./iterations/neb1_max2_image01_iter45_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
  0.3100382200000027  0.4449287799999979  0.5179102299999983
  0.7260590699999980  0.5068650400000010  0.5523895700000025
  0.5746421699999971  0.4641310100000027  0.4195777400000011
  0.3778383599999984  0.5591589300000024  0.5384637699999999
  0.1947724500000021  0.4548049300000017  0.4940037499999974
  0.3547515599999969  0.3096557900000008  0.5230395700000017
  0.6869877500000001  0.4896348799999970  0.4156537799999995
  0.8289655100000033  0.5681692100000006  0.5793844299999975
  0.6612643599999970  0.4563989399999997  0.6625171600000002
  0.4501344199999977  0.5805782300000004  0.4356511399999974
  0.3194499199999967  0.6588579800000005  0.5524587299999979
  0.4379016700000022  0.5405932600000014  0.6362820900000017
  0.1703081599999976  0.5756241799999984  0.4913273800000013
  0.1435501799999983  0.3977360700000006  0.5841556800000021
  0.1703302000000022  0.4023702900000004  0.3854867700000000
  0.4170266699999985  0.2887964800000020  0.4282303700000014
  0.2790087300000010  0.2293946899999995  0.5152880400000015
  0.4045377500000029  0.2916730700000016  0.6295837899999981
  0.4277992499999996  0.6008372100000017  0.3631322800000021
  0.7111871199999982  0.5919689500000018  0.3529185299999966
  0.7279555000000002  0.3900234299999994  0.3614967399999998
  0.8738191599999965  0.5910367899999969  0.4703834999999970
  0.8875405799999996  0.4928367799999975  0.6464869200000010
  0.8202029099999990  0.6757033000000021  0.6416803600000023
  0.5781911099999988  0.5220569000000026  0.6810108600000007
  0.7180798899999985  0.4673444900000021  0.7651473900000028
  0.6370956299999975  0.3367373299999983  0.6477721299999999
  0.5488200899999995  0.3919299300000034  0.3863736099999997
  0.5261755900000011  0.5231214399999971  0.4286142200000000
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00