element(s):
['C']
AFLOW prototype label:
A_hP16_194_e3f
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5225', '6.564004', '0.046707512', '0.57788125', '0.67123739', '0.29740429']
model name:
DUNN_WenTadmor_2019v3_C__MO_714772088128_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.04670751]
 [0.33333333 0.66666667 0.07788125]
 [0.33333333 0.66666667 0.17123739]
 [0.33333333 0.66666667 0.79740429]]
spacegroup =  194
cell =  [[2.5225, 0, 0], [-1.26125, 2.1845490810462, 0], [0, 0, 16.5577]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:49:27     -127.754717         0.478844
BFGS:    1 16:49:27     -127.769254         0.450058
BFGS:    2 16:49:27     -127.803113         0.315376
BFGS:    3 16:49:28     -127.808746         0.268878
BFGS:    4 16:49:28     -127.821587         0.168631
BFGS:    5 16:49:29     -127.827562         0.110121
BFGS:    6 16:49:29     -127.829478         0.043136
BFGS:    7 16:49:29     -127.829729         0.045638
BFGS:    8 16:49:30     -127.829878         0.049159
BFGS:    9 16:49:30     -127.830123         0.049424
BFGS:   10 16:49:30     -127.830424         0.041922
BFGS:   11 16:49:31     -127.830727         0.033688
BFGS:   12 16:49:31     -127.830992         0.033660
BFGS:   13 16:49:31     -127.831230         0.030479
BFGS:   14 16:49:32     -127.831405         0.016682
BFGS:   15 16:49:32     -127.831486         0.013783
BFGS:   16 16:49:33     -127.831509         0.008117
BFGS:   17 16:49:33     -127.831514         0.003483
BFGS:   18 16:49:33     -127.831516         0.000842
BFGS:   19 16:49:34     -127.831516         0.000382
BFGS:   20 16:49:34     -127.831516         0.000142
BFGS:   21 16:49:35     -127.831516         0.000078
BFGS:   22 16:49:35     -127.831516         0.000024
BFGS:   23 16:49:35     -127.831516         0.000004
BFGS:   24 16:49:36     -127.831516         0.000001
BFGS:   25 16:49:36     -127.831516         0.000000
BFGS:   26 16:49:36     -127.831516         0.000000
Minimization converged after 26 steps.
Maximum force component: 6.270130536852141e-09 eV/Angstrom
Maximum stress component: 1.2917638179471403e-09 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[3.89440738e-35 9.46579358e-36 4.68087883e-02]
 [0.00000000e+00 3.06587447e-36 5.46808788e-01]
 [0.00000000e+00 0.00000000e+00 9.53191212e-01]
 [1.54770668e-35 0.00000000e+00 4.53191212e-01]
 [3.33333333e-01 6.66666667e-01 7.82976290e-02]
 [6.66666667e-01 3.33333333e-01 5.78297629e-01]
 [6.66666667e-01 3.33333333e-01 9.21702371e-01]
 [3.33333333e-01 6.66666667e-01 4.21702371e-01]
 [3.33333333e-01 6.66666667e-01 1.72332640e-01]
 [6.66666667e-01 3.33333333e-01 6.72332640e-01]
 [6.66666667e-01 3.33333333e-01 8.27667360e-01]
 [3.33333333e-01 6.66666667e-01 3.27667360e-01]
 [3.33333333e-01 6.66666667e-01 7.97939662e-01]
 [6.66666667e-01 3.33333333e-01 2.97939662e-01]
 [6.66666667e-01 3.33333333e-01 2.02060338e-01]
 [3.33333333e-01 6.66666667e-01 7.02060338e-01]]
cellpar =  Cell([[2.512534256367123, -2.1238040104921603e-18, -6.799052363484654e-34], [-1.2562671281835616, 2.1759184938925724, -1.3598100965657626e-33], [-4.444935393148861e-33, -1.2830314980420226e-32, 16.38747847810295]])
forces =  [[ 2.21153499e-43 -1.43041419e-31 -8.15346728e-10]
 [-3.09693757e-32 -1.25161242e-31 -8.15346728e-10]
 [-2.01300942e-31  4.47004436e-32  8.15346728e-10]
 [ 8.25850020e-32  1.43041419e-31  8.15346728e-10]
 [ 2.06462505e-32 -3.57603548e-32 -3.84220006e-09]
 [-4.12925010e-32  7.15207097e-32 -3.84220006e-09]
 [-3.30340008e-31 -3.00818900e-42  3.84220006e-09]
 [ 2.47755006e-31 -3.00818948e-42  3.84220006e-09]
 [-2.68401256e-31  1.78801774e-31  2.57535537e-09]
 [ 2.06462505e-31 -7.15207097e-32  2.57535537e-09]
 [ 1.44523753e-31 -1.78801774e-31 -2.57535537e-09]
 [-2.83885944e-31  2.05622040e-31 -2.57535537e-09]
 [ 3.92278759e-31 -2.50322484e-31  6.27013054e-09]
 [-2.89047507e-31  2.14562129e-31  6.27013054e-09]
 [-1.65170004e-31  1.43041419e-31 -6.27013054e-09]
 [ 2.78724382e-31 -1.96681952e-31 -6.27013054e-09]]
stress =  [-2.63749228e-10 -2.63749228e-10  1.29176382e-09 -2.94974435e-32
  8.05609782e-40 -1.03321978e-25]
energy per atom =  -0.6757444809274151
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0