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_RaymandVanDuinBaudin_2008_ZnOH__SM_449472104549_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 15:16:38       -0.010726        0.0166
BFGS:    1 15:16:38       -0.010738        0.0166
BFGS:    2 15:16:38       -0.013331        0.0196
BFGS:    3 15:16:38       -0.016221        0.0219
BFGS:    4 15:16:38       -0.019163        0.0221
BFGS:    5 15:16:38       -0.021619        0.0176