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 15:47:44      -53.019527         0.197298
BFGS:    1 15:47:44      -53.021161         0.189379
BFGS:    2 15:47:44      -53.038855         0.045440
BFGS:    3 15:47:44      -53.039901         0.001377
BFGS:    4 15:47:44      -53.039902         0.000010
BFGS:    5 15:47:44      -53.039902         0.000000
Minimization converged after 5 steps.
Maximum force component: 6.571797443169129e-30 eV/Angstrom
Maximum stress component: 7.955226564176218e-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]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [3.11016214e-38 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 2.50000000e-01 5.00000000e-01]
 [0.00000000e+00 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 3.62596800e-33 7.50000000e-01]
 [5.00000000e-01 3.65474553e-33 2.50000000e-01]]
cellpar =  Cell([[6.692479710857926, -2.8250294354394004e-32, -3.2689064568246456e-33], [-1.6580439724108655e-32, 6.692479710857926, -2.8123894825985973e-18], [-2.9716985052638664e-32, -2.8123894825986697e-18, 6.692479710857926]])
forces =  [[-1.03113977e-30 -1.37485302e-32  5.77756279e-51]
 [ 2.74970604e-31  1.37485302e-32 -5.77756279e-51]
 [-1.42448305e-62  5.77438269e-30 -1.37485302e-32]
 [ 1.41767073e-62 -5.74688563e-30  1.37485302e-32]
 [-1.37485302e-32  2.02214698e-48 -4.81198558e-30]
 [ 1.37485302e-32 -2.38035587e-48  5.66439445e-30]
 [ 9.74869716e-63 -3.95957670e-30  1.37485302e-32]
 [-1.62204043e-62  6.57179744e-30 -1.37485302e-32]
 [-1.20987066e-30  1.37485302e-32 -5.77756279e-51]
 [ 1.20987066e-30 -1.37485302e-32  5.77756279e-51]
 [-1.37485302e-32  1.94126110e-48 -4.61950615e-30]
 [ 1.37485302e-32 -1.77948934e-48  4.23454731e-30]]
stress =  [ 7.95522656e-11  7.95522656e-11  7.95522656e-11 -2.95435276e-27
  1.68674426e-58  4.23454362e-59]
energy per atom =  -4.419991813851461
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0