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_1988T2_Si__MO_245095684871_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 16:34:11      -53.019527         0.197298
BFGS:    1 16:34:11      -53.021161         0.189379
BFGS:    2 16:34:11      -53.038855         0.045440
BFGS:    3 16:34:11      -53.039901         0.001377
BFGS:    4 16:34:11      -53.039902         0.000010
BFGS:    5 16:34:11      -53.039902         0.000000
Minimization converged after 5 steps.
Maximum force component: 3.932079641728809e-30 eV/Angstrom
Maximum stress component: 7.955235033561727e-11 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 7.30949106e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [1.54399050e-36 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [8.71132862e-37 2.50000000e-01 5.00000000e-01]
 [0.00000000e+00 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 2.87775238e-35]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 3.51085791e-33 7.50000000e-01]
 [5.00000000e-01 3.66913429e-33 2.50000000e-01]]
cellpar =  Cell([[6.692479710857926, 1.2120266018919012e-33, 9.32852912535956e-33], [-1.842874591180607e-33, 6.692479710857926, -2.484221824969943e-18], [-1.1693976765751946e-32, -2.484221824970015e-18, 6.692479710857926]])
forces =  [[ 8.38660343e-31 -2.74970604e-32  1.37485302e-32]
 [ 5.49941209e-32 -1.02067994e-50  2.74970604e-32]
 [-1.37485302e-32  2.41974132e-30 -2.74970604e-32]
 [ 2.74970604e-32 -3.93207964e-30  2.74970604e-32]
 [-2.74970604e-32  1.37485302e-32 -2.48848397e-30]
 [ 3.43713255e-32  4.81198558e-32  3.46462961e-30]
 [ 3.43713255e-32  1.75981187e-30  1.37485302e-32]
 [-2.74970604e-32 -1.07238536e-30 -1.37485302e-32]
 [-8.38660343e-31  1.37485302e-32  4.12455906e-32]
 [ 8.24911813e-31 -1.37485302e-32  6.87426511e-33]
 [-1.37485302e-32  6.87426511e-33  1.86980011e-30]
 [ 1.37485302e-32  5.49941209e-32 -2.73595751e-30]]
stress =  [ 7.95523503e-11  7.95523503e-11  7.95523503e-11  2.76753242e-26
 -4.58664453e-35 -2.10895777e-50]
energy per atom =  -4.419991813851462
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0