./iterations/neb0_image09_iter7_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
  0.3046959500000028  0.4483546000000018  0.5184077700000032
  0.7309143599999999  0.5035870199999977  0.5520472799999965
  0.5822984200000008  0.4575954999999965  0.4186793100000017
  0.3709727000000029  0.5630913899999967  0.5418366600000013
  0.1891917800000016  0.4590343400000023  0.4944919699999986
  0.3497249099999991  0.3129027000000022  0.5238724599999998
  0.6923998099999977  0.4847906700000024  0.4150977500000010
  0.8337661199999999  0.5645530999999977  0.5788889499999996
  0.6665867500000004  0.4528874299999970  0.6617525799999981
  0.4396562299999971  0.5898681299999993  0.4375932399999982
  0.3147172899999973  0.6630084000000025  0.5522504099999992
  0.4325078399999995  0.5442460000000011  0.6363071000000033
  0.1652492699999968  0.5794740999999988  0.4918325900000013
  0.1383559100000014  0.4016937800000022  0.5846477699999966
  0.1651486199999965  0.4062768699999992  0.3858768899999987
  0.4117079299999986  0.2926013299999966  0.4285631400000014
  0.2736431699999997  0.2332003599999979  0.5157345499999977
  0.3992027399999998  0.2954798499999995  0.6299867199999980
  0.4221654600000022  0.6055851300000015  0.3610225700000029
  0.7161651400000011  0.5888411600000012  0.3525353599999974
  0.7331821499999975  0.3863962699999988  0.3607608200000030
  0.8786423000000028  0.5873530599999981  0.4699695500000018
  0.8923701699999995  0.4891377499999976  0.6459722099999965
  0.8251886799999966  0.6720681400000004  0.6412485900000036
  0.5830961300000013  0.5182730800000002  0.6807747000000006
  0.7227611599999975  0.4636832699999971  0.7646110199999967
  0.6419030100000001  0.3330586200000027  0.6474490700000004
  0.5543289399999978  0.3881877700000018  0.3860815700000018
  0.5338909800000025  0.5177385200000018  0.4281279499999968
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00