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_1990_SiC__MO_444207127575_000
==== 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 15:47:44      -51.386566         0.057448
BFGS:    1 15:47:44      -51.386704         0.055035
BFGS:    2 15:47:44      -51.388258         0.000446
BFGS:    3 15:47:44      -51.388258         0.000003
BFGS:    4 15:47:44      -51.388258         0.000000
Minimization converged after 4 steps.
Maximum force component: 1.094129121732048e-30 eV/Angstrom
Maximum stress component: 8.819279787548897e-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 7.32526398e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [7.62828933e-50 5.00000000e-01 2.50000000e-01]
 [2.79265307e-49 5.00000000e-01 7.50000000e-01]
 [2.41123860e-49 2.50000000e-01 5.00000000e-01]
 [1.14424340e-49 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 3.66240881e-33 7.50000000e-01]
 [5.00000000e-01 3.66263199e-33 2.50000000e-01]]
cellpar =  Cell([[6.741744305697131, -2.2363254484176236e-41, 2.7283992033354067e-32], [-3.6387737204567104e-41, 6.741744305697131, -3.2718357286630517e-20], [1.406574251761375e-32, -3.2718357286726843e-20, 6.741744305697131]])
forces =  [[-1.93896300e-31  9.52169331e-33  3.46243393e-33]
 [-1.38497357e-31 -1.06037039e-32 -6.92486786e-33]
 [ 2.07746036e-32 -5.04106112e-53  1.03873018e-32]
 [-6.92486786e-33 -1.69659263e-31  3.46243393e-33]
 [ 8.65608482e-33  2.07746036e-32  6.92486786e-32]
 [ 5.19365089e-33 -6.92486786e-33  3.18543922e-31]
 [-6.92486786e-33  9.27932293e-31  1.73121696e-33]
 [ 1.38497357e-32 -1.09412912e-30  5.30991772e-51]
 [-1.38497357e-31  1.03873018e-32 -6.92486786e-33]
 [-5.53989429e-32  2.52053056e-53 -5.19365089e-33]
 [ 3.46243393e-33  1.47153442e-32  8.03284672e-31]
 [ 1.38497357e-32 -6.92486786e-33 -7.19753453e-31]]
stress =  [-8.81927979e-12 -8.81927979e-12 -8.81927979e-12  9.79136024e-28
  1.80794264e-34 -2.00721954e-50]
energy per atom =  -4.282354840807463
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0