element(s):
['C']
AFLOW prototype label:
A_cI16_229_f
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8764', '0.16261302']
model name:
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.16261302 0.16261302 0.16261302]]
spacegroup =  229
cell =  [[4.8764, 0, 0], [0, 4.8764, 0], [0, 0, 4.8764]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:42:30     -121.755222         7.350167
BFGS:    1 15:42:30     -121.683424        11.510992
BFGS:    2 15:42:30     -123.985107         6.126174
BFGS:    3 15:42:30     -125.189884         6.397979
BFGS:    4 15:42:30     -126.299269         6.727494
BFGS:    5 15:42:31     -127.396682         6.596366
BFGS:    6 15:42:31     -128.133136         5.019823
BFGS:    7 15:42:31     -128.250460         5.830249
BFGS:    8 15:42:31     -128.409898         5.351981
BFGS:    9 15:42:31     -128.762679         2.345201
BFGS:   10 15:42:31     -128.809343         0.740715
BFGS:   11 15:42:31     -128.811838         0.074726
BFGS:   12 15:42:31     -128.812013         0.021170
BFGS:   13 15:42:31     -128.812043         0.000312
BFGS:   14 15:42:31     -128.812043         0.000005
BFGS:   15 15:42:31     -128.812043         0.000000
BFGS:   16 15:42:31     -128.812043         0.000000
Minimization converged after 16 steps.
Maximum force component: 6.897037057375637e-10 eV/Angstrom
Maximum stress component: 1.9113249700350578e-10 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 =  [[0.16133933 0.16133933 0.16133933]
 [0.83866067 0.83866067 0.16133933]
 [0.83866067 0.16133933 0.83866067]
 [0.16133933 0.83866067 0.83866067]
 [0.16133933 0.16133933 0.83866067]
 [0.83866067 0.83866067 0.83866067]
 [0.16133933 0.83866067 0.16133933]
 [0.83866067 0.16133933 0.16133933]
 [0.66133933 0.66133933 0.66133933]
 [0.33866067 0.33866067 0.66133933]
 [0.33866067 0.66133933 0.33866067]
 [0.66133933 0.33866067 0.33866067]
 [0.66133933 0.66133933 0.33866067]
 [0.33866067 0.33866067 0.33866067]
 [0.66133933 0.33866067 0.66133933]
 [0.33866067 0.66133933 0.66133933]]
cellpar =  Cell([[4.991168513804359, -2.3242523879851125e-33, 3.727601983552293e-33], [-1.919270995320841e-32, 4.991168513804359, 4.1616365265706793e-19], [-2.386409306682868e-33, 4.161636526570719e-19, 4.991168513804359]])
forces =  [[-6.89703706e-10 -6.89703706e-10 -6.89703706e-10]
 [ 6.89703706e-10  6.89703706e-10 -6.89703706e-10]
 [ 6.89703706e-10 -6.89703706e-10  6.89703706e-10]
 [-6.89703706e-10  6.89703706e-10  6.89703706e-10]
 [-6.89703706e-10 -6.89703706e-10  6.89703706e-10]
 [ 6.89703706e-10  6.89703706e-10  6.89703706e-10]
 [-6.89703706e-10  6.89703706e-10 -6.89703706e-10]
 [ 6.89703706e-10 -6.89703706e-10 -6.89703706e-10]
 [-6.89703706e-10 -6.89703706e-10 -6.89703706e-10]
 [ 6.89703706e-10  6.89703706e-10 -6.89703706e-10]
 [ 6.89703706e-10 -6.89703706e-10  6.89703706e-10]
 [-6.89703706e-10  6.89703706e-10  6.89703706e-10]
 [-6.89703706e-10 -6.89703706e-10  6.89703706e-10]
 [ 6.89703706e-10  6.89703706e-10  6.89703706e-10]
 [-6.89703706e-10  6.89703706e-10 -6.89703706e-10]
 [ 6.89703706e-10 -6.89703706e-10 -6.89703706e-10]]
stress =  [1.91132497e-10 1.91132497e-10 1.91132497e-10 3.76148225e-27
 3.72737577e-32 8.91037441e-49]
energy per atom =  -7.947861240650852
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0