./iterations/neb1_max2_image01_iter3_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
  0.3094486500000002  0.4465577200000013  0.5179078000000032
  0.7273409900000019  0.5063035299999967  0.5528652300000019
  0.5847530699999979  0.4554814500000006  0.4183610700000031
  0.3742029100000011  0.5605313300000034  0.5429311899999973
  0.1931255000000007  0.4559151699999973  0.4941776399999966
  0.3540420900000001  0.3097610299999971  0.5237740900000034
  0.6866046999999966  0.4859240799999966  0.4151925700000021
  0.8296909900000031  0.5673293099999981  0.5791355400000029
  0.6631611700000022  0.4557940500000015  0.6616150199999993
  0.4406035299999971  0.5912920399999990  0.4366609699999984
  0.3179291599999985  0.6593977499999966  0.5531189000000012
  0.4358505000000008  0.5416264699999971  0.6346360499999975
  0.1694292600000011  0.5761801700000007  0.4913525899999982
  0.1422771900000015  0.3985126700000023  0.5842943999999974
  0.1692015699999985  0.4030452900000014  0.3852833500000017
  0.4157489999999981  0.2894679500000024  0.4281639800000008
  0.2778130800000014  0.2299330999999967  0.5154108999999991
  0.4033956399999994  0.2923396999999994  0.6294885499999978
  0.4248989499999993  0.6030886699999982  0.3608528199999981
  0.7124895400000000  0.5915578199999985  0.3527540299999998
  0.7304024299999980  0.3894445700000020  0.3609726899999970
  0.8748312299999981  0.5903878700000007  0.4702920100000014
  0.8887140200000019  0.4920319100000015  0.6464743100000021
  0.8213304200000024  0.6752054999999970  0.6417470800000018
  0.5793055500000008  0.5212576999999996  0.6811324499999998
  0.7189296999999968  0.4665924899999965  0.7650394100000000
  0.6379886200000016  0.3358386900000028  0.6478358499999999
  0.5513675500000019  0.3910568200000029  0.3863955699999977
  0.5295569700000016  0.5211134999999985  0.4285544600000009
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00