./iterations/neb0_image03_iter19_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
  0.2682625799999983  0.4754701299999979  0.5220261899999983
  0.7645402500000031  0.4783769399999969  0.5487824900000007
  0.6124356400000011  0.4358330299999977  0.4156544800000006
  0.3371974499999979  0.5900922000000008  0.5422384399999984
  0.1531363200000015  0.4860462199999986  0.4977161199999998
  0.3132443699999996  0.3402748500000001  0.5268545799999984
  0.7250875100000016  0.4608938300000034  0.4124798599999977
  0.8676922900000008  0.5394916500000022  0.5759292700000032
  0.7001749300000029  0.4277166899999969  0.6592342499999972
  0.4106513600000028  0.6090415000000036  0.4391537999999997
  0.2785406499999965  0.6894290899999973  0.5557266300000023
  0.3960258899999971  0.5710243099999985  0.6397758100000033
  0.1288057499999979  0.6065224000000029  0.4949665899999971
  0.1020152800000034  0.4286892599999987  0.5877568599999989
  0.1286691099999970  0.4332679899999974  0.3891584100000003
  0.3754931100000007  0.3194801699999985  0.4318631399999973
  0.2373663400000012  0.2600481500000029  0.5191671099999979
  0.3628110499999977  0.3224465099999989  0.6331070399999987
  0.3870238599999993  0.6312945199999973  0.3670556699999992
  0.7501118099999999  0.5637489799999997  0.3493082000000030
  0.7659416600000029  0.3613063299999979  0.3579571400000034
  0.9125923499999971  0.5621290099999996  0.4670252299999973
  0.9260086800000025  0.4638555599999989  0.6429952599999993
  0.8590198699999974  0.6469564699999992  0.6381861999999998
  0.6168282399999967  0.4932301300000006  0.6774382600000024
  0.7567980600000013  0.4385730699999968  0.7615307700000002
  0.6760195499999995  0.3078389300000026  0.6442960099999979
  0.5870942399999990  0.3644512400000011  0.3834418499999970
  0.5648457699999980  0.4954391999999999  0.4255949300000026
 
  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