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_2005_SiC__MO_903987585848_005
==== 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 15:08:36       -7.836407        2.8233
BFGS:    1 15:08:36       -7.884294        1.1711
BFGS:    2 15:08:36       -7.906716        0.3410
BFGS:    3 15:08:36       -7.909061        0.0987
BFGS:    4 15:08:36       -7.909174        0.0112
BFGS:    5 15:08:36       -7.909175        0.0009
BFGS:    6 15:08:36       -7.909175        0.0000
BFGS:    7 15:08:36       -7.909175        0.0000
BFGS:    8 15:08:36       -7.909175        0.0000
Minimization converged after 8 steps.
Maximum force component: 1.0038445826736186e-31 eV/Angstrom
Maximum stress component: 1.2576063045333155e-10 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([[2.7147182672257473, -3.3342991017787633e-18, 2.674835679250256e-37], [-1.3573591336128736, 2.3510149835351695, -2.7236906366090722e-36], [1.257577351133529e-35, 3.544656629160563e-35, 4.46210860662272]])
forces =  [[-1.00384458e-31  5.79569940e-32 -7.37381372e-68]
 [ 1.00384458e-31 -5.79569940e-32  7.37381372e-68]]
stress =  [-1.25760630e-10 -1.25760630e-10 -9.88660544e-11  6.26647994e-33
  5.42693082e-33  1.70546953e-26]
energy per atom =  -3.9545876092982244
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0