./iterations/neb1_max2_image01_iter100_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
  0.0772884000000005  0.9810556600000027  0.6415969000000032
  0.9605835300000010  0.6558826099999990  0.7813851599999992
  0.4753158199999987  0.4147624399999970  0.4351286899999991
  0.0863791599999999  0.3139495200000013  0.7712136199999975
  0.2526040899999984  0.0609491000000020  0.4914794800000024
  0.4344966499999998  0.1203173700000022  0.8364523899999980
  0.1904690900000006  0.0111517599999971  0.8168229400000016
  0.7963239099999981  0.1167736000000019  0.5853416200000012
  0.0276425200000006  0.7603841500000001  0.3307826899999995
  0.1451913200000021  0.4423547800000023  0.3897666200000032
  0.0914598199999972  0.6251683699999973  0.3053033400000018
  0.5077007499999979  0.6556534200000002  0.1761210800000015
  0.3423060300000031  0.1348284099999972  0.3984528699999998
  0.8428001799999976  0.8960077300000009  0.8127846300000030
  0.1140813900000026  0.8054066199999994  0.0587875900000014
  0.2746274599999978  0.7442046299999987  0.3387058100000004
  0.2986956499999991  0.5512286800000012  0.7372967399999979
  0.6730156799999989  0.7579059400000006  0.8332048899999975
  0.9969980999999990  0.3170798700000006  0.5361127199999984
  0.8296766500000032  0.1982498799999988  0.6349534100000014
  0.6678874999999991  0.3152467399999992  0.4647157100000001
  0.7827815799999982  0.1834333099999981  0.3697705599999992
  0.0301966099999973  0.9066358800000032  0.7519131500000000
  0.8190461800000008  0.3518927499999975  0.7788676699999968
  0.8862850100000017  0.7806085799999991  0.6886201399999976
  0.4962884500000015  0.8139856000000023  0.7395546500000023
  0.4574439599999991  0.6597886699999975  0.7365904600000022
  0.8521052099999977  0.0101223200000007  0.3502145900000002
  0.5555950800000033  0.2057334900000001  0.3144719499999979
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00