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_Tersoff_1989_SiGe__MO_350526375143_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 10:53:15       -7.609085         2.539070
BFGS:    1 10:53:15       -7.678407         2.725691
BFGS:    2 10:53:15       -7.716027         0.579001
BFGS:    3 10:53:15       -7.730815         0.342648
BFGS:    4 10:53:15       -7.735353         0.055528
BFGS:    5 10:53:15       -7.735397         0.006515
BFGS:    6 10:53:15       -7.735397         0.000107
BFGS:    7 10:53:16       -7.735397         0.000002
BFGS:    8 10:53:16       -7.735397         0.000000
Minimization converged after 8 steps.
Maximum force component: 5.095425866571749e-32 eV/Angstrom
Maximum stress component: 6.543672888384071e-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([[2.755933720822666, -1.6437683485155964e-18, 5.757591143802862e-38], [-1.377966860411333, 2.3867086133786004, 1.3260012543643259e-37], [5.903755760094158e-36, 1.0411608416083781e-35, 4.500437366028255]])
forces =  [[-4.52926744e-32  1.96123033e-32  3.79937256e-70]
 [ 5.09542587e-32 -2.94184550e-32 -9.24744834e-70]]
stress =  [ 3.31150569e-10  3.31150569e-10 -6.54367289e-10  7.65024032e-33
  2.65012099e-33 -3.58599822e-26]
energy per atom =  -3.867698524668782
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0