./iterations/neb0_image07_iter20_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
  0.2921192900000023  0.4572610399999988  0.5199078300000011
  0.7423573199999964  0.4948976800000011  0.5507024699999974
  0.5910938199999975  0.4513777700000006  0.4176923699999975
  0.3601853300000002  0.5726174200000003  0.5408080600000034
  0.1770577300000014  0.4680903699999988  0.4956162100000014
  0.3373318599999990  0.3222579800000034  0.5247743199999988
  0.7033247800000026  0.4770906600000018  0.4143631499999998
  0.8454355499999977  0.5561767700000004  0.5779507999999964
  0.6777858199999969  0.4443244200000009  0.6611231099999983
  0.4323643800000028  0.5943491800000018  0.4374225500000009
  0.3019822099999985  0.6722602800000033  0.5538602999999966
  0.4202241599999965  0.5532608500000009  0.6377039899999986
  0.1529247100000006  0.5887267199999968  0.4928017800000006
  0.1259174999999999  0.4108660899999990  0.5856995500000011
  0.1528264800000017  0.4153773500000000  0.3870265099999983
  0.3994163600000036  0.3016147100000026  0.4296096300000016
  0.2613638899999984  0.2422220300000006  0.5169604900000024
  0.3869734499999993  0.3045548600000032  0.6311414400000004
  0.4101314999999985  0.6141778599999981  0.3641250499999984
  0.7277377200000004  0.5802126999999970  0.3514685000000028
  0.7445726400000012  0.3777076000000008  0.3596640000000022
  0.8900933899999970  0.5788969899999969  0.4688911300000029
  0.9037854299999992  0.4806154600000028  0.6448563399999969
  0.8366213099999982  0.6635451200000020  0.6402526899999970
  0.5944960100000003  0.5097603299999989  0.6796110499999983
  0.7342439000000027  0.4551675700000004  0.7635010099999988
  0.6534539700000010  0.3245492799999994  0.6463797199999988
  0.5656343799999988  0.3799741300000008  0.3851958199999999
  0.5429790399999987  0.5110351200000025  0.4273106899999988
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00