./iterations/neb0_image07_iter4_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
  0.2920869399999972  0.4577256999999975  0.5197158499999972
  0.7424911399999985  0.4947174899999993  0.5507798300000033
  0.5908249900000015  0.4520005199999986  0.4176833200000019
  0.3605574300000001  0.5724818999999997  0.5405664600000009
  0.1768503799999976  0.4682674800000015  0.4957002599999996
  0.3370811699999976  0.3224441099999993  0.5248163400000010
  0.7028929499999990  0.4771733400000002  0.4144266099999996
  0.8455836700000035  0.5559275199999973  0.5779196800000008
  0.6779960300000027  0.4441634900000011  0.6611690800000005
  0.4334600099999975  0.5925199599999971  0.4370752299999978
  0.3022538000000026  0.6721419799999993  0.5533173899999966
  0.4199711899999983  0.5534364700000012  0.6377414500000000
  0.1526375099999981  0.5887770300000028  0.4929865399999969
  0.1257284200000015  0.4109668500000012  0.5858155800000020
  0.1525406499999988  0.4155972399999968  0.3869662399999996
  0.3992785299999966  0.3019590299999990  0.4297268799999969
  0.2610713600000025  0.2424133199999972  0.5168125300000028
  0.3866575699999970  0.3047762699999979  0.6311449399999987
  0.4106446600000027  0.6138044699999980  0.3646093600000029
  0.7278544899999986  0.5802252300000035  0.3513433000000035
  0.7441408199999984  0.3776980399999985  0.3599368799999993
  0.8903494899999984  0.5786330299999989  0.4688523700000005
  0.9040482799999978  0.4803881799999985  0.6449439800000007
  0.8368396700000034  0.6634104099999973  0.6401801399999982
  0.5946215100000032  0.5096961899999997  0.6795959399999987
  0.7345558499999996  0.4550337100000021  0.7635632499999971
  0.6536671799999993  0.3243385099999969  0.6462447700000027
  0.5653312199999974  0.3805970399999978  0.3853600999999998
  0.5424170100000012  0.5116538400000010  0.4274262599999972
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00