./iterations/neb0_image03_iter13_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
  0.2682687200000018  0.4753662099999971  0.5220474799999977
  0.7645635599999991  0.4783501900000005  0.5487668299999982
  0.6125304500000013  0.4358800899999977  0.4157135600000004
  0.3371825700000031  0.5901264100000034  0.5420573800000028
  0.1531515400000032  0.4859347100000022  0.4977784800000009
  0.3132542700000016  0.3402341800000031  0.5268299199999973
  0.7250989400000023  0.4609548600000011  0.4124776700000012
  0.8677323400000034  0.5394869499999970  0.5760141499999989
  0.7001276700000005  0.4276954899999978  0.6592898899999966
  0.4104436599999985  0.6093221000000000  0.4392293699999996
  0.2784776800000017  0.6895633999999973  0.5556944300000026
  0.3960966900000003  0.5710197800000003  0.6398189299999970
  0.1288548799999987  0.6064129800000018  0.4950338399999978
  0.1020399499999982  0.4286405400000035  0.5877884900000012
  0.1287231800000015  0.4332249599999969  0.3891375899999971
  0.3755447899999993  0.3194851399999976  0.4318637699999996
  0.2373907799999984  0.2600257300000024  0.5190729700000034
  0.3628556700000019  0.3223956599999980  0.6331620999999998
  0.3869377299999996  0.6313060399999983  0.3670072199999979
  0.7500518700000001  0.5637481300000005  0.3493456899999998
  0.7660402400000024  0.3613248600000034  0.3579804199999970
  0.9125497699999983  0.5621744299999989  0.4669576000000006
  0.9260543600000020  0.4639573899999974  0.6429461399999994
  0.8590012299999970  0.6469513099999986  0.6381702199999992
  0.6168172100000007  0.4932573500000004  0.6774984099999983
  0.7567440300000001  0.4385970499999985  0.7615306799999999
  0.6759365400000021  0.3079243899999966  0.6442835300000027
  0.5871928800000035  0.3642885699999994  0.3833949099999998
  0.5647707299999993  0.4953194900000000  0.4255289199999979
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00