element(s):
['H']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
4
Parameter values for parameter set 0:
['4.651', '0.79916147']
Parameter values for parameter set 1:
['3.302', '1.6282556']
Parameter values for parameter set 2:
['3.446', '1.6268717']
Parameter values for parameter set 3:
['3.5577', '1.6337803']
model name:
Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['H']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[4.651, 0, 0], [-2.3255, 4.0278841530014, 0], [0, 0, 3.7169]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 11:29:15       -0.017943        0.0172
BFGS:    1 11:29:15       -0.017953        0.0172
BFGS:    2 11:29:15       -0.019988        0.0186
BFGS:    3 11:29:15       -0.022185        0.0200
BFGS:    4 11:29:15       -0.024536        0.0213
BFGS:    5 11:29:15       -0.027023        0.0223
BFGS:    6 11:29:15       -0.029619        0.0229
BFGS:    7 11:29:15       -0.032278        0.0230
BFGS:    8 11:29:15       -0.034935        0.0222
BFGS:    9 11:29:15       -0.037493        0.0202
BFGS:   10 11:29:15       -0.039819        0.0166