./iterations/neb0_image05_iter21_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
  0.2801364700000022  0.4665886399999977  0.5209211900000028
  0.7535620900000026  0.4864682099999982  0.5497750700000026
  0.6014552600000016  0.4440942299999975  0.4166704900000013
  0.3489656599999975  0.5813145500000019  0.5412915900000002
  0.1649882000000034  0.4772104899999974  0.4967210599999987
  0.3251548900000003  0.3314133100000021  0.5257851699999989
  0.7139921799999982  0.4690561299999985  0.4135259399999995
  0.8567079099999972  0.5476748600000008  0.5768703600000009
  0.6890694200000027  0.4359492900000035  0.6602202899999980
  0.4222028399999971  0.6005258499999968  0.4381990199999990
  0.2903943399999989  0.6807774700000024  0.5545277499999983
  0.4080066699999989  0.5622104500000020  0.6387916400000009
  0.1406949900000001  0.5977574300000015  0.4938911400000023
  0.1137560000000022  0.4199332800000022  0.5867294800000025
  0.1406064399999991  0.4244439000000000  0.3881306899999970
  0.3873370800000018  0.3106718900000018  0.4307286599999998
  0.2492283099999995  0.2512658500000029  0.5180544700000027
  0.3747284800000017  0.3136116499999986  0.6321054100000012
  0.3988675700000002  0.6225517000000025  0.3659619199999966
  0.7390213400000007  0.5718835200000001  0.3504155899999972
  0.7550640600000023  0.3695408099999966  0.3589549300000030
  0.9014854500000027  0.5704187099999984  0.4678562900000003
  0.9151045999999994  0.4721051699999990  0.6438575600000007
  0.8479494099999982  0.6550848899999977  0.6391920599999992
  0.6057078899999979  0.5014488799999981  0.6785036500000032
  0.7456443100000030  0.4467685099999983  0.7625165600000017
  0.6648710799999975  0.3161119399999990  0.6453097099999994
  0.5762415499999989  0.3725327100000015  0.3844553799999986
  0.5534894600000015  0.5035540299999965  0.4264574899999971
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00