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_ChenowethVanDuinPersson_2008_CHOV__SM_429148913211_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 17:36:21     -120.760019       16.1277
BFGS:    1 17:36:21     -123.671146        8.0492
BFGS:    2 17:36:21     -124.955824        4.0000
BFGS:    3 17:36:21     -125.007803        2.7430
BFGS:    4 17:36:21     -125.052580        0.3008
BFGS:    5 17:36:21     -125.054005        0.0789
BFGS:    6 17:36:22     -125.054028        0.0068
BFGS:    7 17:36:22     -125.054028        0.0002
BFGS:    8 17:36:22     -125.054028        0.0000
BFGS:    9 17:36:22     -125.054028        0.0000
BFGS:   10 17:36:22     -125.054028        0.0000
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, 4.527396579744661e-37, 0.0], [2.669182900013966e-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  9.40017822e-62]
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