./iterations/neb0_image03_iter11_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
  0.2682735300000019  0.4753102800000022  0.5220074599999975
  0.7645724300000012  0.4783363100000031  0.5487404699999985
  0.6125811699999986  0.4358080900000019  0.4157079800000005
  0.3371737399999972  0.5901421299999967  0.5420623300000003
  0.1531568199999995  0.4858955199999997  0.4977950999999976
  0.3132686800000002  0.3402040499999970  0.5268312999999978
  0.7250937700000009  0.4609665099999987  0.4124814999999984
  0.8677489499999993  0.5394930699999989  0.5760325099999974
  0.7001109600000035  0.4276957100000018  0.6593090000000004
  0.4102993799999979  0.6094529599999987  0.4392239599999996
  0.2784755099999998  0.6896165499999967  0.5556437099999982
  0.3961448599999997  0.5710114800000028  0.6398548900000023
  0.1288717899999980  0.6063903699999997  0.4950572500000021
  0.1020372699999967  0.4286134299999986  0.5878234799999973
  0.1287483999999992  0.4332090699999966  0.3891185700000008
  0.3755566900000034  0.3194975999999983  0.4318619299999966
  0.2373828200000005  0.2600117900000001  0.5190307599999997
  0.3628824099999974  0.3223795400000000  0.6331988399999986
  0.3869432600000025  0.6312986900000013  0.3670004399999982
  0.7500305599999990  0.5637593599999988  0.3493562600000004
  0.7660908499999977  0.3613106000000030  0.3579815200000027
  0.9125344899999988  0.5621907299999975  0.4669252799999981
  0.9260815800000017  0.4639784399999982  0.6429431399999999
  0.8589926699999992  0.6469639000000029  0.6381735699999993
  0.6168023700000020  0.4932708899999980  0.6775270799999973
  0.7567287500000006  0.4386084300000022  0.7615413400000008
  0.6759020300000032  0.3079384199999993  0.6442750300000029
  0.5872565100000031  0.3642810400000016  0.3833993200000023
  0.5646916800000028  0.4953333999999998  0.4255165499999976
 
  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