element(s):
['Si']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.6881', '0.57703982', '0.8213634']
model name:
Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.8213634 0.8213634 0.       ]]
spacegroup =  139
cell =  [[6.6881, 0, 0], [0, 6.6881, 0], [0, 0, 3.8593]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:20:36      -35.285235        0.3381
BFGS:    1 17:20:36      -35.290653        0.3511
BFGS:    2 17:20:36      -35.317300        0.3923
BFGS:    3 17:20:36      -35.335154        0.3654
BFGS:    4 17:20:36      -35.356044        0.3259
BFGS:    5 17:20:36      -35.373252        0.2379
BFGS:    6 17:20:36      -35.382546        0.0756
BFGS:    7 17:20:36      -35.383142        0.0385
BFGS:    8 17:20:36      -35.383261        0.0311
BFGS:    9 17:20:36      -35.383319        0.0274
BFGS:   10 17:20:36      -35.383385        0.0212
BFGS:   11 17:20:36      -35.383466        0.0100
BFGS:   12 17:20:36      -35.383506        0.0041
BFGS:   13 17:20:36      -35.383514        0.0009
BFGS:   14 17:20:36      -35.383514        0.0001
BFGS:   15 17:20:36      -35.383514        0.0000
BFGS:   16 17:20:36      -35.383514        0.0000
BFGS:   17 17:20:36      -35.383514        0.0000
BFGS:   18 17:20:36      -35.383514        0.0000
Minimization converged after 18 steps.
Maximum force component: 6.178573228584475e-10 eV/Angstrom
Maximum stress component: 3.4315351132059064e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.81873897 0.81873897 0.        ]
 [0.18126103 0.18126103 0.        ]
 [0.18126103 0.81873897 0.        ]
 [0.81873897 0.18126103 0.        ]
 [0.31873897 0.31873897 0.5       ]
 [0.68126103 0.68126103 0.5       ]
 [0.68126103 0.31873897 0.5       ]
 [0.31873897 0.68126103 0.5       ]]
cellpar =  Cell([[6.542934786099524, -7.83365031498906e-37, 9.300675566266133e-33], [-1.4480626457969095e-36, 6.542934786099525, -4.78466137160543e-18], [-1.5076755624483476e-32, -2.8739027060669144e-18, 3.9796865869957467]])
forces =  [[ 6.17857323e-10  6.17857323e-10 -4.51882734e-28]
 [-6.17857323e-10 -6.17857323e-10  4.51919524e-28]
 [-6.17857323e-10  6.17857323e-10 -4.51888865e-28]
 [ 6.17857323e-10 -6.17857323e-10  4.51870470e-28]
 [ 6.17857323e-10  6.17857323e-10 -4.51870470e-28]
 [-6.17857323e-10 -6.17857323e-10  4.51931787e-28]
 [-6.17857323e-10  6.17857323e-10 -4.51919524e-28]
 [ 6.17857323e-10 -6.17857323e-10  4.51870470e-28]]
stress =  [ 1.19569215e-11  1.19569215e-11 -3.43153511e-11  7.52157380e-27
  9.33929460e-44 -1.71028045e-59]
energy per atom =  -4.4229392637564775
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0