element(s):
['Si']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.868']
model name:
Tersoff_LAMMPS_Tersoff_1989_SiGe__MO_350526375143_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.868, 0, 0], [0, 3.868, 0], [0, 0, 3.868]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:17:07      -15.371123        2.0209
BFGS:    1 17:17:07      -15.470543        0.1314
BFGS:    2 17:17:07      -15.470845        0.0319
BFGS:    3 17:17:07      -15.470863        0.0003
BFGS:    4 17:17:07      -15.470863        0.0000
BFGS:    5 17:17:07      -15.470863        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2813201521754724e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.8974825725745865, -1.449499400153254e-32, -2.8072487204279845e-33], [1.0764414833918288e-33, 3.8974825725745865, -7.960671577495312e-20], [-4.563201701881544e-34, -7.960671577495141e-20, 3.8974825725745865]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.28132015e-12  1.28132015e-12  1.28132015e-12 -1.15889664e-28
  2.26524748e-33 -2.15430287e-49]
energy per atom =  -3.867715818960212
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0