vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 21 
  23:00:10 
 
 
  191-->195: H radical away from DMDMOS, DMDMOS (Si-OH) lost CH3 radical by H atom attack  (TSS)
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      95
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.77000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           20.00000000       0.00000000       0.00000000 
            0.00000000      15.00000000       0.00000000 
            0.00000000       0.00000000      15.00000000 
    
       4500.00000000 
    
            0.05000000       0.00000000       0.00000000 
            0.00000000       0.06666667       0.00000000 
            0.00000000       0.00000000       0.06666667 
    
   
   
           0.50821814       0.55337050       0.67140649 
           0.10326046       0.59477920       0.94921851 
           0.46264101       0.54224735       0.74519875 
           0.20095464       0.98572885       0.76161854 
           0.77707385       0.39461264       0.78125108 
           0.96611881       0.59885573       0.99683437 
           0.06274602       0.04938500       0.74222391 
           0.44140388       0.95636148       0.73976914 
           0.79782259       0.21183169       0.98765794 
           0.80257825       0.56505036       0.72616448 
           0.83642365       0.84909100       0.69017919 
           0.23314211       0.52131228       0.67131912 
           0.85682202       0.98936844       0.54781345 
           0.00679944       0.42300421       0.74446142 
           0.07478386       0.23954685       0.60698366 
           0.40704511       0.70611363       0.13275413 
           0.84917536       0.89267844       0.71798981 
           0.43122964       0.76953267       0.01214639 
           0.79692016       0.11063237       0.11583737 
           0.95662300       0.71675868       0.12519603 
           0.74204870       0.35644389       0.74437025 
           0.13212453       0.25546096       0.41229980 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
  
 
 
  
          1        1        1 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   191-->195: H radical away from DMDMOS, D
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       42
       -1
       -1
        57.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     F  
          1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        95
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000006
           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
          1.60000000
          1.00000000
    
          4
      F  
        -45
         100.00000000
          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       98
       80
       80
      196
      160
      160
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.73000000      0.77000000      0.32000000
      301
        10.00000000
       -10.00000000
         0.00000000
  
  
        1
    F  
    F  
    F  
    F  
    F  
    F  
    F  
    F  
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000     12.01100000      1.00000000
         0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      1.00000000      1.00000000
    T  
  
   T  
   F  
       0
   F  
       0
  
   --
        1
    F  
   
    F  
    F  
    F  
    F  
    F  
        -1.00000000
        0
        0
         0.00000000
         0.00000000
         0.00000000
         1.00000000
         1.00000000
         1.00000000
         1.00000000
        1
        1
        1
    F  
    F  
    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
       122.72727273
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
    F  
         0.00000000      0.00000000      0.00000000
    T  
    F  
    F  
    F  
    T  
        0
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000
  
  
    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
        -2.00000000
        -2.00000000
        -1.00000000
    F  
       -1
         0.00000000
        0
        0
       -1
       -1
       -1
       95
        1
        3
        4
        0
       -30.00000000
       -30.00000000
      -200.00000000
        0
        -0.10000000
    F  
    F  
    F  
    F  
    F  
    F  
    F  
        1
        1
        1
     2800
        0
       -1
       -1
         0.80000001
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
        22 
         4 
  
   ion
   element
   atomtype
   
    Si   1
    O    2
    O    2
    O    2
    O    2
    C    3
    C    3
    C    3
    C    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       4O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       4C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      13H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          20.00000000       0.00000000       0.00000000 
           0.00000000      15.00000000       0.00000000 
           0.00000000       0.00000000      15.00000000 
   
      4500.00000000 
   
           0.05000000       0.00000000       0.00000000 
           0.00000000       0.06666667       0.00000000 
           0.00000000       0.00000000       0.06666667 
   
  
  
          0.50821814       0.55337050       0.67140649 
          0.10326046       0.59477920       0.94921851 
          0.46264101       0.54224735       0.74519875 
          0.20095464       0.98572885       0.76161854 
          0.77707385       0.39461264       0.78125108 
          0.96611881       0.59885573       0.99683437 
          0.06274602       0.04938500       0.74222391 
          0.44140388       0.95636148       0.73976914 
          0.79782259       0.21183169       0.98765794 
          0.80257825       0.56505036       0.72616448 
          0.83642365       0.84909100       0.69017919 
          0.23314211       0.52131228       0.67131912 
          0.85682202       0.98936844       0.54781345 
          0.00679944       0.42300421       0.74446142 
          0.07478386       0.23954685       0.60698366 
          0.40704511       0.70611363       0.13275413 
          0.84917536       0.89267844       0.71798981 
          0.43122964       0.76953267       0.01214639 
          0.79692016       0.11063237       0.11583737 
          0.95662300       0.71675868       0.12519603 
          0.74204870       0.35644389       0.74437025 
          0.13212453       0.25546096       0.41229980 
  
