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 16:57:36       -0.016348         0.013419
BFGS:    1 16:57:36       -0.016355         0.013424
BFGS:    2 16:57:36       -0.018453         0.014536
BFGS:    3 16:57:36       -0.020710         0.015525
BFGS:    4 16:57:36       -0.023100         0.016286
BFGS:    5 16:57:36       -0.025577         0.016676
BFGS:    6 16:57:36       -0.028074         0.016497
BFGS:    7 16:57:37       -0.030485         0.015478
BFGS:    8 16:57:37       -0.032658         0.013258