./iterations/neb1_max2_image01_iter61_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
  0.2501075999999998  0.4709013399999975  0.5466288100000014
  0.7900503999999984  0.4713232599999984  0.5474684499999967
  0.6948248200000009  0.2650490600000026  0.4199337399999976
  0.2379865099999989  0.6756268600000013  0.5926294300000023
  0.1290951900000010  0.4779984199999987  0.4922366600000032
  0.3181145499999971  0.3247816700000001  0.5378405200000032
  0.8038577900000021  0.3806603600000003  0.3968470300000035
  0.8867375100000032  0.5540656100000021  0.5845815200000004
  0.7180470300000010  0.4245388300000030  0.6521256500000021
  0.2393630400000006  0.9918019300000012  0.3546503700000017
  0.1404582500000018  0.7387225700000002  0.7034559200000032
  0.3588779700000018  0.5828485199999989  0.5929259999999985
  0.1339044300000012  0.6015513700000028  0.4889700900000022
  0.0891340100000022  0.4224952400000035  0.5931239599999998
  0.1241125000000025  0.4202064199999995  0.3709445499999973
  0.3711277900000027  0.3104495600000021  0.4214641499999985
  0.2339499799999984  0.2438668599999971  0.5242006799999999
  0.3700990500000003  0.3175640299999998  0.6369442100000029
  0.2340474700000001  0.6996323799999971  0.3560045099999982
  0.7653033799999989  0.5538665300000005  0.3499597400000027
  0.9039430199999998  0.3208458000000007  0.3126823699999974
  0.9135410499999992  0.5701263400000016  0.4649003700000023
  0.9367445700000019  0.4640679600000013  0.6489870799999977
  0.8615164699999980  0.6603008800000012  0.6473993500000006
  0.6301741999999990  0.4941035700000000  0.6806827500000026
  0.7544920899999994  0.4382358599999989  0.7574603600000032
  0.6748535300000000  0.3032540100000034  0.6497186699999986
  0.6894990400000012  0.2397868999999986  0.3390146799999982
  0.7104715899999974  0.3842953899999983  0.4426380299999977
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00