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_WeismillerVanDuinLee_2010_BHNO__SM_327381922729_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 17:57:09       -0.007205        0.0083
BFGS:    1 17:57:09       -0.007208        0.0083
BFGS:    2 17:57:09       -0.008556        0.0097
BFGS:    3 17:57:09       -0.010122        0.0112
BFGS:    4 17:57:09       -0.011929        0.0129
BFGS:    5 17:57:09       -0.013997        0.0147
BFGS:    6 17:57:09       -0.016338        0.0165
BFGS:    7 17:57:09       -0.018953        0.0183
BFGS:    8 17:57:09       -0.021823        0.0199