./iterations/neb1_max2_image01_iter44_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
  0.3102770400000026  0.4454630600000016  0.5177797500000025
  0.7260720199999966  0.5067546800000002  0.5523090100000019
  0.5757832999999977  0.4636654800000031  0.4195625899999982
  0.3775818200000032  0.5592164199999985  0.5389004900000032
  0.1948340499999972  0.4548472900000036  0.4940362600000014
  0.3546703700000009  0.3098816500000012  0.5230660799999995
  0.6867852399999990  0.4894336099999990  0.4155192600000035
  0.8288800699999967  0.5680447499999985  0.5792982899999970
  0.6613945900000004  0.4563855099999969  0.6623965599999977
  0.4491527300000016  0.5811586900000023  0.4355343300000030
  0.3195909299999968  0.6584168300000002  0.5524073899999991
  0.4376682500000015  0.5407810000000026  0.6359419500000030
  0.1702204400000014  0.5756694999999965  0.4913053599999984
  0.1434253500000011  0.3977346400000030  0.5841880099999983
  0.1702317199999968  0.4023753900000031  0.3854369700000007
  0.4169563499999995  0.2888262100000034  0.4282357100000027
  0.2789466899999979  0.2293856200000022  0.5153021599999974
  0.4045018500000026  0.2917002200000027  0.6295864300000034
  0.4277949399999983  0.6008608699999982  0.3634858699999981
  0.7112034100000031  0.5916728500000019  0.3530172500000006
  0.7279894999999996  0.3902241799999970  0.3616290499999977
  0.8739097200000003  0.5910337199999987  0.4703727300000011
  0.8876744900000020  0.4927903199999975  0.6465427799999972
  0.8202700900000011  0.6757370600000030  0.6417237000000000
  0.5782502899999997  0.5220367299999964  0.6810030899999973
  0.7181554699999992  0.4673004899999995  0.7652037900000010
  0.6371454800000009  0.3366933100000011  0.6477808899999999
  0.5488828000000012  0.3920568799999984  0.3864154400000004
  0.5261849700000027  0.5228213899999972  0.4284393399999971
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00