./iterations/neb0_image05_iter1_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
  0.2801866900000007  0.4664746300000004  0.5207729199999989
  0.7535503699999992  0.4864866699999979  0.5497604899999970
  0.6015490099999994  0.4439778200000006  0.4167197800000011
  0.3488442599999999  0.5813525100000021  0.5413859399999978
  0.1650021600000002  0.4770202899999987  0.4967394999999968
  0.3251873500000002  0.3312856200000027  0.5258400900000026
  0.7140234800000016  0.4690730700000003  0.4134412399999974
  0.8567010299999964  0.5477218199999996  0.5769443499999980
  0.6890432000000004  0.4359482799999981  0.6602505999999977
  0.4218426699999966  0.6010081499999984  0.4381885999999966
  0.2903680699999995  0.6809443699999989  0.5543848699999998
  0.4081145999999976  0.5622185400000035  0.6388496000000004
  0.1407574400000016  0.5975855100000018  0.4940625999999995
  0.1138476799999992  0.4197460700000022  0.5869072699999975
  0.1406645599999976  0.4243987099999984  0.3880105000000000
  0.3874228399999993  0.3107724700000034  0.4307940099999996
  0.2491789299999994  0.2511867300000006  0.5178522200000018
  0.3747985799999967  0.3135704999999973  0.6322347799999974
  0.3987849800000021  0.6225644900000020  0.3656929899999994
  0.7389271600000029  0.5720323899999968  0.3503433999999999
  0.7551835499999981  0.3694624299999987  0.3589670499999968
  0.9014339599999985  0.5704172499999984  0.4678511099999980
  0.9151361799999975  0.4721667299999979  0.6439733799999985
  0.8479134900000034  0.6552213699999996  0.6391953500000014
  0.6056900000000027  0.5015034799999967  0.6785996500000024
  0.7456534199999965  0.4468321000000017  0.7625880900000013
  0.6647471699999983  0.3161109400000015  0.6452336299999999
  0.5763803299999992  0.3724190300000032  0.3843770599999985
  0.5535007599999986  0.5034663799999990  0.4264594699999975
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00