./iterations/neb0_image07_iter2_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
  0.2920321400000034  0.4577014300000002  0.5197177299999964
  0.7424964799999998  0.4946775700000003  0.5507465900000028
  0.5905082499999992  0.4521607200000020  0.4177036700000016
  0.3606827999999993  0.5725744699999993  0.5403395000000017
  0.1768455599999967  0.4682467299999971  0.4956850200000034
  0.3370324699999969  0.3225087799999997  0.5247861900000004
  0.7029664100000019  0.4772591300000002  0.4144260699999975
  0.8456449600000013  0.5559117800000024  0.5779287599999989
  0.6779897199999994  0.4441386000000023  0.6612329100000025
  0.4336779300000018  0.5922440499999979  0.4371305700000008
  0.3022129300000032  0.6721689600000005  0.5533292599999982
  0.4199583099999984  0.5534439300000003  0.6377925500000003
  0.1526020499999987  0.5888098900000003  0.4930067800000018
  0.1256923099999980  0.4109715399999985  0.5858508700000016
  0.1525090100000028  0.4156233799999995  0.3869557599999993
  0.3992665800000026  0.3019967399999999  0.4297384999999991
  0.2610239699999966  0.2424124100000000  0.5167976700000025
  0.3866423999999995  0.3047954500000003  0.6311784099999969
  0.4106291200000030  0.6137904200000008  0.3646375100000014
  0.7278727599999968  0.5802219999999991  0.3513286399999984
  0.7441301300000021  0.3776535100000018  0.3599512999999988
  0.8903791400000003  0.5786075899999972  0.4688364499999977
  0.9040812399999965  0.4803572599999981  0.6449576400000012
  0.8368590400000002  0.6634107599999979  0.6401801000000020
  0.5946357199999994  0.5096930200000003  0.6795848200000023
  0.7345981400000028  0.4550219400000017  0.7635725299999976
  0.6536924999999982  0.3243016999999995  0.6462193200000002
  0.5653266300000013  0.3806081000000034  0.3853617500000013
  0.5424452399999993  0.5116564900000000  0.4274436999999978
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00