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_ChenowethVanDuinGoddard_2008_CHO__SM_584143153761_001
==== 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 16:11:17       -0.011389         0.009855
BFGS:    1 16:11:17       -0.011393         0.009857
BFGS:    2 16:11:17       -0.012931         0.010617
BFGS:    3 16:11:17       -0.014569         0.011196
BFGS:    4 16:11:17       -0.016274         0.011464
BFGS:    5 16:11:17       -0.017984         0.011239
BFGS:    6 16:11:17       -0.019608         0.010264
BFGS:    7 16:11:17       -0.021008         0.008185
BFGS:    8 16:11:17       -0.021984         0.004512