./iterations/neb0_image04_iter9_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
  0.2741983599999998  0.4709068000000016  0.5214606600000025
  0.7590604499999998  0.4823998299999985  0.5492042400000017
  0.6069998500000011  0.4398930999999990  0.4161876000000007
  0.3430667100000022  0.5858278600000020  0.5415272700000031
  0.1591291399999974  0.4814818099999982  0.4972766799999988
  0.3192181000000005  0.3358645200000012  0.5262962299999998
  0.7195681899999968  0.4650694700000031  0.4130138800000012
  0.8622522599999982  0.5436107499999991  0.5764964099999972
  0.6945783299999988  0.4317893999999995  0.6598179900000005
  0.4161657000000005  0.6051056499999987  0.4387153500000025
  0.2843815000000021  0.6852791900000028  0.5550747400000020
  0.4020915199999990  0.5666154700000021  0.6393432200000007
  0.1348068400000031  0.6019632200000018  0.4945336199999986
  0.1079271099999985  0.4242232100000010  0.5873069100000023
  0.1346949799999990  0.4287913100000011  0.3885880400000019
  0.3814743599999986  0.3151136899999969  0.4313304699999989
  0.2433118800000003  0.2556430100000000  0.5184834599999988
  0.3688137700000027  0.3179687599999994  0.6326888500000010
  0.3928715099999991  0.6268888600000011  0.3664936099999991
  0.7444892199999984  0.5678184599999980  0.3498801699999987
  0.7606142500000033  0.3654046899999983  0.3584740800000006
  0.9069912100000010  0.5663046700000010  0.4673838100000012
  0.9206033700000020  0.4680803600000019  0.6434064500000005
  0.8534586700000020  0.6510324300000008  0.6386773300000002
  0.6112669600000018  0.4973618699999989  0.6780488699999978
  0.7511782699999969  0.4426921100000030  0.7620318600000004
  0.6703507100000010  0.3120431199999985  0.6447760000000002
  0.5817931999999999  0.3683793599999987  0.3839157600000007
  0.5590775399999970  0.4994153700000012  0.4259870100000001
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00