./iterations/neb0_image04_iter5_CONTCAR output for 41: 3.3A-->1.3A (Job 121) O-H...N hydrogen bond by TSA-OH, TSA-NH2 (TSS)

Status: finished

No title                                
   1.00000000000000     
    15.0000000000000000    0.0000000000000000    0.0000000000000000
     0.0000000000000000   12.0000000000000000    0.0000000000000000
     0.0000000000000000    0.0000000000000000   12.0000000000000000
   N    Si   O    H 
     3     6     1    19
Direct
  0.2742024499999971  0.4708427799999981  0.5214045499999997
  0.7590557899999979  0.4823944500000010  0.5491865199999992
  0.6068334599999972  0.4399924200000029  0.4162206800000021
  0.3430514699999989  0.5858254899999977  0.5415825500000011
  0.1591228899999990  0.4814587600000024  0.4972815799999992
  0.3192293700000022  0.3358129399999967  0.5263130200000035
  0.7196516500000030  0.4650780300000008  0.4129925299999968
  0.8622559399999972  0.5436196899999999  0.5765025600000016
  0.6945731899999998  0.4317982099999966  0.6598232300000006
  0.4160460399999977  0.6052097399999994  0.4387915399999969
  0.2843998800000023  0.6853076900000019  0.5550200200000006
  0.4021424399999987  0.5666072900000003  0.6393761300000023
  0.1348193299999991  0.6019593999999984  0.4945578900000029
  0.1079298000000009  0.4241868000000011  0.5873552300000000
  0.1347137799999985  0.4287861099999972  0.3885643500000029
  0.3814864200000017  0.3151291300000025  0.4313292499999974
  0.2432910599999971  0.2556133900000006  0.5184413400000025
  0.3688415199999966  0.3179609000000028  0.6327243899999999
  0.3928538500000016  0.6269192500000003  0.3663726999999994
  0.7444687899999991  0.5678472399999990  0.3498804600000014
  0.7606554199999991  0.3653878300000031  0.3584744799999982
  0.9069789099999994  0.5663126700000021  0.4673688900000030
  0.9206217400000014  0.4680881299999982  0.6434279200000006
  0.8534514799999968  0.6510630800000001  0.6386813700000005
  0.6112472200000028  0.4973812799999990  0.6780705999999981
  0.7511716799999988  0.4427100699999968  0.7620483800000031
  0.6703199499999997  0.3120446400000034  0.6447621900000016
  0.5818514099999987  0.3683595700000026  0.3839068999999995
  0.5591670199999967  0.4992713700000024  0.4259593199999969
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00