./iterations/neb1_max2_image01_iter8_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
  0.3076992900000022  0.4457689799999969  0.5184481499999976
  0.7280632699999998  0.5056853899999965  0.5521885599999976
  0.5785944400000034  0.4595719499999973  0.4191057800000024
  0.3742697100000001  0.5616599800000017  0.5405292599999996
  0.1924326299999990  0.4563619299999999  0.4941736600000013
  0.3529830499999989  0.3105434699999989  0.5235461299999997
  0.6897447400000019  0.4868899100000021  0.4153755099999970
  0.8309608699999984  0.5670243499999970  0.5793188700000016
  0.6634470500000020  0.4550847900000008  0.6622240000000019
  0.4443138999999974  0.5883138299999970  0.4362875500000030
  0.3164485599999978  0.6610446700000026  0.5536875399999985
  0.4354954100000015  0.5418912199999966  0.6357468300000022
  0.1685672899999986  0.5769862900000007  0.4914738100000022
  0.1414894500000017  0.3991720599999979  0.5844056299999991
  0.1683935499999976  0.4037290400000018  0.3854290000000020
  0.4149956700000033  0.2900883200000024  0.4282416300000023
  0.2769473500000004  0.2305573699999997  0.5154812299999989
  0.4026196299999967  0.2929671899999988  0.6297680899999989
  0.4240741999999997  0.6033980699999972  0.3613005699999974
  0.7132125899999977  0.5909711600000023  0.3527534899999978
  0.7312526799999972  0.3882089100000030  0.3606515399999992
  0.8755706299999986  0.5897241099999988  0.4701872199999997
  0.8893686799999969  0.4914320900000035  0.6463064900000006
  0.8220950400000007  0.6744906400000019  0.6415956499999993
  0.5800929199999985  0.5206101200000006  0.6809919800000017
  0.7197122399999998  0.4659972800000034  0.7648671099999973
  0.6388317600000022  0.3353079299999990  0.6476972000000032
  0.5519324600000033  0.3893867600000007  0.3859142599999998
  0.5308248600000027  0.5201005300000006  0.4287237899999994
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00