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_SinghSrinivasanNeekAmal_2013_CFH__SM_306840588959_000
==== 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       -0.016348        0.0134
BFGS:    1 17:57:09       -0.016355        0.0134
BFGS:    2 17:57:09       -0.018453        0.0145
BFGS:    3 17:57:09       -0.020710        0.0155
BFGS:    4 17:57:09       -0.023100        0.0163
BFGS:    5 17:57:09       -0.025577        0.0167
BFGS:    6 17:57:09       -0.028074        0.0165
BFGS:    7 17:57:09       -0.030485        0.0155
BFGS:    8 17:57:09       -0.032658        0.0133