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_1988T3_Si__MO_186459956893_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      -51.389070         0.057161
BFGS:    1 15:47:44      -51.389207         0.054760
BFGS:    2 15:47:44      -51.390745         0.000441
BFGS:    3 15:47:44      -51.390745         0.000003
BFGS:    4 15:47:44      -51.390745         0.000000
Minimization converged after 4 steps.
Maximum force component: 4.791969320476757e-30 eV/Angstrom
Maximum stress component: 8.602600675856096e-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 6.97447974e-39 5.00000000e-01]
 [7.50000000e-01 7.32519145e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 8.71809967e-39]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [9.79578626e-39 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [9.45905610e-39 2.50000000e-01 5.00000000e-01]
 [1.45406202e-40 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 6.97447974e-39]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 3.66259921e-33 7.50000000e-01]
 [5.00000000e-01 3.66261490e-33 2.50000000e-01]]
cellpar =  Cell([[6.74168910284684, -5.1802386828438995e-33, 1.0043863908214882e-32], [9.293945147218128e-33, 6.74168910284684, -3.1349771704926986e-22], [1.553798650419573e-33, -3.134977171523047e-22, 6.74168910284684]])
forces =  [[-4.79196932e-30  2.07744335e-32 -2.76992446e-32]
 [ 2.21593957e-31  2.57610513e-54 -5.53984893e-32]
 [-2.76992446e-32 -1.21876676e-30  5.66743129e-53]
 [-4.15488669e-32 -4.98586403e-31  6.92481116e-33]
 [ 1.38496223e-32 -6.92481116e-32 -1.27416525e-30]
 [-1.27443271e-64 -5.53984893e-32 -2.21593957e-31]
 [-5.53984893e-32 -4.54267612e-30  2.11240621e-52]
 [-2.76992446e-32  4.70887159e-30 -2.18968936e-52]
 [-6.64781871e-31  2.57610514e-54 -5.53984893e-32]
 [ 2.43753353e-30  1.28805257e-54 -2.76992446e-32]
 [-2.74216371e-64 -6.92481116e-32 -7.75578850e-31]
 [-2.52990202e-65 -5.53984893e-32  2.21593957e-31]]
stress =  [-8.60260068e-12 -8.60260068e-12 -8.60260068e-12  1.12303461e-27
  4.51993061e-35 -1.01551555e-50]
energy per atom =  -4.282562114338758
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0