element(s):
['Si']
AFLOW prototype label:
A_cI12_229_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.7307']
model name:
Tersoff_LAMMPS_Tersoff_1989_SiGe__MO_350526375143_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.25 0.   0.5 ]]
spacegroup =  229
cell =  [[6.7307, 0, 0], [0, 6.7307, 0], [0, 0, 6.7307]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:34:53      -51.386566        0.0574
BFGS:    1 17:34:53      -51.386704        0.0550
BFGS:    2 17:34:53      -51.388258        0.0004
BFGS:    3 17:34:53      -51.388258        0.0000
BFGS:    4 17:34:53      -51.388258        0.0000
Minimization converged after 4 steps.
Maximum force component: 3.6286307581493236e-30 eV/Angstrom
Maximum stress component: 8.819452191915378e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.50000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 7.32481762e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [1.67408455e-41 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 2.50000000e-01 5.00000000e-01]
 [4.01780296e-41 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 0.00000000e+00]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 3.66285517e-33 7.50000000e-01]
 [5.00000000e-01 3.66252040e-33 2.50000000e-01]]
cellpar =  Cell([[6.741744305697131, -1.0969975472960709e-32, 1.622562320096723e-33], [-1.462669230703669e-32, 6.741744305697131, -2.2672795242769706e-20], [1.716022877194587e-32, -2.2672795242884323e-20, 6.741744305697131]])
forces =  [[-9.78137585e-31  6.92486786e-33 -6.92486786e-32]
 [ 1.60656934e-30 -2.79463778e-52  8.30984143e-32]
 [-6.92486786e-32 -3.62863076e-30  1.38497357e-32]
 [ 6.92486786e-32  2.52065190e-30 -7.61735464e-32]
 [ 6.61806342e-63 -9.69481500e-32  2.51740587e-30]
 [-9.20615723e-63 -1.38497357e-32 -3.62863076e-30]
 [ 6.92486786e-32 -1.16337780e-30 -2.76994714e-32]
 [-6.92486786e-32  1.86625189e-30  1.38497357e-32]
 [ 4.15492072e-31 -2.07746036e-32  8.30984143e-32]
 [-5.53989429e-31  2.07746036e-32 -8.30984143e-32]
 [-1.38497357e-32 -9.69481500e-32 -2.24365719e-30]
 [-2.76994714e-32 -1.38497357e-32  1.27417569e-30]]
stress =  [-8.81945219e-12 -8.81945219e-12 -8.81945219e-12  7.47232536e-28
  5.42382791e-34 -8.02515041e-50]
energy per atom =  -4.282354840807461
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0