element(s):
['C']
AFLOW prototype label:
A_cI16_206_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4773', '0.15607601']
model name:
Sim_LAMMPS_ReaxFF_ChenowethVanDuinGoddard_2008_CHO__SM_584143153761_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.15607601 0.15607601 0.15607601]]
spacegroup =  206
cell =  [[4.4773, 0, 0], [0, 4.4773, 0], [0, 0, 4.4773]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:36:05     -120.760019        16.127707
BFGS:    1 16:36:05     -123.671146         8.049230
BFGS:    2 16:36:05     -124.955824         3.999962
BFGS:    3 16:36:06     -125.007803         2.742989
BFGS:    4 16:36:06     -125.052580         0.300762
BFGS:    5 16:36:07     -125.054005         0.078910
BFGS:    6 16:36:07     -125.054028         0.006812
BFGS:    7 16:36:07     -125.054028         0.000214
BFGS:    8 16:36:08     -125.054028         0.000005
BFGS:    9 16:36:08     -125.054028         0.000000
BFGS:   10 16:36:09     -125.054028         0.000000
Minimization converged after 10 steps.
Maximum force component: 1.6796194276738484e-09 eV/Angstrom
Maximum stress component: 6.804986402646192e-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 =  [[0.15519116 0.15519116 0.15519116]
 [0.34480884 0.84480884 0.65519116]
 [0.84480884 0.65519116 0.34480884]
 [0.65519116 0.34480884 0.84480884]
 [0.65519116 0.65519116 0.65519116]
 [0.84480884 0.34480884 0.15519116]
 [0.34480884 0.15519116 0.84480884]
 [0.15519116 0.84480884 0.34480884]
 [0.84480884 0.84480884 0.84480884]
 [0.65519116 0.15519116 0.34480884]
 [0.15519116 0.34480884 0.65519116]
 [0.34480884 0.65519116 0.15519116]
 [0.34480884 0.34480884 0.34480884]
 [0.15519116 0.65519116 0.84480884]
 [0.65519116 0.84480884 0.15519116]
 [0.84480884 0.15519116 0.65519116]]
cellpar =  Cell([[4.499558792128259, 1.95815095240979e-39, 0.0], [-5.795389322624261e-36, 4.499558792128259, 0.0], [0.0, 0.0, 4.499558792128259]])
forces =  [[-1.67961943e-09 -1.67961943e-09 -1.67961943e-09]
 [ 1.67961943e-09  1.67961943e-09 -1.67961943e-09]
 [ 1.67961943e-09 -1.67961943e-09  1.67961943e-09]
 [-1.67961943e-09  1.67961943e-09  1.67961943e-09]
 [-1.67961943e-09 -1.67961943e-09 -1.67961943e-09]
 [ 1.67961943e-09  1.67961943e-09 -1.67961943e-09]
 [ 1.67961943e-09 -1.67961943e-09  1.67961943e-09]
 [-1.67961943e-09  1.67961943e-09  1.67961943e-09]
 [ 1.67961943e-09  1.67961943e-09  1.67961943e-09]
 [-1.67961943e-09 -1.67961943e-09  1.67961943e-09]
 [-1.67961943e-09  1.67961943e-09 -1.67961943e-09]
 [ 1.67961943e-09 -1.67961943e-09 -1.67961943e-09]
 [ 1.67961943e-09  1.67961943e-09  1.67961943e-09]
 [-1.67961943e-09 -1.67961943e-09  1.67961943e-09]
 [-1.67961943e-09  1.67961943e-09 -1.67961943e-09]
 [ 1.67961943e-09 -1.67961943e-09 -1.67961943e-09]]
stress =  [-6.80498640e-10 -6.80498640e-10 -6.80498640e-10  0.00000000e+00
  0.00000000e+00 -4.32491976e-61]
energy per atom =  -7.707640721416362
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0