 
 
  
       0.56    0.56
       2.32    2.32
   
          2.72167375 
        -97.56802480 
      -2026.66494391 
        163.79032268 
       1936.15224937 
      -1928.14668463 
         -0.02540182 
       -272.85951557 
       2582.84965050 
        360.24932557 
        360.27472739 
        360.25779284 
   
  
  
       0.58    0.59
       0.59    0.59
   
        114.96192643 
        114.98534217 
        114.96973168 
   
  
  
       0.54    0.54
       0.54    0.54
   
        -25.15591244 
        -25.15347545 
        -25.15510011 
   
  
  
       0.41    0.41
       0.41    0.41
   
        -55.16031234 
        -55.01767394 
        -55.11276621 
   
  
  
       0.43    0.43
       0.68    0.68
   
        -57.35813878 
        -57.21471002 
        -57.31032919 
   
  
  
       0.42    0.42
       2.35    2.35
   
       -128.93338222 
       -128.89825026 
       -128.92167157 
   
  
  
       0.48    0.48
       2.43    2.43
   
        -37.37423954 
        -37.27054014 
        -37.33967308 
   
  
  
       0.47    0.47
       2.34    2.34
   
        -39.09173899 
        -39.06379519 
        -39.08242439 
   
  
  
       0.34    0.35
       2.16    2.17
   
        -39.52797241 
        -39.56692846 
        -39.54095776 
   
  
  
       0.34    0.34
       2.19    2.19
   
        -38.38403191 
        -38.36864722 
        -38.37890368 
   
  
  
       0.32    0.32
       2.11    2.11
   
        -38.26851277 
        -38.36848361 
        -38.30183638 
   
  
  
       0.39    0.39
       2.15    2.15
   
        -36.23898334 
        -36.04541193 
        -36.17445953 
   
  
  
       0.40    0.41
       2.05    2.05
   
        -36.55772785 
        -36.44150387 
        -36.51898652 
   
  
  
       0.46    0.46
       2.20    2.20
   
        -37.40929808 
        -37.29016944 
        -37.36958853 
   
  
  
       0.50    0.51
       2.33    2.33
   
        -36.88280032 
        -36.69845397 
        -36.82135153 
   
  
  
       0.39    0.39
       2.30    2.31
   
        -36.38762332 
        -36.11164595 
        -36.29563086 
   
  
  
       0.41    0.42
       2.44    2.45
   
        -36.27170578 
        -36.07446594 
        -36.20595916 
   
  
  
       0.38    0.38
       2.36    2.36
   
        -36.90537945 
        -36.59143844 
        -36.80073245 
   
  
  
       0.44    0.45
       2.37    2.37
   
        -35.81203808 
        -35.43419630 
        -35.68609082 
   
  
  
       0.34    0.35
       2.28    2.28
   
        -35.79921548 
        -35.47768833 
        -35.69203976 
   
  
  
       0.45    0.46
       2.41    2.43
   
        -35.95754072 
        -35.77904434 
        -35.89804193 
   
  
  
       0.50    0.50
       2.54    2.54
   
        -36.32877879 
        -36.03129733 
        -36.22961831 
   
  
  
       0.36    0.37
       2.45    2.46
   
        -35.87002539 
        -35.64041156 
        -35.79348745 
   
  
  
       0.30    0.30
       2.32    2.33
   
        -35.96364613 
        -35.60468892 
        -35.84399373 
   
  
  
       0.29    0.30
       2.35    2.36
   
        -35.90952083 
        -35.64368699 
        -35.82090955 
   
  
  
       0.32    0.32
       2.43    2.43
   
        -35.84903001 
        -35.57422717 
        -35.75742906 
   
  
  
       0.30    0.31
       2.36    2.37
   
        -35.89887280 
        -35.65498436 
        -35.81757665 
   
  
  
       0.33    0.33
       2.45    2.46
   
        -35.94718527 
        -35.76866503 
        -35.88767852 
   
  
  
       0.41    0.41
       2.51    2.52
   
        -35.84161241 
        -35.55005528 
        -35.74442670 
   
  
  
       0.51    0.52