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:
Tersoff_LAMMPS_ErhartAlbe_2005SiII_SiC__MO_408791041969_004
==== 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 14:33:17      -88.455451        0.4237
BFGS:    1 14:33:17      -88.465358        0.2749
BFGS:    2 14:33:17      -88.469941        0.2513
BFGS:    3 14:33:17      -88.471032        0.2310
BFGS:    4 14:33:17      -88.477774        0.0599
BFGS:    5 14:33:17      -88.478315        0.0289
BFGS:    6 14:33:17      -88.478336        0.0029
BFGS:    7 14:33:17      -88.478336        0.0027
BFGS:    8 14:33:17      -88.478337        0.0025
BFGS:    9 14:33:17      -88.478338        0.0013
BFGS:   10 14:33:17      -88.478338        0.0009
BFGS:   11 14:33:17      -88.478338        0.0002
BFGS:   12 14:33:17      -88.478338        0.0000
BFGS:   13 14:33:17      -88.478338        0.0000
BFGS:   14 14:33:17      -88.478338        0.0000
BFGS:   15 14:33:17      -88.478338        0.0000
Minimization converged after 15 steps.
Maximum force component: 8.30743598911887e-10 eV/Angstrom
Maximum stress component: 1.0225603478806856e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.96876344e-35 0.00000000e+00 1.87500000e-01]
 [0.00000000e+00 0.00000000e+00 6.87500000e-01]
 [5.78919070e-37 6.58609087e-35 8.12500000e-01]
 [1.51196153e-35 6.60153390e-36 3.12500000e-01]
 [3.33333333e-01 6.66666667e-01 5.20833333e-01]
 [6.66666667e-01 3.33333333e-01 2.08333333e-02]
 [6.66666667e-01 3.33333333e-01 4.79166667e-01]
 [3.33333333e-01 6.66666667e-01 9.79166667e-01]
 [3.33333333e-01 6.66666667e-01 6.45833333e-01]
 [6.66666667e-01 3.33333333e-01 1.45833333e-01]
 [6.66666667e-01 3.33333333e-01 3.54166667e-01]
 [3.33333333e-01 6.66666667e-01 8.54166667e-01]]
cellpar =  Cell([[2.521344333394174, 1.6798348868337523e-20, -1.3306487554134275e-37], [-1.260672166697087, 2.1835482444072953, -2.616795645738288e-37], [-9.572858239148264e-37, -1.574463321133573e-36, 12.35201416521639]])
forces =  [[ 1.65749164e-31  2.15663819e-47 -1.69184389e-10]
 [-3.72935620e-31  7.17714935e-32 -1.69184389e-10]
 [-3.31498329e-31  2.87085974e-31  1.69184389e-10]
 [ 1.24311873e-31 -7.17714935e-32  1.69184389e-10]
 [ 1.65749164e-31 -4.88819595e-47  3.83498484e-10]
 [ 5.38684784e-31  2.15314481e-31  3.83498484e-10]
 [ 1.65749164e-31 -5.74171948e-31 -3.83498484e-10]
 [ 1.24311873e-31 -2.15314481e-31 -3.83498484e-10]
 [-4.14372911e-31  1.43542987e-31 -8.30743599e-10]
 [ 2.48623747e-31 -1.43542987e-31 -8.30743599e-10]
 [ 3.72935620e-31 -2.15314481e-31  8.30743599e-10]
 [-4.14372911e-31  2.87085974e-31  8.30743599e-10]]
stress =  [-2.76693771e-11 -2.76693771e-11 -1.02256035e-10 -8.53073908e-33
  2.11081050e-33 -1.76510756e-27]
energy per atom =  -7.373194853240455
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0