./iterations/neb0_image07_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
  0.2921028499999991  0.4574628100000027  0.5197632799999994
  0.7424089100000018  0.4948248099999972  0.5507247199999981
  0.5908734699999982  0.4517497699999993  0.4176774100000031
  0.3603252899999987  0.5724746900000000  0.5408392200000023
  0.1769670400000010  0.4682282400000020  0.4956762099999992
  0.3372123400000007  0.3223524300000022  0.5248093699999998
  0.7031706400000033  0.4771308999999988  0.4144054200000014
  0.8454762300000027  0.5560321800000025  0.5779184200000032
  0.6779294099999973  0.4442510100000021  0.6611059499999996
  0.4327429000000009  0.5934451500000009  0.4373473699999977
  0.3022585300000031  0.6721398500000006  0.5534411699999993
  0.4201031999999998  0.5533611299999990  0.6377039999999994
  0.1527701799999974  0.5887368400000028  0.4929023899999976
  0.1258455800000036  0.4109266399999996  0.5857311700000025
  0.1526817600000001  0.4155008099999975  0.3870249100000009
  0.3993355799999989  0.3017953900000023  0.4296798900000027
  0.2612311299999988  0.2423657300000031  0.5168815800000033
  0.3867825999999965  0.3046761299999972  0.6311186699999993
  0.4104908799999976  0.6139714700000027  0.3642847400000022
  0.7277750599999990  0.5801771200000019  0.3514418199999980
  0.7442806800000028  0.3777635000000004  0.3598347300000029
  0.8902223700000036  0.5787466700000010  0.4688996300000028
  0.9039087700000010  0.4805165900000006  0.6448858400000006
  0.8367458900000031  0.6634424399999972  0.6401982200000020
  0.5945774599999964  0.5097053699999989  0.6796147499999989
  0.7343868499999999  0.4550869199999994  0.7635190299999977
  0.6535654300000004  0.3244650099999973  0.6463260900000023
  0.5654690900000006  0.3804483700000034  0.3853407100000013
  0.5427938400000016  0.5111903700000013  0.4273238500000005
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00