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_1988_C__MO_579868029681_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 14:58:42      -38.656199         4.881820
BFGS:    1 14:58:42      -39.373245         4.679637
BFGS:    2 14:58:42      -40.060342         4.482493
BFGS:    3 14:58:42      -40.718239         4.290279
BFGS:    4 14:58:42      -41.347667         4.102891
BFGS:    5 14:58:42      -41.949342         3.920223
BFGS:    6 14:58:42      -42.523965         3.742174
BFGS:    7 14:58:42      -43.072220         3.568644
BFGS:    8 14:58:42      -43.594779         3.399535
BFGS:    9 14:58:42      -44.092297         3.234753
BFGS:   10 14:58:42      -44.565416         3.074202
BFGS:   11 14:58:42      -45.014765         2.917791
BFGS:   12 14:58:42      -45.440956         2.765430
BFGS:   13 14:58:42      -45.844592         2.617030
BFGS:   14 14:58:42      -46.226259         2.472505
BFGS:   15 14:58:42      -46.586533         2.331771
BFGS:   16 14:58:42      -46.925975         2.194743
BFGS:   17 14:58:42      -47.245137         2.061342
BFGS:   18 14:58:42      -47.544628         1.935630
BFGS:   19 14:58:42      -47.825933         1.811014
BFGS:   20 14:58:42      -48.086688         1.661529
BFGS:   21 14:58:42      -48.323118         1.486587
BFGS:   22 14:58:42      -48.531373         1.285824
BFGS:   23 14:58:42      -48.707567         1.059097
BFGS:   24 14:58:42      -48.847807         0.806479
BFGS:   25 14:58:42      -48.948229         0.528253
BFGS:   26 14:58:42      -49.005027         0.224911
BFGS:   27 14:58:42      -49.016777         0.015814
BFGS:   28 14:58:42      -49.016834         0.000406
BFGS:   29 14:58:42      -49.016834         0.000001
BFGS:   30 14:58:42      -49.016834         0.000000
Minimization converged after 30 steps.
Maximum force component: 4.551626660299816e-30 eV/Angstrom
Maximum stress component: 3.6605057681833755e-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([[5.225544695496337, -2.614048895171344e-33, -3.487943178349357e-32], [-1.619322114663088e-33, 5.225544695496337, -6.751850051036391e-19], [-1.1694936528763338e-32, -6.751850051036526e-19, 5.225544695496337]])
forces =  [[ 2.83403169e-30  5.15278490e-31 -6.65783818e-50]
 [ 1.71759497e-31  1.45995572e-30  2.57639245e-31]
 [-1.37407597e-30  2.40463295e-30 -1.03055698e-30]
 [ 4.29398742e-31  4.29398742e-31 -4.29398742e-31]
 [ 7.72917735e-31  1.20231648e-30 -6.87037986e-31]
 [-1.54583547e-30 -3.52106968e-30  4.55162666e-30]
 [ 1.71759497e-31 -1.77542351e-49  1.37407597e-30]
 [ 2.57639245e-30  1.03055698e-30 -8.58797483e-32]
 [ 1.54583547e-30  1.20231648e-30 -1.11643673e-30]
 [-1.63171522e-30  2.14699371e-30 -1.88935446e-30]
 [ 3.43518993e-31  1.54583547e-30 -1.71759497e-31]
 [ 3.69282918e-30 -1.88935446e-30  3.17755069e-30]
 [ 2.49051270e-30  6.01158238e-31  1.71759497e-31]
 [-1.20231648e-30  3.86458867e-30 -5.15278490e-31]
 [ 1.45995572e-30  2.57639245e-31 -8.58797483e-32]
 [ 2.74815195e-30 -5.15278490e-31  1.71759497e-31]]
stress =  [ 3.66050577e-12  3.66050577e-12  3.66050577e-12 -1.15429665e-29
  3.75071201e-60 -3.15573306e-61]
energy per atom =  -3.0635521046968295
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0