vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2023 04 23 
  21:47:42 
 
 
  (SnO2)9 and 2*OH (again-5)
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
       2
        0.00001000
       -0.02000000
     800
       2
       1
      400.00000000
        1.41000000      0.73000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           14.21181000       0.00000000       0.00000000 
            0.00000000       4.73727000       0.00000000 
            0.00000000       0.00000000      17.37276000 
    
       1169.62421423 
    
            0.07036401       0.00000000       0.00000000 
            0.00000000       0.21109204       0.00000000 
            0.00000000       0.00000000       0.05756138 
    
   
   
           0.16461173       0.50000003       0.65709187 
           0.16461173       0.50000003       0.84050429 
           0.33127839       0.00000003       0.74879808 
           0.33127839       0.00000003       0.24879808 
           0.16461173       0.50000003       0.15709187 
           0.16461173       0.50000003       0.34050429 
           0.48390317       0.50001627       0.68036406 
           0.49794506       0.50000003       0.84050429 
           0.66461173       0.00000003       0.74879808 
           0.66461173       0.00000003       0.24879808 
           0.49794506       0.50000003       0.15709187 
           0.50515311       0.48727624       0.31612927 
           0.83127839       0.50000003       0.65709187 
           0.83127839       0.50000003       0.84050429 
           0.99794506       0.00000003       0.74879808 
           0.99794506       0.00000003       0.24879808 
           0.83127839       0.50000003       0.15709187 
           0.83127839       0.50000003       0.34050429 
           0.22894506       0.69300003       0.74879808 
           0.06227839       0.80700003       0.65709187 
           0.06227839       0.80700003       0.84050429 
           0.26694506       0.19300003       0.84050429 
           0.26694506       0.19300003       0.65709187 
           0.10027839       0.30700003       0.74879808 
           0.22894506       0.30700003       0.24879808 
           0.06227839       0.19300003       0.15709187 
           0.06227839       0.19300003       0.34050429 
           0.10027839       0.69300003       0.24879808 
           0.26694506       0.80700003       0.34050429 
           0.26694506       0.80700003       0.15709187 
           0.56227839       0.69300003       0.74879808 
           0.39561173       0.80700003       0.65709187 
           0.39561173       0.80700003       0.84050429 
           0.60027839       0.19300003       0.84050429 
           0.60027839       0.19300003       0.65709187 
           0.43361173       0.30700003       0.74879808 
           0.56227839       0.30700003       0.24879808 
           0.39561173       0.19300003       0.15709187 
           0.39561173       0.19300003       0.34050429 
           0.43361173       0.69300003       0.24879808 
           0.60027839       0.80700003       0.34050429 
           0.60027839       0.80700003       0.15709187 
           0.48063423       0.45975336       0.55559553 
           0.50119350       0.41521771       0.44120767 
           0.89561173       0.69300003       0.74879808 
           0.72894506       0.80700003       0.65709187 
           0.72894506       0.80700003       0.84050429 
           0.93361173       0.19300003       0.84050429 
           0.93361173       0.19300003       0.65709187 
           0.76694506       0.30700003       0.74879808 
           0.89561173       0.30700003       0.24879808 
           0.72894506       0.19300003       0.15709187 
           0.72894506       0.19300003       0.34050429 
           0.76694506       0.69300003       0.24879808 
           0.93361173       0.80700003       0.34050429 
           0.93361173       0.80700003       0.15709187 
           0.44155190       0.63095558       0.53072434 
           0.48380007       0.19458670       0.45348154 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
          37 
          38 
          39 
          40 
          41 
          42 
          43 
          44 
          45 
          46 
          47 
          48 
          49 
          50 
          51 
          52 
          53 
          54 
          55 
          56 
          57 
          58 
  
 
 
  
          3        7        2 
         0.00000000       0.00000000       0.00000000 
         0.33333333       0.00000000       0.00000000 
         0.00000000       0.14285714       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.33333333       0.00000000       0.00000000 
          0.00000000       0.14285714       0.00000000 
          0.33333333       0.14285714       0.00000000 
         -0.33333333       0.14285714       0.00000000 
          0.00000000       0.28571429       0.00000000 
          0.33333333       0.28571429       0.00000000 
         -0.33333333       0.28571429       0.00000000 
          0.00000000       0.42857143       0.00000000 
          0.33333333       0.42857143       0.00000000 
         -0.33333333       0.42857143       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.33333333       0.00000000       0.50000000 
          0.00000000       0.14285714       0.50000000 
          0.33333333       0.14285714       0.50000000 
         -0.33333333       0.14285714       0.50000000 
          0.00000000       0.28571429       0.50000000 
          0.33333333       0.28571429       0.50000000 
         -0.33333333       0.28571429       0.50000000 
          0.00000000       0.42857143       0.50000000 
          0.33333333       0.42857143       0.50000000 
         -0.33333333       0.42857143       0.50000000 
  
  
          0.02380952 
          0.04761905 
          0.04761905 
          0.04761905 
          0.04761905 
          0.04761905 
          0.04761905 
          0.04761905 
          0.04761905 
          0.04761905 
          0.04761905 
          0.02380952 
          0.04761905 
          0.04761905 
          0.04761905 
          0.04761905 
          0.04761905 
          0.04761905 
          0.04761905 
          0.04761905 
          0.04761905 
          0.04761905 
  
 
 
  
   (SnO2)9 and 2*OH (again-5)
    F  
  
  
   normal
       400.00000000
       605.39200000
         0.00001000
       38
       11
      291
       -1
       -1
       482.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -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      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      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  
   
