./iterations/neb1_max2_image01_iter53_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
  0.3128519200000000  0.4448400300000017  0.5157641600000034
  0.7235441500000022  0.5079555800000009  0.5510252799999975
  0.5808014300000011  0.4588704199999967  0.4184208799999993
  0.3767097300000017  0.5585601399999973  0.5476226500000010
  0.1972407800000013  0.4548034500000000  0.4943914099999986
  0.3566417299999998  0.3093563500000016  0.5237375900000032
  0.6857529500000012  0.4884890800000008  0.4155089799999985
  0.8262596499999972  0.5686109999999971  0.5788868699999981
  0.6612307500000014  0.4579350500000032  0.6620201400000028
  0.4371145699999985  0.5889309399999973  0.4400304799999972
  0.3254755999999972  0.6534980799999985  0.5483959499999997
  0.4382280700000010  0.5400302500000009  0.6330875100000029
  0.1719105999999968  0.5741338699999972  0.4911669299999986
  0.1447887799999990  0.3964087900000024  0.5842695400000011
  0.1717759499999971  0.4011381199999988  0.3849945700000035
  0.4183094500000024  0.2876440499999973  0.4280085199999988
  0.2802612799999977  0.2280361400000004  0.5150423099999983
  0.4058609000000004  0.2902914399999972  0.6291384199999968
  0.4302794099999971  0.6009180000000001  0.3590922599999971
  0.7094735800000009  0.5924239000000000  0.3537635400000028
  0.7252285200000017  0.3935643900000017  0.3627421899999987
  0.8724555399999971  0.5921550699999969  0.4705396299999975
  0.8863950900000006  0.4938087800000019  0.6467753900000019
  0.8190058799999989  0.6770339699999965  0.6419283700000022
  0.5767171999999974  0.5229488000000018  0.6813854199999980
  0.7163188299999987  0.4683372699999993  0.7654598600000000
  0.6354209900000001  0.3375696700000006  0.6479977799999972
  0.5478722599999983  0.3970076900000024  0.3882909100000020
  0.5305083499999981  0.5176680300000029  0.4269330500000024
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00