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 10:51:51      -88.423763         0.400317
BFGS:    1 10:51:51      -88.433333         0.273288
BFGS:    2 10:51:51      -88.437920         0.246576
BFGS:    3 10:51:51      -88.439006         0.227401
BFGS:    4 10:51:52      -88.445197         0.097654
BFGS:    5 10:51:52      -88.446057         0.034764
BFGS:    6 10:51:52      -88.446168         0.007319
BFGS:    7 10:51:52      -88.446170         0.002444
BFGS:    8 10:51:52      -88.446170         0.000546
BFGS:    9 10:51:53      -88.446170         0.000514
BFGS:   10 10:51:53      -88.446171         0.000169
BFGS:   11 10:51:53      -88.446171         0.000041
BFGS:   12 10:51:53      -88.446171         0.000001
BFGS:   13 10:51:53      -88.446171         0.000000
BFGS:   14 10:51:53      -88.446171         0.000000
Minimization converged after 14 steps.
Maximum force component: 2.6150294429871945e-10 eV/Angstrom
Maximum stress component: 1.2358298912289964e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.84053076e-35 2.01332661e-35 1.87500000e-01]
 [1.80217901e-35 4.06740797e-35 6.87500000e-01]
 [0.00000000e+00 9.41840765e-36 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([[2.5212787152215577, -5.029586949868455e-21, 1.8433223307608623e-39], [-1.2606393576107788, 2.18349141740286, -9.81676267833599e-38], [2.1838052493755186e-37, -1.8247024759314482e-37, 12.351692703273644]])
forces =  [[ 1.65744851e-31 -1.43539251e-31 -1.10969289e-10]
 [ 1.65744851e-31  2.87078503e-31 -1.10969289e-10]
 [ 1.03590532e-31 -3.22963316e-31  1.10969289e-10]
 [ 2.48617276e-31 -1.43539251e-31  1.10969289e-10]
 [ 7.56210882e-31 -1.61481658e-31 -1.53670493e-10]
 [-4.97234552e-31  5.74157005e-31 -1.53670493e-10]
 [-7.45851829e-31  1.43539251e-31  1.53670493e-10]
 [ 8.49442360e-31 -6.10041818e-31  1.53670493e-10]
 [ 8.28724254e-32 -3.86332061e-48  2.61502944e-10]
 [ 4.14362127e-31 -1.43539251e-31  2.61502944e-10]
 [ 8.28724254e-32 -3.58848128e-31 -2.61502944e-10]
 [-4.62342706e-48  3.86315529e-48 -2.61502944e-10]]
stress =  [-1.23582989e-11 -1.23582989e-11 -1.23524217e-11  9.74992357e-33
  1.68873630e-32 -4.78451088e-28]
energy per atom =  -7.3705142097444485
===============================================