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 14:33:23     -127.754717        0.4788
BFGS:    1 14:33:23     -127.769254        0.4501
BFGS:    2 14:33:24     -127.803113        0.3154
BFGS:    3 14:33:24     -127.808746        0.2689
BFGS:    4 14:33:24     -127.821587        0.1686
BFGS:    5 14:33:25     -127.827562        0.1101
BFGS:    6 14:33:25     -127.829478        0.0431
BFGS:    7 14:33:25     -127.829729        0.0456
BFGS:    8 14:33:26     -127.829878        0.0492
BFGS:    9 14:33:26     -127.830123        0.0494
BFGS:   10 14:33:27     -127.830424        0.0419
BFGS:   11 14:33:27     -127.830727        0.0337
BFGS:   12 14:33:27     -127.830992        0.0337
BFGS:   13 14:33:28     -127.831230        0.0305
BFGS:   14 14:33:28     -127.831405        0.0167
BFGS:   15 14:33:28     -127.831486        0.0138
BFGS:   16 14:33:29     -127.831509        0.0081
BFGS:   17 14:33:29     -127.831514        0.0035
BFGS:   18 14:33:30     -127.831516        0.0008
BFGS:   19 14:33:30     -127.831516        0.0004
BFGS:   20 14:33:31     -127.831516        0.0001
BFGS:   21 14:33:31     -127.831516        0.0001
BFGS:   22 14:33:31     -127.831516        0.0000
BFGS:   23 14:33:32     -127.831516        0.0000
BFGS:   24 14:33:32     -127.831516        0.0000
BFGS:   25 14:33:32     -127.831516        0.0000
BFGS:   26 14:33:33     -127.831516        0.0000
Minimization converged after 26 steps.
Maximum force component: 6.2701239792306346e-09 eV/Angstrom
Maximum stress component: 1.2917657114537905e-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 =  [[1.16684402e-35 0.00000000e+00 4.68087883e-02]
 [0.00000000e+00 3.39037213e-35 5.46808788e-01]
 [0.00000000e+00 6.60348190e-35 9.53191212e-01]
 [4.49219655e-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([[2.5125342563671236, -1.1465125113609672e-18, 2.0702985695147074e-33], [-1.2562671281835618, 2.175918493892573, 4.140601424327414e-33], [1.3534621585188535e-32, 3.9072955379119257e-32, 16.387478478102945]])
forces =  [[-1.23877503e-31  7.15207097e-32 -8.15330818e-10]
 [-2.47755006e-31  2.86082839e-31 -8.15330818e-10]
 [-1.03231252e-31 -2.50322484e-31  8.15330818e-10]
 [-1.03231252e-31  1.78801774e-31  8.15330818e-10]
 [ 3.09693757e-32  1.78801774e-32 -3.84219366e-09]
 [ 8.25850020e-32 -1.43041419e-31 -3.84219366e-09]
 [ 1.44523753e-31 -3.57603548e-32  3.84219366e-09]
 [-8.25850020e-32  9.16101049e-42  3.84219366e-09]
 [ 1.23877503e-31 -7.15207097e-32  2.57534659e-09]
 [-8.25850020e-32  6.14044456e-42  2.57534659e-09]
 [ 2.06462505e-32  1.07281065e-31 -2.57534659e-09]
 [ 9.03273459e-32 -1.34101331e-32 -2.57534659e-09]
 [-1.23877503e-31  1.49499678e-41  6.27012398e-09]
 [ 8.25850020e-32 -7.15207097e-32  6.27012398e-09]
 [ 1.65170004e-31 -1.43041419e-31 -6.27012398e-09]
 [-8.25850020e-32  7.15207097e-32 -6.27012398e-09]]
stress =  [-2.63747604e-10 -2.63747604e-10  1.29176571e-09  1.20984910e-33
 -1.09766227e-33 -6.17652963e-27]
energy per atom =  -0.6757444809274169
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0