./iterations/neb1_max1_image01_iter6_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
  0.2535510499999987  0.4863247999999984  0.5232018000000025
  0.7782760600000032  0.4681278600000027  0.5474292299999988
  0.6263907499999988  0.4254425700000013  0.4144479300000015
  0.3224087199999985  0.6012297600000025  0.5432286899999994
  0.1385342299999976  0.4969512699999967  0.4989937900000001
  0.2984356799999972  0.3512823699999998  0.5281577299999967
  0.7390571600000015  0.4507456300000001  0.4112756199999978
  0.8813649699999999  0.5291831299999998  0.5750145900000021
  0.7139668100000023  0.4173826700000021  0.6581498400000001
  0.3952917900000017  0.6205334599999972  0.4405415800000014
  0.2635918100000012  0.7005923800000033  0.5569994800000018
  0.3812636500000011  0.5820294299999986  0.6412143399999977
  0.1140624900000020  0.6174417300000030  0.4963701200000017
  0.0876496300000014  0.4395792999999983  0.5890342799999999
  0.1138706099999993  0.4442679400000031  0.3903533599999989
  0.3606889699999982  0.3304771999999971  0.4331809700000022
  0.2225173599999977  0.2710654799999972  0.5204244800000026
  0.3480400899999978  0.3333986499999995  0.6345693600000004
  0.3721105099999988  0.6422805500000024  0.3682575799999981
  0.7639010199999987  0.5534759199999968  0.3480930099999995
  0.7798862699999987  0.3509827099999967  0.3567290700000001
  0.9264191500000010  0.5517394600000003  0.4658165000000025
  0.9393770000000004  0.4536282700000029  0.6419709899999972
  0.8728370799999965  0.6368238399999981  0.6368782799999977
  0.6306586999999979  0.4829807899999992  0.6762559699999997
  0.7706462499999986  0.4283321599999965  0.7603154500000002
  0.6898287799999991  0.2976037299999987  0.6430514199999990
  0.6010482599999989  0.3540235299999992  0.3821198699999968
  0.5787590999999992  0.4850417399999998  0.4243452600000026
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00