element(s):
['C']
AFLOW prototype label:
A_hP8_194_ef
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5188', '3.2978799', '0.092975226', '0.65554043']
model name:
Tersoff_LAMMPS_ErhartAlbe_2005SiII_SiC__MO_408791041969_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.09297523]
 [0.33333333 0.66666667 0.65554043]]
spacegroup =  194
cell =  [[2.5188, 0, 0], [-1.2594, 2.1813447870522, 0], [0, 0, 8.3067]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:42:19      -58.962818        0.4135
BFGS:    1 15:42:19      -58.973109        0.3583
BFGS:    2 15:42:19      -58.976141        0.3214
BFGS:    3 15:42:19      -58.979056        0.2455
BFGS:    4 15:42:19      -58.984012        0.1330
BFGS:    5 15:42:19      -58.985439        0.0547
BFGS:    6 15:42:19      -58.985556        0.0042
BFGS:    7 15:42:19      -58.985558        0.0023
BFGS:    8 15:42:19      -58.985558        0.0021
BFGS:    9 15:42:19      -58.985559        0.0012
BFGS:   10 15:42:19      -58.985559        0.0007
BFGS:   11 15:42:19      -58.985559        0.0002
BFGS:   12 15:42:19      -58.985559        0.0000
BFGS:   13 15:42:19      -58.985559        0.0000
BFGS:   14 15:42:19      -58.985559        0.0000
BFGS:   15 15:42:19      -58.985559        0.0000
Minimization converged after 15 steps.
Maximum force component: 2.383132493745074e-09 eV/Angstrom
Maximum stress component: 2.58942226752663e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 9.49822681e-36 9.37500000e-02]
 [5.76843432e-36 9.79582452e-37 5.93750000e-01]
 [1.43132168e-36 0.00000000e+00 9.06250000e-01]
 [0.00000000e+00 0.00000000e+00 4.06250000e-01]
 [3.33333333e-01 6.66666667e-01 6.56250000e-01]
 [6.66666667e-01 3.33333333e-01 1.56250000e-01]
 [6.66666667e-01 3.33333333e-01 3.43750000e-01]
 [3.33333333e-01 6.66666667e-01 8.43750000e-01]]
cellpar =  Cell([[2.521344333405783, -3.27556986980023e-19, 9.364120641824842e-38], [-1.2606721667028915, 2.1835482444173486, -2.9875970334403317e-37], [-9.892953373936314e-37, 1.62110024347843e-36, 8.234676110033346]])
forces =  [[ 1.34671196e-30 -1.18422964e-30  1.93412762e-09]
 [-4.14372911e-31  7.17714935e-31  1.93412762e-09]
 [ 2.32361712e-46 -3.80757508e-46 -1.93412762e-09]
 [ 1.07736957e-30 -1.43542987e-31 -1.93412762e-09]
 [ 8.28745822e-32 -2.87085974e-31 -2.38313249e-09]
 [ 4.76528848e-31 -2.51200227e-31 -2.38313249e-09]
 [-1.65749164e-31  2.87085974e-31  2.38313249e-09]
 [ 4.97247493e-31 -2.87085974e-31  2.38313249e-09]]
stress =  [ 3.28762744e-11  3.28762744e-11 -2.58942227e-10  3.65603104e-33
 -4.34271678e-45 -1.58282868e-28]
energy per atom =  -7.373194853240443
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0