element(s):
['C']
AFLOW prototype label:
A_hR2_166_c
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4675532', '5.0459694', '0.83331463']
model name:
EDIP_LAMMPS_JiangMorganSzlufarska_2012_SiC__MO_667792548433_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.         0.         0.33331463]]
spacegroup =  166
cell =  [[2.4676, 0, 0], [-1.2338, 2.1370042863785, 0], [0, 0, 12.4512]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:00:23      -43.427989         2.721256
BFGS:    1 15:00:23      -43.625579         2.362361
BFGS:    2 15:00:23      -43.839057         1.908597
BFGS:    3 15:00:23      -44.007572         1.462973
BFGS:    4 15:00:23      -44.131901         1.024785
BFGS:    5 15:00:23      -44.212755         0.593360
BFGS:    6 15:00:23      -44.250778         0.168052
BFGS:    7 15:00:23      -44.254126         0.001549
BFGS:    8 15:00:23      -44.254126         0.000013
BFGS:    9 15:00:23      -44.254126         0.000013
BFGS:   10 15:00:23      -44.254126         0.000014
BFGS:   11 15:00:23      -44.254126         0.000033
BFGS:   12 15:00:23      -44.254126         0.000064
BFGS:   13 15:00:23      -44.254126         0.000109
BFGS:   14 15:00:23      -44.254126         0.000169
BFGS:   15 15:00:23      -44.254126         0.000217
BFGS:   16 15:00:23      -44.254126         0.000199
BFGS:   17 15:00:23      -44.254126         0.000098
BFGS:   18 15:00:23      -44.254126         0.000017
BFGS:   19 15:00:23      -44.254126         0.000000
BFGS:   20 15:00:23      -44.254126         0.000000
BFGS:   21 15:00:23      -44.254126         0.000000
BFGS:   22 15:00:23      -44.254126         0.000000
Minimization converged after 22 steps.
Maximum force component: 4.769027558759735e-12 eV/Angstrom
Maximum stress component: 2.3678425196640372e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C']
basis =  [[9.85097340e-33 1.09710531e-32 3.33333333e-01]
 [0.00000000e+00 1.00000000e+00 6.66666667e-01]
 [6.66666667e-01 3.33333333e-01 6.66666667e-01]
 [6.66666667e-01 3.33333333e-01 1.91344586e-11]
 [3.33333333e-01 6.66666667e-01 1.00000000e+00]
 [3.33333333e-01 6.66666667e-01 3.33333333e-01]]
cellpar =  Cell([[2.594606525491518, -9.139685306367004e-18, -4.770194886295246e-23], [-1.297303262745759, 2.246995163900531, -3.923071626163078e-18], [-2.234855438698537e-22, 4.440885635757496e-16, 12.451199483831825]])
forces =  [[-1.13795802e-31  1.69896749e-28  4.76902756e-12]
 [ 8.55988790e-35 -1.70093701e-28 -4.76902756e-12]
 [ 4.54755213e-31  1.69305893e-28  4.76902756e-12]
 [ 8.55988790e-35 -1.70093701e-28 -4.76902756e-12]
 [-8.55988790e-35  1.69699797e-28  4.76902756e-12]
 [-1.70479705e-31 -1.69896749e-28 -4.76902756e-12]]
stress =  [-2.36784252e-11 -2.36784252e-11  9.39131275e-23  8.44522477e-28
 -4.24959728e-34 -9.37763040e-28]
energy per atom =  -7.375687694255819
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0