element(s):
['H']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2058']
model name:
Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['H']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[4.2058, 0, 0], [0, 4.2058, 0], [0, 0, 4.2058]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 11:29:16       -0.014113        0.0144
BFGS:    1 11:29:16       -0.014122        0.0144
BFGS:    2 11:29:16       -0.016429        0.0164
BFGS:    3 11:29:16       -0.019052        0.0186
BFGS:    4 11:29:16       -0.022015        0.0209
BFGS:    5 11:29:16       -0.025334        0.0233
BFGS:    6 11:29:16       -0.029018        0.0258
BFGS:    7 11:29:16       -0.033055        0.0280
BFGS:    8 11:29:16       -0.037410        0.0299