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:
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000
==== 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 15:47:42      -51.386566         0.057448
BFGS:    1 15:47:42      -51.386704         0.055035
BFGS:    2 15:47:43      -51.388258         0.000446
BFGS:    3 15:47:43      -51.388258         0.000003
BFGS:    4 15:47:43      -51.388258         0.000000
Minimization converged after 4 steps.
Maximum force component: 4.154920732006929e-31 eV/Angstrom
Maximum stress component: 8.820028267998723e-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 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 7.32521241e-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]
 [0.00000000e+00 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 1.08975353e-40]
 [5.00000000e-01 3.66260637e-33 7.50000000e-01]
 [5.00000000e-01 3.66260610e-33 2.50000000e-01]]
cellpar =  Cell([[6.741744332581501, -5.332169048086968e-34, 5.684747771858057e-36], [-6.094274219056894e-34, 6.741744332581501, 8.29699859402109e-24], [1.2154544914533273e-33, 8.296998493918536e-24, 6.741744332581501]])
forces =  [[ 4.15492073e-31 -3.73700092e-56 -3.03650829e-32]
 [-1.10797886e-31  8.65608486e-33 -6.92486789e-33]
 [-3.80867734e-32 -1.12550506e-31 -1.38514804e-55]
 [ 4.84740752e-32  1.10797886e-31  2.76994715e-32]
 [-3.46243394e-33  2.25058206e-32  9.34857165e-32]
 [ 6.92486789e-33  6.71304035e-34 -3.46243394e-32]
 [ 4.84740752e-32  1.20126050e-33  3.11619055e-32]
 [-4.15492073e-32  1.10797886e-31 -3.46243394e-33]
 [-9.00232825e-32  8.65608486e-33 -6.92486789e-33]
 [-2.76994715e-32 -2.87616839e-33 -3.11619055e-32]
 [-3.46243394e-33  2.07746037e-32  1.69659263e-31]
 [ 1.03873018e-32 -1.02268402e-55 -8.30984146e-32]]
stress =  [-8.82002827e-12 -8.82002827e-12 -8.82002827e-12  1.27953699e-27
 -1.35595697e-34  8.80286669e-51]
energy per atom =  -4.282354828918096
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0