./iterations/neb1_max2_image01_iter112_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
  0.0775016600000029  0.9809664300000023  0.6415767399999979
  0.9603716299999974  0.6560281900000007  0.7815196099999966
  0.4744664400000005  0.4158057499999970  0.4351260700000026
  0.0871226300000032  0.3134805700000030  0.7706522399999969
  0.2527638400000001  0.0608442099999991  0.4914802699999967
  0.4346569000000002  0.1201759799999991  0.8363997399999974
  0.1898605000000018  0.0115726900000013  0.8169278900000023
  0.7961592400000015  0.1168543400000033  0.5853424000000018
  0.0274077799999972  0.7605052799999967  0.3308403400000017
  0.1468091400000020  0.4401343500000010  0.3899436700000010
  0.0920092799999992  0.6250018599999976  0.3048374700000025
  0.5080304999999967  0.6554619500000030  0.1763685499999994
  0.3424496000000019  0.1347316599999999  0.3984682299999989
  0.8430239799999981  0.8959211499999995  0.8127460299999996
  0.1142634400000020  0.8053355300000007  0.0588419600000023
  0.2748254400000008  0.7441254200000031  0.3387200700000008
  0.2988641199999975  0.5511712400000022  0.7372584700000004
  0.6731422900000013  0.7578254800000011  0.8331695600000018
  0.9977554299999980  0.3166120799999987  0.5362564799999987
  0.8294836399999994  0.1984897099999969  0.6349024299999968
  0.6672135100000034  0.3154305099999988  0.4648686999999967
  0.7826246899999987  0.1835043800000022  0.3697871899999967
  0.0300001299999977  0.9067359399999972  0.7518966399999982
  0.8188733699999986  0.3519502700000032  0.7788449499999999
  0.8860583800000015  0.7807380100000003  0.6886183900000020
  0.4961540899999974  0.8140989500000018  0.7395582600000026
  0.4573020699999972  0.6599039899999966  0.7365750900000023
  0.8515397600000014  0.0107039700000016  0.3503924400000002
  0.5545516099999972  0.2066542100000035  0.3144921800000020
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00