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 15:56:12     -121.755222         7.350167
BFGS:    1 15:56:13     -121.683424        11.510992
BFGS:    2 15:56:13     -123.985107         6.126174
BFGS:    3 15:56:13     -125.189884         6.397979
BFGS:    4 15:56:13     -126.299269         6.727494
BFGS:    5 15:56:13     -127.396682         6.596366
BFGS:    6 15:56:13     -128.133136         5.019823
BFGS:    7 15:56:13     -128.250460         5.830249
BFGS:    8 15:56:13     -128.409898         5.351981
BFGS:    9 15:56:13     -128.762679         2.345201
BFGS:   10 15:56:13     -128.809343         0.740715
BFGS:   11 15:56:13     -128.811838         0.074726
BFGS:   12 15:56:13     -128.812013         0.021170
BFGS:   13 15:56:13     -128.812043         0.000312
BFGS:   14 15:56:13     -128.812043         0.000005
BFGS:   15 15:56:14     -128.812043         0.000000
BFGS:   16 15:56:14     -128.812043         0.000000
Minimization converged after 16 steps.
Maximum force component: 6.893332497087148e-10 eV/Angstrom
Maximum stress component: 1.9105558374598231e-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([[4.99116851380436, -1.9462439146982228e-32, 1.797781847164221e-32], [2.6409926056137025e-34, 4.99116851380436, 7.47959661610202e-18], [-1.913674267335884e-32, 7.479596616102051e-18, 4.99116851380436]])
forces =  [[-6.8933325e-10 -6.8933325e-10 -6.8933325e-10]
 [ 6.8933325e-10  6.8933325e-10 -6.8933325e-10]
 [ 6.8933325e-10 -6.8933325e-10  6.8933325e-10]
 [-6.8933325e-10  6.8933325e-10  6.8933325e-10]
 [-6.8933325e-10 -6.8933325e-10  6.8933325e-10]
 [ 6.8933325e-10  6.8933325e-10  6.8933325e-10]
 [-6.8933325e-10  6.8933325e-10 -6.8933325e-10]
 [ 6.8933325e-10 -6.8933325e-10 -6.8933325e-10]
 [-6.8933325e-10 -6.8933325e-10 -6.8933325e-10]
 [ 6.8933325e-10  6.8933325e-10 -6.8933325e-10]
 [ 6.8933325e-10 -6.8933325e-10  6.8933325e-10]
 [-6.8933325e-10  6.8933325e-10  6.8933325e-10]
 [-6.8933325e-10 -6.8933325e-10  6.8933325e-10]
 [ 6.8933325e-10  6.8933325e-10  6.8933325e-10]
 [-6.8933325e-10  6.8933325e-10 -6.8933325e-10]
 [ 6.8933325e-10 -6.8933325e-10 -6.8933325e-10]]
stress =  [ 1.91055584e-10  1.91055584e-10  1.91055584e-10 -1.97431687e-28
  4.18917454e-32  5.82400967e-49]
energy per atom =  -7.947861240650861
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0