element(s):
['Si']
AFLOW prototype label:
A_tI4_141_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8146', '0.54949529']
model name:
Tersoff_LAMMPS_ErhartAlbe_2005SiII_SiC__MO_408791041969_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  141
cell =  [[4.8146, 0, 0], [0, 4.8146, 0], [0, 0, 2.6456]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:25:37      -16.609981         0.788125
BFGS:    1 16:25:37      -16.625938         0.722429
BFGS:    2 16:25:37      -16.675864         0.390700
BFGS:    3 16:25:37      -16.692000         0.011078
BFGS:    4 16:25:37      -16.692019         0.004875
BFGS:    5 16:25:37      -16.692020         0.003957
BFGS:    6 16:25:37      -16.692022         0.000121
BFGS:    7 16:25:37      -16.692022         0.000014
BFGS:    8 16:25:37      -16.692022         0.000000
BFGS:    9 16:25:37      -16.692022         0.000000
Minimization converged after 9 steps.
Maximum force component: 4.830018447669269e-31 eV/Angstrom
Maximum stress component: 2.932869631756428e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[1.08663163e-34 0.00000000e+00 4.32513889e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[4.898220627441095, -9.973648923749488e-39, 2.3858259236688558e-43], [6.042496186200369e-37, 4.898220627441096, 6.668985357002926e-22], [2.399572453645849e-39, 3.502897926369724e-22, 2.572781189702406]])
forces =  [[-3.32063768e-31 -1.81125692e-31 -2.46604773e-53]
 [ 2.11313307e-31 -1.20750461e-31 -1.64403182e-53]
 [-1.35844269e-31  4.22626614e-31  5.75411137e-53]
 [-1.20750461e-31 -4.83001845e-31 -6.57612728e-53]]
stress =  [-2.10522143e-11 -2.10522143e-11 -2.93286963e-11  5.73603911e-29
  1.20882793e-50  1.74794360e-64]
energy per atom =  -4.173005412428545
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0