./iterations/neb0_image06_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
  0.2860615399999986  0.4620585999999989  0.5203217700000025
  0.7480249400000005  0.4906041699999975  0.5502524600000029
  0.5960773400000008  0.4480455799999987  0.4171844800000031
  0.3546884200000022  0.5769034300000015  0.5409128800000005
  0.1708897399999998  0.4726844999999997  0.4961704099999977
  0.3311529300000018  0.3269334100000023  0.5253165999999965
  0.7085021099999977  0.4731362300000015  0.4139704999999978
  0.8511484599999974  0.5518537700000010  0.5774199199999970
  0.6835082099999994  0.4400463400000021  0.6606910499999969
  0.4277088400000011  0.5967656999999988  0.4377438100000006
  0.2963055199999971  0.6765095100000025  0.5539413699999969
  0.4140298700000002  0.5578229400000012  0.6382520399999976
  0.1467123799999968  0.5931820899999991  0.4934517299999968
  0.1197956700000020  0.4154076399999980  0.5862660299999973
  0.1466114199999993  0.4199647100000021  0.3875171199999983
  0.3933394700000008  0.3063037900000012  0.4302497899999977
  0.2552062600000014  0.2468466400000011  0.5174191600000029
  0.3807295100000019  0.3091608800000003  0.6316408300000020
  0.4046985100000029  0.6182095699999977  0.3651952700000010
  0.7334108900000018  0.5760319700000025  0.3509028499999971
  0.7496766300000033  0.3736470899999986  0.3594227500000002
  0.8958888800000011  0.5745599999999982  0.4683797100000007
  0.9095584100000025  0.4763064099999994  0.6443987600000014
  0.8423806600000034  0.6592650300000003  0.6396976400000014
  0.6001739200000031  0.5055709900000025  0.6790825799999993
  0.7400566399999988  0.4509090999999970  0.7630258900000015
  0.6592305400000029  0.3202583200000007  0.6457931500000029
  0.5708656999999988  0.3765108799999979  0.3848984899999977
  0.5480005300000030  0.5074690599999983  0.4269015599999975
 
  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