24 15:21:45      -32.490923        0.1736
BFGS:   25 15:21:45      -32.497564        0.0859
BFGS:   26 15:21:45      -32.499645        0.0113
BFGS:   27 15:21:45      -32.499654        0.0005
BFGS:   28 15:21:45      -32.499654        0.0000
BFGS:   29 15:21:45      -32.499654        0.0000
BFGS:   30 15:21:46      -32.499654        0.0000
Minimization converged after 30 steps.
Maximum force component: 4.982663233786123e-31 eV/Angstrom
Maximum stress component: 2.116772804052947e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[8.27739347e-36 1.46452209e-35 2.50000000e-01]
 [9.24130171e-36 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([[2.4623857857796327, 2.921235131998436e-18, 1.0086847846268984e-30], [-1.2311928928898164, 2.1324886444028683, 2.0173730086652146e-30], [2.8057750380826115e-30, 8.099575883283406e-30, 6.502030632439331]])
forces =  [[-4.85619970e-31  2.80372820e-31 -3.33932147e-33]
 [ 4.98266323e-31 -3.02276947e-31  3.33932147e-33]
 [ 1.44099364e-63  4.15979086e-63  3.33932147e-33]
 [-1.44099364e-63 -4.15979086e-63 -3.33932147e-33]]
stress =  [-2.11677280e-11 -2.11677280e-11  4.83806672e-12 -2.52230990e-40
  1.64238160e-32  2.44505611e-27]
energy per atom =  -0.762355015213326
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0