element(s):
['Si']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4673']
model name:
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[5.4673, 0, 0], [0, 5.4673, 0], [0, 0, 5.4673]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:43:35      -37.018573         0.232253
BFGS:    1 15:43:35      -37.020813         0.217782
BFGS:    2 15:43:35      -37.036742         0.007461
BFGS:    3 15:43:35      -37.036760         0.000228
BFGS:    4 15:43:35      -37.036760         0.000000
BFGS:    5 15:43:35      -37.036760         0.000000
Minimization converged after 5 steps.
Maximum force component: 8.815693462717718e-31 eV/Angstrom
Maximum stress component: 3.449264041155892e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[9.11607667e-33 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.432005238007346, -7.328896584415731e-34, 3.150218169168094e-35], [3.310495323596457e-34, 5.432005238007346, 2.5156258279958083e-19], [-3.388958657067611e-35, 2.515625827995807e-19, 5.432005238007346]])
forces =  [[ 3.57091381e-31  8.81569346e-31  2.90136747e-31]
 [-1.78545690e-31  7.19762314e-31 -4.24046015e-31]
 [ 4.86815984e-31 -4.60313108e-31  2.51079877e-31]
 [-1.67386585e-31 -4.99369978e-31 -2.23182113e-32]
 [ 3.79409592e-31  5.80273494e-31 -1.76453358e-31]
 [-5.35637071e-31 -8.64830688e-31 -4.46364226e-32]
 [ 2.78977641e-31 -1.11591056e-32 -1.00431951e-31]
 [-4.24046015e-31 -6.69546339e-32 -3.34773169e-31]]
stress =  [-3.44926404e-13 -3.44926404e-13 -3.44926404e-13 -1.81716656e-31
 -1.39244755e-34 -3.35719614e-52]
energy per atom =  -4.629594992778732
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0