   
        60
        -5
         2
        400.00000000
    
      T  
      F  
           0.00100000
           0.00000001
           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
   
  
  
       70
       24
       90
      140
       48
      180
    F  
  
  
      800
        2
        0
        2
         0.00000000
        -0.02000000
        1
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
      800
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.41000000      0.73000000      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  
       118.71000000     16.00000000      1.00000000
         0.00000000      0.00000000      0.00000000
         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
        12.09956084
         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
       60
        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  
  
 
 
        58 
         3 
  
   ion
   element
   atomtype
   
    Sn   1
    Sn   1
    Sn   1
    Sn   1
    Sn   1
    Sn   1
    Sn   1
    Sn   1
    Sn   1
    Sn   1
    Sn   1
    Sn   1
    Sn   1
    Sn   1
    Sn   1
    Sn   1
    Sn   1
    Sn   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      18Sn    118.71000000     14.00000000  PAW_PBE Sn_d 06Sep2000                
      38O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          14.21181000       0.00000000       0.00000000 
           0.00000000       4.73727000       0.00000000 
           0.00000000       0.00000000      17.37276000 
   
      1169.62421423 
   
           0.07036401       0.00000000       0.00000000 
           0.00000000       0.21109204       0.00000000 
           0.00000000       0.00000000       0.05756138 
   
  
  
          0.16461173       0.50000003       0.65709187 
          0.16461173       0.50000003       0.84050429 
          0.33127839       0.00000003       0.74879808 
          0.33127839       0.00000003       0.24879808 
          0.16461173       0.50000003       0.15709187 
          0.16461173       0.50000003       0.34050429 
          0.48390317       0.50001627       0.68036406 
          0.49794506       0.50000003       0.84050429 
          0.66461173       0.00000003       0.74879808 
          0.66461173       0.00000003       0.24879808 
          0.49794506       0.50000003       0.15709187 
          0.50515311       0.48727624       0.31612927 
          0.83127839       0.50000003       0.65709187 
          0.83127839       0.50000003       0.84050429 
          0.99794506       0.00000003       0.74879808 
          0.99794506       0.00000003       0.24879808 
          0.83127839       0.50000003       0.15709187 
          0.83127839       0.50000003       0.34050429 
          0.22894506       0.69300003       0.74879808 
          0.06227839       0.80700003       0.65709187 
          0.06227839       0.80700003       0.84050429 
          0.26694506       0.19300003       0.84050429 
          0.26694506       0.19300003       0.65709187 
          0.10027839       0.30700003       0.74879808 
          0.22894506       0.30700003       0.24879808 
          0.06227839       0.19300003       0.15709187 
          0.06227839       0.19300003       0.34050429 
          0.10027839       0.69300003       0.24879808 
          0.26694506       0.80700003       0.34050429 
          0.26694506       0.80700003       0.15709187 
          0.56227839       0.69300003       0.74879808 
          0.39561173       0.80700003       0.65709187 
          0.39561173       0.80700003       0.84050429 
          0.60027839       0.19300003       0.84050429 
          0.60027839       0.19300003       0.65709187 
          0.43361173       0.30700003       0.74879808 
          0.56227839       0.30700003       0.24879808 
          0.39561173       0.19300003       0.15709187 
          0.39561173       0.19300003       0.34050429 
          0.43361173       0.69300003       0.24879808 
          0.60027839       0.80700003       0.34050429 
          0.60027839       0.80700003       0.15709187 
          0.48063423       0.45975336       0.55559553 
          0.50119350       0.41521771       0.44120767 
          0.89561173       0.69300003       0.74879808 
          0.72894506       0.80700003       0.65709187 
          0.72894506       0.80700003       0.84050429 
          0.93361173       0.19300003       0.84050429 
          0.93361173       0.19300003       0.65709187 
          0.76694506       0.30700003       0.74879808 
          0.89561173       0.30700003       0.24879808 
          0.72894506       0.19300003       0.15709187 
          0.72894506       0.19300003       0.34050429 
          0.76694506       0.69300003       0.24879808 
          0.93361173       0.80700003       0.34050429 
          0.93361173       0.80700003       0.15709187 
          0.44155190       0.63095558       0.53072434 
          0.48380007       0.19458670       0.45348154 
  
 
 
  
      14.95   15.09
      15.15   15.28
   
        958.02287395 
     -13453.21750092 
     -33944.49681663 
       2083.03654339 
      41413.02488901 
     -42151.55089462 
         -0.00346717 
       2477.02403996 
      50526.83911664 
       7908.67878363 
       7908.68225080 
       7908.67993935 
   
  
  
      16.01   16.14
      16.02   16.15
   
       1279.36311444 
       1279.35509325 
       1279.36044071 
   
  
  
      15.74   15.87
      15.75   15.88
   
       -215.42146252 
       -215.44554312 
       -215.42948938 
   
  
  
      16.50   16.63
      16.50   16.64
   
       -378.53831149 
       -378.55485860 
       -378.54382719 
   
  
  
      16.58   16.71
      16.93   17.06
   
       -385.56092951 
       -385.57781885 
       -385.56655929 
   
  
  
      20.91   21.05
      21.45   21.59
   
       -315.56818763 
       -315.59963354 
       -315.57866960 
   
  
  
      31.10   31.29
      31.70   31.90
   
       -318.90579272 
       -318.88103991 
       -318.89754178 
   
  
  
      35.66   35.89
      36.26   36.49
   
       -315.54444911 
       -315.57933095 
       -315.55607639