element(s):
['H']
AFLOW prototype label:
A_tP1_123_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1695', '0.94664774']
model name:
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['H']
representative atom coordinates =  [[0 0 0]]
spacegroup =  123
cell =  [[3.1695, 0, 0], [0, 3.1695, 0], [0, 0, 3.0004]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:45:21       -0.006045         0.010233
BFGS:    1 17:45:21       -0.006049         0.010239
BFGS:    2 17:45:21       -0.007707         0.012362
BFGS:    3 17:45:21       -0.009556         0.013945
BFGS:    4 17:45:21       -0.011364         0.013738
BFGS:    5 17:45:21       -0.012580         0.009183