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_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001
==== 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 16:43:50     -121.755222         7.350167
BFGS:    1 16:43:50     -121.683424        11.510992
BFGS:    2 16:43:50     -123.985107         6.126174
BFGS:    3 16:43:51     -125.189884         6.397979
BFGS:    4 16:43:51     -126.299269         6.727494
BFGS:    5 16:43:52     -127.396682         6.596366
BFGS:    6 16:43:52     -128.133136         5.019823
BFGS:    7 16:43:52     -128.250460         5.830249
BFGS:    8 16:43:52     -128.409898         5.351981
BFGS:    9 16:43:52     -128.762679         2.345201
BFGS:   10 16:43:52     -128.809343         0.740715
BFGS:   11 16:43:53     -128.811838         0.074726
BFGS:   12 16:43:53     -128.812013         0.021170
BFGS:   13 16:43:53     -128.812043         0.000312
BFGS:   14 16:43:53     -128.812043         0.000005
BFGS:   15 16:43:53     -128.812043         0.000000
BFGS:   16 16:43:54     -128.812043         0.000000
Minimization converged after 16 steps.
Maximum force component: 6.890390998280635e-10 eV/Angstrom
Maximum stress component: 1.9096891130077152e-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, -1.9657753781108954e-32, 6.558563942025288e-33], [-2.185217908734399e-32, 4.991168513804359, 1.482273427146194e-18], [-8.646604483424263e-33, 1.4822734271462146e-18, 4.991168513804359]])
forces =  [[-6.890391e-10 -6.890391e-10 -6.890391e-10]
 [ 6.890391e-10  6.890391e-10 -6.890391e-10]
 [ 6.890391e-10 -6.890391e-10  6.890391e-10]
 [-6.890391e-10  6.890391e-10  6.890391e-10]
 [-6.890391e-10 -6.890391e-10  6.890391e-10]
 [ 6.890391e-10  6.890391e-10  6.890391e-10]
 [-6.890391e-10  6.890391e-10 -6.890391e-10]
 [ 6.890391e-10 -6.890391e-10 -6.890391e-10]
 [-6.890391e-10 -6.890391e-10 -6.890391e-10]
 [ 6.890391e-10  6.890391e-10 -6.890391e-10]
 [ 6.890391e-10 -6.890391e-10  6.890391e-10]
 [-6.890391e-10  6.890391e-10  6.890391e-10]
 [-6.890391e-10 -6.890391e-10  6.890391e-10]
 [ 6.890391e-10  6.890391e-10  6.890391e-10]
 [-6.890391e-10  6.890391e-10 -6.890391e-10]
 [ 6.890391e-10 -6.890391e-10 -6.890391e-10]]
stress =  [ 1.90968911e-10  1.90968911e-10  1.90968911e-10  1.02087766e-26
  0.00000000e+00 -2.44874483e-58]
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