element(s):
['Si']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.6864', '1.708383']
model name:
Tersoff_LAMMPS_ErhartAlbe_2005SiII_SiC__MO_408791041969_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.6864, 0, 0], [-1.3432, 2.3264906447265, 0], [0, 0, 4.5894]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:10:03       -7.791522         2.407879
BFGS:    1 14:10:04       -7.944771         1.012085
BFGS:    2 14:10:04       -7.963071         1.175861
BFGS:    3 14:10:04       -7.971840         0.375808
BFGS:    4 14:10:04       -7.976423         0.145418
BFGS:    5 14:10:04       -7.977789         0.015178
BFGS:    6 14:10:04       -7.977795         0.002219
BFGS:    7 14:10:04       -7.977796         0.000153
BFGS:    8 14:10:04       -7.977796         0.000002
BFGS:    9 14:10:04       -7.977796         0.000000
BFGS:   10 14:10:04       -7.977796         0.000000
Minimization converged after 10 steps.
Maximum force component: 3.780179144766761e-32 eV/Angstrom
Maximum stress component: 4.6446853662044625e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.7766216066963456, -1.9737549102416955e-17, 5.057103441085301e-37], [-1.3883108033481728, 2.4046248480957995, -8.834205138896879e-36], [-4.813744466291784e-35, -1.5320021070524811e-34, 4.600268507360467]])
forces =  [[-3.56505246e-34  6.17485200e-34  3.78017914e-32]
 [ 4.90194714e-34 -8.49042150e-34 -3.78017914e-32]]
stress =  [ 2.03339261e-11  2.03339261e-11 -4.64468537e-11 -3.71422914e-34
  6.43323358e-34  6.92300828e-27]
energy per atom =  -3.9888977526562384
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0