./iterations/neb0_image01_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
  0.2565000800000021  0.4840233700000027  0.5228831100000022
  0.7756578700000034  0.4701078399999972  0.5477909800000020
  0.6236565199999973  0.4275989899999999  0.4147502699999990
  0.3251576500000013  0.5989012499999973  0.5434961300000012
  0.1413155400000008  0.4945690300000010  0.4988496900000001
  0.3015007400000016  0.3488343699999987  0.5279502799999989
  0.7361309899999995  0.4526942399999996  0.4114717300000024
  0.8788085300000006  0.5313429899999988  0.5749748400000030
  0.7111507099999983  0.4195694499999973  0.6582810900000027
  0.3981560599999980  0.6185568900000007  0.4402987899999999
  0.2666814600000009  0.6984931100000011  0.5564950600000031
  0.3844279899999989  0.5797672899999995  0.6409597899999966
  0.1170708300000030  0.6151342599999978  0.4961727900000028
  0.0901610700000006  0.4372948199999982  0.5890174600000009
  0.1169779499999990  0.4419474500000007  0.3901206800000026
  0.3637362300000007  0.3283212199999994  0.4329042000000030
  0.2254923200000007  0.2687354700000029  0.5199624099999980
  0.3511119699999981  0.3311192500000004  0.6343449700000008
  0.3750983700000035  0.6401132299999972  0.3678031800000028
  0.7610346600000000  0.5556535600000032  0.3483738999999986
  0.7772910500000023  0.3530836099999988  0.3569975400000018
  0.9235414700000035  0.5540384199999977  0.4658816000000030
  0.9372436900000025  0.4557878999999971  0.6420038700000035
  0.8700210000000013  0.6388425399999988  0.6372258399999993
  0.6277975100000006  0.4851246500000030  0.6766301400000003
  0.7677609300000015  0.4304532700000010  0.7606185799999992
  0.6868546800000033  0.2997321100000008  0.6432641199999978
  0.5984878300000034  0.3560402100000033  0.3824075500000035
  0.5756082600000028  0.4870875499999983  0.4244899700000033
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00