element(s):
['C']
AFLOW prototype label:
A_hP12_194_e2f
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5213', '4.9308293', '0.18686753', '0.52076763', '0.6450971']
model name:
DUNN_WenTadmor_2019v2_C__MO_956135237832_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.18686753]
 [0.33333333 0.66666667 0.52076763]
 [0.33333333 0.66666667 0.6450971 ]]
spacegroup =  194
cell =  [[2.5213, 0, 0], [-1.26065, 2.1835098505617, 0], [0, 0, 12.4321]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:46:09      -93.935097         0.390772
BFGS:    1 17:46:10      -93.943928         0.373592
BFGS:    2 17:46:10      -93.973753         0.234037
BFGS:    3 17:46:11      -93.978320         0.198426
BFGS:    4 17:46:11      -93.994592         0.100288
BFGS:    5 17:46:11      -93.996560         0.041240
BFGS:    6 17:46:11      -93.996787         0.034722
BFGS:    7 17:46:12      -93.996809         0.032792
BFGS:    8 17:46:12      -93.996985         0.018197
BFGS:    9 17:46:13      -93.997104         0.021550
BFGS:   10 17:46:13      -93.997211         0.019160
BFGS:   11 17:46:13      -93.997261         0.011284
BFGS:   12 17:46:14      -93.997285         0.006986
BFGS:   13 17:46:14      -93.997293         0.002774
BFGS:   14 17:46:14      -93.997295         0.001016
BFGS:   15 17:46:15      -93.997295         0.000655
BFGS:   16 17:46:15      -93.997295         0.000311
BFGS:   17 17:46:15      -93.997295         0.000082
BFGS:   18 17:46:16      -93.997295         0.000018
BFGS:   19 17:46:16      -93.997295         0.000003
BFGS:   20 17:46:16      -93.997295         0.000000
BFGS:   21 17:46:17      -93.997295         0.000000
Minimization converged after 21 steps.
Maximum force component: 5.540488463579973e-09 eV/Angstrom
Maximum stress component: 1.1507115704468399e-09 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 1.73326948e-35 1.86126166e-01]
 [5.42746864e-35 0.00000000e+00 6.86126166e-01]
 [1.66539590e-35 0.00000000e+00 8.13873834e-01]
 [0.00000000e+00 0.00000000e+00 3.13873834e-01]
 [3.33333333e-01 6.66666667e-01 5.20960840e-01]
 [6.66666667e-01 3.33333333e-01 2.09608400e-02]
 [6.66666667e-01 3.33333333e-01 4.79039160e-01]
 [3.33333333e-01 6.66666667e-01 9.79039160e-01]
 [3.33333333e-01 6.66666667e-01 6.45907405e-01]
 [6.66666667e-01 3.33333333e-01 1.45907405e-01]
 [6.66666667e-01 3.33333333e-01 3.54092595e-01]
 [3.33333333e-01 6.66666667e-01 8.54092595e-01]]
cellpar =  Cell([[2.5463868813684543, 2.9737031404578862e-18, 2.1007479387637916e-38], [-1.2731934406842271, 2.2052357271285117, 5.135505752991868e-38], [2.076427564353683e-37, 2.525640007586457e-37, 12.479464071592199]])
forces =  [[-1.41239887e-31  9.96659728e-32  4.49518286e-09]
 [ 1.25546566e-31 -7.24843438e-32  4.49518286e-09]
 [ 1.04622139e-31 -3.62421719e-32 -4.49518286e-09]
 [-6.80043901e-32  4.53027149e-32 -4.49518286e-09]
 [ 5.23110693e-32 -1.81210860e-32  1.86080990e-09]
 [-1.46470994e-31  3.74887070e-47  1.86080990e-09]
 [ 5.75421762e-32 -6.34238009e-32 -1.86080990e-09]
 [ 7.32354970e-32  1.81210860e-32 -1.86080990e-09]
 [-8.98637570e-47  7.24843438e-32 -5.54048846e-09]
 [ 1.04622139e-32 -1.81210860e-32 -5.54048846e-09]
 [-1.04622139e-32 -1.81210860e-32  5.54048846e-09]
 [-2.09244277e-31  7.24843438e-32  5.54048846e-09]]
stress =  [ 1.15071157e-09  1.15071157e-09 -5.09818610e-10 -8.36057750e-33
 -2.06870643e-33  2.81856595e-26]
energy per atom =  -0.47054942648117404
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0