./iterations/neb0_image01_iter12_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
  0.2565303000000014  0.4841401700000034  0.5230889099999985
  0.7755335200000033  0.4701610700000032  0.5478016300000021
  0.6236907500000015  0.4275565100000023  0.4147244999999984
  0.3252944999999983  0.5989806199999990  0.5430083800000034
  0.1414942099999976  0.4946921200000034  0.4987504099999995
  0.3014476999999971  0.3490509800000012  0.5278919799999997
  0.7362084900000028  0.4528057400000023  0.4115289900000008
  0.8786266500000011  0.5312646200000017  0.5751480300000011
  0.7111909300000008  0.4194815500000004  0.6583656600000012
  0.3984281400000000  0.6182865099999972  0.4402534199999977
  0.2665730800000006  0.6983444299999988  0.5567785699999988
  0.3841785999999985  0.5798181999999983  0.6408271399999990
  0.1170416300000028  0.6151445599999974  0.4961332800000022
  0.0905530599999977  0.4373949399999972  0.5887459100000001
  0.1168531300000026  0.4420294800000022  0.3901629000000000
  0.3636952700000009  0.3282604899999981  0.4329281400000013
  0.2255451400000013  0.2688300599999991  0.5201348699999997
  0.3510063200000033  0.3311630199999982  0.6342520800000031
  0.3750285599999970  0.6400945099999973  0.3679715099999967
  0.7610978299999971  0.5555691200000012  0.3483401000000015
  0.7770640999999969  0.3531390400000021  0.3570133999999996
  0.9235978399999993  0.5538739599999971  0.4660684099999983
  0.9367359900000025  0.4557650499999966  0.6420981699999970
  0.8700594299999977  0.6388208400000011  0.6371291499999998
  0.6278944700000011  0.4850634200000030  0.6764936599999984
  0.7678341000000017  0.4304091400000019  0.7605665299999984
  0.6870082800000006  0.2997427399999992  0.6432945999999973
  0.5982477200000034  0.3560322700000000  0.3823726500000006
  0.5759742500000016  0.4870532200000000  0.4245475900000031
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00