element(s):
['Si']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4673']
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 =  227
cell =  [[5.4673, 0, 0], [0, 5.4673, 0], [0, 0, 5.4673]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:43:37      -37.018573         0.232254
BFGS:    1 15:43:37      -37.020813         0.217782
BFGS:    2 15:43:37      -37.036742         0.007461
BFGS:    3 15:43:37      -37.036760         0.000228
BFGS:    4 15:43:37      -37.036760         0.000000
BFGS:    5 15:43:37      -37.036760         0.000000
Minimization converged after 5 steps.
Maximum force component: 3.7940958968892345e-31 eV/Angstrom
Maximum stress component: 3.4528627851443956e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.15551782e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.432005203969996, -2.3636798061492897e-35, -2.830035975596531e-34], [-1.4654735238757326e-33, 5.432005203969996, -3.4088248151149183e-19], [3.2943195202230156e-34, -3.4088248151149193e-19, 5.432005203969996]])
forces =  [[ 9.48523974e-32 -1.95284348e-32 -2.23182112e-32]
 [-1.29724602e-31  6.69546335e-32  1.59017255e-31]
 [-4.46364223e-32  1.11591056e-32 -1.11591056e-32]
 [-1.11591056e-31 -2.65028758e-31  8.92728446e-32]
 [ 1.67386584e-31  3.79409590e-31 -2.23182112e-32]
 [ 1.56227478e-31  8.92728446e-32  6.69546335e-32]
 [ 1.25539938e-31 -5.02159751e-32  5.57955279e-33]
 [ 1.56227478e-31  7.81137391e-32  6.69546335e-32]]
stress =  [-3.45286279e-13 -3.45286279e-13 -3.45286279e-13 -3.28308960e-30
  1.41624263e-62  1.90356779e-62]
energy per atom =  -4.629595012705602
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0