vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2023 05 13 
  23:44:43 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     240
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.41000000      0.73000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            4.73727000       0.00000000       0.00000000 
            0.00000000       4.73727000       0.00000000 
            0.00000000       0.00000000      18.37276000 
    
        412.31646513 
    
            0.21109204       0.00000000       0.00000000 
            0.00000000       0.21109204       0.00000000 
            0.00000000       0.00000000       0.05442840 
    
   
   
           0.72941095       0.18014278       0.79246084 
           0.80530503       0.86405981       0.62794814 
           0.44936816       0.32263343       0.20072316 
           0.07506020       0.74165408       0.37697615 
           0.90765425       0.11262178       0.10207301 
           0.20380817       0.34636853       0.34757832 
           0.61759333       0.06381447       0.96717148 
           0.28777794       0.46269448       0.44263204 
           0.59327609       0.34138176       0.99359692 
           0.63789513       0.39768019       0.46443242 
           0.52967564       0.65958531       0.78874577 
           0.67099232       0.69280334       0.60183458 
           0.17108028       0.32247866       0.54037772 
           0.17257339       0.74793109       0.83761244 
           0.05460139       0.22634231       0.37516235 
           0.62095600       0.17622265       0.19485327 
           0.03365566       0.54812557       0.79299286 
           0.62324456       0.69417642       0.05348389 
           0.59493111       0.58931554       0.72955931 
           0.11452384       0.60966843       0.52327390 
           0.93278138       0.30881799       0.05387579 
           0.43653298       0.57766382       0.73807958 
   
  
  
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          11 
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          21 
          22 
  
 
 
  
          3        3        1 
         0.00000000       0.00000000       0.00000000 
         0.33333333       0.00000000       0.00000000 
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         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
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         -0.33333333       0.33333333       0.00000000 
  
  
          0.11111111 
          0.22222222 
          0.22222222 
          0.22222222 
          0.22222222 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       605.39200000
         0.00001000
       38
       10
      102
       -1
       -1
       170.00000000
        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
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       240
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000002
           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
          1.60000000
          1.00000000
    
          4
      F  
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          1
          1
          5
    
   
   
     F  
     F  
         0
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       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       24
       24
       90
       48
       48
      180
    F  
  
  
        0
       -1
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        2
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        0
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         0.00010000
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        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
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      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
  
  
        6
        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
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        1
        1
        1
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    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
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         0.12340000
         1.00000000
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        0
        11.24499450
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
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         0.00000000
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    F  
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    T  
    F  
    F  
    F  
    T  
        0
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    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
      240
        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 
         3 
  
   ion
   element
   atomtype
   
    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
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       6Sn    118.71000000     14.00000000  PAW_PBE Sn_d 06Sep2000                
      14O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           4.73727000       0.00000000       0.00000000 
           0.00000000       4.73727000       0.00000000 
           0.00000000       0.00000000      18.37276000 
   
       412.31646513 
   
           0.21109204       0.00000000       0.00000000 
           0.00000000       0.21109204       0.00000000 
           0.00000000       0.00000000       0.05442840 
   
  
  
          0.72941095       0.18014278       0.79246084 
          0.80530503       0.86405981       0.62794814 
          0.44936816       0.32263343       0.20072316 
          0.07506020       0.74165408       0.37697615 
          0.90765425       0.11262178       0.10207301 
          0.20380817       0.34636853       0.34757832 
          0.61759333       0.06381447       0.96717148 
          0.28777794       0.46269448       0.44263204 
          0.59327609       0.34138176       0.99359692 
          0.63789513       0.39768019       0.46443242 
          0.52967564       0.65958531       0.78874577 
          0.67099232       0.69280334       0.60183458 
          0.17108028       0.32247866       0.54037772 
          0.17257339       0.74793109       0.83761244 
          0.05460139       0.22634231       0.37516235 
          0.62095600       0.17622265       0.19485327 
          0.03365566       0.54812557       0.79299286 
          0.62324456       0.69417642       0.05348389 
          0.59493111       0.58931554       0.72955931 
          0.11452384       0.60966843       0.52327390 
          0.93278138       0.30881799       0.05387579 
          0.43653298       0.57766382       0.73807958 
  
 
 
  
       2.72    3.07
       2.76    3.11
   
        333.57168661 
      -7401.55086059 
      -8612.87019234 
        743.43099151 
      14269.25296877 
     -14517.83836857 
          0.00537626 
        238.09582483 
      17435.26881048 
       2487.36623696 
       2487.36086070 
       2487.36444487 
   
  
  
       2.64    2.87
       2.64    2.87
   
        495.45101314 
        495.47332786 
        495.45845138 
   
  
  
       2.79    3.25
       2.79    3.25
   
         44.91705571 
         44.94049465 
         44.92486869 
   
  
  
       2.83    2.98
       2.83    2.98
   
          0.59836115 
          0.55490594 
          0.58387608 
   
  
  
       2.97    3.24
       3.00    3.29
   
         -1.41971181 
         -1.46267777 
         -1.43403380 
   
  
  
       3.87    4.19
       3.93    4.28
   
         36.37753472 
         36.36041927 
         36.37182957 
   
  
  
       3.49    3.70
       3.55    3.79
   
        -68.11556508 
        -68.15001255 
        -68.12704757 
   
  
  
       3.79    4.12
       3.86    4.20
   
         31.06231970 
         31.09974744 
         31.07479561 
   
  
  
       3.42    3.66
       3.48    3.73
   
         43.41433130 
         43.35828535 
         43.39564932 
   
  
  
       3.33    3.52
       3.42    3.62
   
         47.87910063 
         47.90554419 
         47.88791515 
   
  
  
       3.64    3.83
       3.71    3.91
   
         47.64854095 
         47.61574621 
         47.63760937 
   
  
  
       3.58    4.01
       3.64    4.11
   
         49.70933210 
         49.72147748 
         49.71338056 
   
  
  
       3.13    3.36
       3.20    3.44
   
         50.02171248 
         50.01557596 
         50.01966697 
   
  
  
       3.26    3.72
       3.33    3.86
   
         50.30839646 
         50.31443439 
         50.31040911 
   
  
  
       3.50    3.68
       3.57    3.76
   
         50.65969230 
         50.67954514 
         50.66630991 
   
  
  
       3.28    3.48
       3.35    3.57
   
         50.72648996 
         50.73709309 
         50.73002434 
   
  
  
       3.48    3.88
       3.55    3.98
   
         50.76663301 
         50.79859170 
         50.77728591 
   
  
  
       3.43    3.60
       3.49    3.67
   
         50.77119948 
         50.79853678 
         50.78031191