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 15:26:46      -99.962903         7.362606
BFGS:    1 15:26:46     -101.081202         7.343902
BFGS:    2 15:26:46     -102.198958         7.334747
BFGS:    3 15:26:46     -103.317917         7.336629
BFGS:    4 15:26:46     -104.440129         7.351865
BFGS:    5 15:26:47     -105.568120         7.383801
BFGS:    6 15:26:47     -106.705030              nan