./iterations/neb0_image03_iter8_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
  0.2682448099999988  0.4752337899999972  0.5220157199999989
  0.7645655700000020  0.4783310799999967  0.5486658000000020
  0.6125102000000027  0.4357673199999965  0.4156944499999966
  0.3372572700000021  0.5901847200000034  0.5418867699999979
  0.1531635799999975  0.4858820299999991  0.4978215200000022
  0.3132580999999988  0.3402232999999981  0.5268048800000003
  0.7251527600000003  0.4610374299999975  0.4124993200000020
  0.8677752999999981  0.5394842800000035  0.5760963600000011
  0.7000949899999966  0.4276652400000032  0.6593645399999986
  0.4101920700000008  0.6094982199999990  0.4392556600000006
  0.2784528199999983  0.6896561900000009  0.5556497700000023
  0.3961693700000026  0.5710048600000022  0.6398960699999989
  0.1288788100000033  0.6063724400000012  0.4950658200000007
  0.1020461900000029  0.4286114100000020  0.5878195499999990
  0.1287562199999996  0.4332000200000010  0.3891095999999976
  0.3755631599999987  0.3194970400000017  0.4318646600000022
  0.2373879599999995  0.2600120899999965  0.5190192900000028
  0.3628939800000026  0.3223704999999981  0.6332198099999999
  0.3869496599999991  0.6312763700000019  0.3670747299999988
  0.7500172499999991  0.5637350000000012  0.3493753699999971
  0.7661062399999992  0.3613013699999996  0.3579818400000008
  0.9125325400000008  0.5621997499999978  0.4668980100000013
  0.9260761600000009  0.4640104100000002  0.6429193199999972
  0.8589904099999970  0.6469558000000006  0.6381635400000008
  0.6168018099999983  0.4932742100000027  0.6775325699999968
  0.7567138000000000  0.4386109599999983  0.7615307100000024
  0.6758930199999966  0.3079655299999970  0.6442730099999991
  0.5872892000000007  0.3643067200000019  0.3834168099999999
  0.5647006800000014  0.4953002900000030  0.4255050900000015
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00