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_AryanpourVanDuinKubicki_2010_FeHO__SM_222964216001_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 15:58:21       -0.014101         0.014373
BFGS:    1 15:58:21       -0.014109         0.014381
BFGS:    2 15:58:21       -0.016416         0.016400
BFGS:    3 15:58:21       -0.019038         0.018590
BFGS:    4 15:58:21       -0.022000         0.020923
BFGS:    5 15:58:21       -0.025319         0.023342
BFGS:    6 15:58:21       -0.029003         0.025759
BFGS:    7 15:58:21       -0.033040         0.028032
BFGS:    8 15:58:21       -0.037395         0.029950