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_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001
==== 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 16:43:53       -0.006045         0.010233
BFGS:    1 16:43:53       -0.006049         0.010239
BFGS:    2 16:43:53       -0.007707         0.012362
BFGS:    3 16:43:53       -0.009556         0.013945
BFGS:    4 16:43:53       -0.011364         0.013738
BFGS:    5 16:43:53       -0.012580         0.009183