element(s):
['H', 'V']
AFLOW prototype label:
A2B_cF12_225_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2363']
model name:
Sim_LAMMPS_ReaxFF_ChenowethVanDuinPersson_2008_CHOV__SM_429148913211_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['H', 'V']
representative atom coordinates =  [[0.25 0.25 0.25]
 [0.   0.   0.  ]]
spacegroup =  225
cell =  [[4.2363, 0, 0], [0, 4.2363, 0], [0, 0, 4.2363]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 18:07:50      -99.962903        7.3626
BFGS:    1 18:07:50     -101.081202        7.3439
BFGS:    2 18:07:50     -102.198958        7.3347
BFGS:    3 18:07:50     -103.317917        7.3366
BFGS:    4 18:07:50     -104.440129        7.3519
BFGS:    5 18:07:50     -105.568120        7.3838
BFGS:    6 18:07:50     -106.705030           nan