element(s):
['O']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5258', '3.3934595', '0.67829089']
model name:
Sim_LAMMPS_ReaxFF_ChenowethVanDuinPersson_2008_CHOV__SM_429148913211_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['O']
representative atom coordinates =  [[0.33333333 0.66666667 0.67829089]]
spacegroup =  194
cell =  [[2.5258, 0, 0], [-1.2629, 2.1874069648787, 0], [0, 0, 8.5712]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:47:01       -9.543282         2.773272
BFGS:    1 10:47:02       -9.524291         3.591104
BFGS:    2 10:47:02       -9.722276         1.207952
BFGS:    3 10:47:02       -9.776740         1.158456
BFGS:    4 10:47:02       -9.882633         1.054259
BFGS:    5 10:47:03       -9.979963         0.957412
BFGS:    6 10:47:03      -10.069984         0.868137
BFGS:    7 10:47:03      -10.152719         0.786177
BFGS:    8 10:47:03      -10.228228         0.731672
BFGS:    9 10:47:04      -10.296770         0.669838
BFGS:   10 10:47:04      -10.358749         0.604505
BFGS:   11 10:47:04      -10.414639         0.540397
BFGS:   12 10:47:04      -10.464932         0.479895
BFGS:   13 10:47:04      -10.510110         0.424063
BFGS:   14 10:47:05      -10.550624         0.379141
BFGS:   15 10:47:05      -10.586896         0.339579
BFGS:   16 10:47:05      -10.619313         0.303561
BFGS:   17 10:47:05      -10.648231         0.270788
BFGS:   18 10:47:05      -10.673971         0.240987
BFGS:   19 10:47:06      -10.696829         0.213907
BFGS:   20 10:47:06      -10.717075         0.189318
BFGS:   21 10:47:06      -10.734954         0.167008
BFGS:   22 10:47:06      -10.750689         0.146783
BFGS:   23 10:47:06      -10.764485         0.128465
BFGS:   24 10:47:07      -10.776526         0.111890
BFGS:   25 10:47:07      -10.786983         0.096909
BFGS:   26 10:47:07      -10.796009         0.083383
BFGS:   27 10:47:07      -10.803747         0.071186
BFGS:   28 10:47:07      -10.810323         0.060202
BFGS:   29 10:47:07      -10.815856         0.050325
BFGS:   30 10:47:08      -10.820451         0.041457
BFGS:   31 10:47:08      -10.824206         0.033508
BFGS:   32 10:47:08      -10.827209         0.026397
BFGS:   33 10:47:08      -10.829540         0.020047
BFGS:   34 10:47:08      -10.831272         0.014391
BFGS:   35 10:47:08      -10.832473         0.014137
BFGS:   36 10:47:09      -10.833203         0.015907
BFGS:   37 10:47:09      -10.833518         0.017227
BFGS:   38 10:47:09      -10.833543         0.017369
BFGS:   39 10:47:09      -10.833549         0.017251
BFGS:   40 10:47:09      -10.833579         0.016528
BFGS:   41 10:47:10      -10.833639         0.015005
BFGS:   42 10:47:10      -10.833800         0.011303
BFGS:   43 10:47:10      -10.834134         0.029221
BFGS:   44 10:47:10      -10.834570         0.062192
BFGS:   45 10:47:10      -10.835035         0.090965
BFGS:   46 10:47:10      -10.835518         0.067085
BFGS:   47 10:47:11      -10.835616         0.005390
BFGS:   48 10:47:11      -10.835621         0.008566
BFGS:   49 10:47:11      -10.835623         0.005262
BFGS:   50 10:47:11      -10.835624         0.001199
BFGS:   51 10:47:11      -10.835624         0.000066
BFGS:   52 10:47:12      -10.835624         0.000002
BFGS:   53 10:47:12      -10.835624         0.000000
BFGS:   54 10:47:12      -10.835624         0.000000