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 15:58:20       -0.014113         0.014378
BFGS:    1 15:58:20       -0.014122         0.014386
BFGS:    2 15:58:20       -0.016429         0.016405
BFGS:    3 15:58:20       -0.019052         0.018594
BFGS:    4 15:58:21       -0.022015         0.020926
BFGS:    5 15:58:21       -0.025334         0.023344
BFGS:    6 15:58:21       -0.029018         0.025759
BFGS:    7 15:58:21       -0.033055         0.028032
BFGS:    8 15:58:21       -0.037410         0.029950