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_Tersoff_1989_SiC__MO_171585019474_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 16:49:21      -88.423763         0.400317
BFGS:    1 16:49:21      -88.433333         0.273288
BFGS:    2 16:49:21      -88.437920         0.246576
BFGS:    3 16:49:21      -88.439006         0.227401
BFGS:    4 16:49:21      -88.445197         0.097654
BFGS:    5 16:49:21      -88.446057         0.034764
BFGS:    6 16:49:21      -88.446168         0.007319
BFGS:    7 16:49:21      -88.446170         0.002444
BFGS:    8 16:49:21      -88.446170         0.000546
BFGS:    9 16:49:21      -88.446170         0.000514
BFGS:   10 16:49:21      -88.446171         0.000169
BFGS:   11 16:49:21      -88.446171         0.000041
BFGS:   12 16:49:21      -88.446171         0.000001
BFGS:   13 16:49:21      -88.446171         0.000000
BFGS:   14 16:49:21      -88.446171         0.000000
Minimization converged after 14 steps.
Maximum force component: 2.6154291232760585e-10 eV/Angstrom
Maximum stress component: 1.2355992862779154e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.72336985e-35 3.24916377e-35 1.87500000e-01]
 [1.17551827e-35 2.52593823e-35 6.87500000e-01]
 [0.00000000e+00 0.00000000e+00 8.12500000e-01]
 [0.00000000e+00 0.00000000e+00 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([[2.5212787152215586, 1.3445484312732989e-20, 4.6639788900306097e-38], [-1.2606393576107793, 2.1834914174028612, -1.0991902195047794e-37], [4.790121193147824e-37, 2.2398031628879455e-37, 12.35169270327364]])
forces =  [[ 1.01518721e-30 -6.10041818e-31 -1.11007425e-10]
 [-6.62979403e-31  5.74157005e-31 -1.11007425e-10]
 [-6.62979403e-31  5.74157005e-31  1.11007425e-10]
 [ 5.80106978e-31 -4.30617754e-31  1.11007425e-10]
 [-6.83697510e-31 -2.51193690e-31 -1.53600764e-10]
 [-3.31489702e-31 -1.43539251e-31 -1.53600764e-10]
 [ 7.66569935e-31  1.07654439e-31  1.53600764e-10]
 [ 1.65744851e-31  1.43539251e-31  1.53600764e-10]
 [ 7.04415616e-31 -6.45926631e-31  2.61542912e-10]
 [-8.90878573e-31  3.94732941e-31  2.61542912e-10]
 [-4.97234552e-31  2.87078503e-31 -2.61542912e-10]
 [ 1.07734153e-30 -7.17696257e-31 -2.61542912e-10]]
stress =  [-1.23557473e-11 -1.23557473e-11 -1.23559929e-11 -4.87496179e-33
  3.69521171e-46 -7.46891236e-28]
energy per atom =  -7.370514209744443
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0