element(s):
['C']
AFLOW prototype label:
A_cF16_227_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8232']
model name:
Tersoff_LAMMPS_Tersoff_1989_SiC__MO_171585019474_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  227
cell =  [[4.8232, 0, 0], [0, 4.8232, 0], [0, 0, 4.8232]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:07:09      -38.656199         4.881820
BFGS:    1 16:07:09      -39.373245         4.679637
BFGS:    2 16:07:10      -40.060342         4.482493
BFGS:    3 16:07:10      -40.718239         4.290279
BFGS:    4 16:07:10      -41.347667         4.102891
BFGS:    5 16:07:10      -41.949342         3.920223
BFGS:    6 16:07:11      -42.523965         3.742174
BFGS:    7 16:07:11      -43.072220         3.568644
BFGS:    8 16:07:12      -43.594779         3.399535
BFGS:    9 16:07:12      -44.092297         3.234753
BFGS:   10 16:07:12      -44.565416         3.074202
BFGS:   11 16:07:12      -45.014765         2.917791
BFGS:   12 16:07:13      -45.440956         2.765430
BFGS:   13 16:07:13      -45.844592         2.617030
BFGS:   14 16:07:13      -46.226259         2.472505
BFGS:   15 16:07:13      -46.586533         2.331771
BFGS:   16 16:07:13      -46.925975         2.194743
BFGS:   17 16:07:14      -47.245137         2.061342
BFGS:   18 16:07:14      -47.544628         1.935630
BFGS:   19 16:07:14      -47.825933         1.811014
BFGS:   20 16:07:14      -48.086688         1.661529
BFGS:   21 16:07:14      -48.323118         1.486587
BFGS:   22 16:07:14      -48.531373         1.285824
BFGS:   23 16:07:14      -48.707567         1.059097
BFGS:   24 16:07:15      -48.847807         0.806479
BFGS:   25 16:07:15      -48.948229         0.528253
BFGS:   26 16:07:15      -49.005027         0.224911
BFGS:   27 16:07:15      -49.016777         0.015814
BFGS:   28 16:07:15      -49.016834         0.000406
BFGS:   29 16:07:16      -49.016834         0.000001
BFGS:   30 16:07:16      -49.016834         0.000000
Minimization converged after 30 steps.
Maximum force component: 4.8092659052224484e-30 eV/Angstrom
Maximum stress component: 3.665028656382352e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.125 0.125 0.125]
 [0.875 0.375 0.625]
 [0.375 0.625 0.875]
 [0.625 0.875 0.375]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.125 0.625 0.625]
 [0.875 0.875 0.125]
 [0.375 0.125 0.375]
 [0.375 0.375 0.125]
 [0.875 0.125 0.875]
 [0.625 0.125 0.625]
 [0.125 0.875 0.875]
 [0.125 0.375 0.375]
 [0.625 0.625 0.125]]
cellpar =  Cell([[5.225544695496339, 3.796686550380651e-33, -5.816038212706253e-33], [-6.418979492545036e-33, 5.225544695496339, -1.2815345266909142e-17], [-3.340449809900965e-33, -1.2815345266909125e-17, 5.225544695496339]])
forces =  [[-1.37407597e-30 -4.29398742e-31  1.11643673e-30]
 [-5.15278490e-31  1.80347471e-30 -3.43518993e-31]
 [-1.37407597e-30  1.54583547e-30 -1.37407597e-30]
 [-2.57639245e-31  1.37407597e-30 -3.43518993e-31]
 [-1.23148407e-63  1.71759497e-30 -1.37407597e-30]
 [ 4.20810767e-30 -2.66227220e-30  4.29398742e-31]
 [-2.74815195e-30  1.03055698e-30 -2.52738122e-48]
 [-1.71759497e-30  3.43518993e-31  6.01158238e-31]
 [-6.01158238e-31  1.63171522e-30 -1.20231648e-30]
 [-1.37407597e-30 -4.29398742e-31 -1.97523421e-30]
 [-3.43518993e-31  1.03055698e-30  1.71759497e-31]
 [ 1.45995572e-30 -1.03055698e-30  7.72917735e-31]
 [-1.45995572e-30  2.57639245e-31  9.44677231e-31]
 [-2.83403169e-30  7.72917735e-31  4.80926591e-30]
 [-9.44677231e-31  3.43518993e-31 -1.63171522e-30]
 [-1.88935446e-30  6.87037986e-31  5.15278490e-31]]
stress =  [ 3.66502866e-12  3.66502866e-12  3.66502866e-12  3.57577766e-29
 -6.01860807e-34 -9.47778954e-50]
energy per atom =  -3.0635521046968335
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0