vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  08:19:10 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.32000000      0.73000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      19.66310000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       1632.96160543 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.05085668       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.93004323       0.52757165       0.10771068 
           0.85039655       0.23292517       0.42788452 
           0.13619675       0.44784919       0.19595036 
           0.09323492       0.28290969       0.33377970 
           0.81797758       0.33256421       0.02660108 
           0.95728376       0.42127903       0.51861957 
           0.08184575       0.33313675       0.13725418 
           0.19886955       0.40687827       0.39041589 
           0.83224403       0.54501354       0.52199036 
           0.77172844       0.24349696       0.88216913 
           0.06222499       0.51032923       0.65292188 
           0.01421129       0.20529876       0.76084476 
           0.90177984       0.31007049       0.59314013 
           0.86370820       0.44338618       0.95530043 
           0.13835834       0.32323536       0.73682198 
           0.09797677       0.43444597       0.81906887 
           0.42223938       0.46111336       0.12188482 
           0.36367163       0.29084578       0.42128567 
           0.68987615       0.48310689       0.20815281 
           0.64237987       0.31249954       0.34096360 
           0.32619865       0.31688050       0.01089750 
           0.43380177       0.43833958       0.52066878 
           0.56217201       0.34638856       0.14201019 
           0.69288566       0.42939065       0.40089681 
           0.31878723       0.55591102       0.55130970 
           0.27429154       0.23110790       0.86494313 
           0.59930077       0.51637948       0.65504687 
           0.53823291       0.20877776       0.75191133 
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           0.66941081       0.32582417       0.72736663 
           0.63062883       0.43589852       0.81463687 
           0.65330716       0.70419120       0.62468544 
           0.67150254       0.71750280       0.55896267 
           0.45398418       0.57975477       0.67216697 
   
  
  
           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 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
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         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
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          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       605.39200000
         0.00001000
       38
       10
      105
       -1
       -1
       136.00000000
        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
   
   
         2
     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
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       200
        -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  
        -45
         100.00000000
          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       40
       96
       54
       80
      192
      108
    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      0.32000000      0.73000000
      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      1.00000000     16.00000000
         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
        27.99362752
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
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    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
      200
        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  
  
 
 
        35 
         3 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    H    2
    H    2
    O    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      19.66310000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      1632.96160543 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.05085668       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.93004323       0.52757165       0.10771068 
          0.85039655       0.23292517       0.42788452 
          0.13619675       0.44784919       0.19595036 
          0.09323492       0.28290969       0.33377970 
          0.81797758       0.33256421       0.02660108 
          0.95728376       0.42127903       0.51861957 
          0.08184575       0.33313675       0.13725418 
          0.19886955       0.40687827       0.39041589 
          0.83224403       0.54501354       0.52199036 
          0.77172844       0.24349696       0.88216913 
          0.06222499       0.51032923       0.65292188 
          0.01421129       0.20529876       0.76084476 
          0.90177984       0.31007049       0.59314013 
          0.86370820       0.44338618       0.95530043 
          0.13835834       0.32323536       0.73682198 
          0.09797677       0.43444597       0.81906887 
          0.42223938       0.46111336       0.12188482 
          0.36367163       0.29084578       0.42128567 
          0.68987615       0.48310689       0.20815281 
          0.64237987       0.31249954       0.34096360 
          0.32619865       0.31688050       0.01089750 
          0.43380177       0.43833958       0.52066878 
          0.56217201       0.34638856       0.14201019 
          0.69288566       0.42939065       0.40089681 
          0.31878723       0.55591102       0.55130970 
          0.27429154       0.23110790       0.86494313 
          0.59930077       0.51637948       0.65504687 
          0.53823291       0.20877776       0.75191133 
          0.39675084       0.32831162       0.62334188 
          0.36795837       0.42605758       0.92028702 
          0.66941081       0.32582417       0.72736663 
          0.63062883       0.43589852       0.81463687 
          0.65330716       0.70419120       0.62468544 
          0.67150254       0.71750280       0.55896267 
          0.45398418       0.57975477       0.67216697 
  
 
 
  
      11.04   11.07
      12.56   12.59
   
         24.76344702 
       8972.93435601 
     -12254.53096693 
       -264.18881710 
       3167.08814863 
      -2605.71786812 
         -0.00517038 
       -197.05114069 
       3755.32434067 
        598.61632912 
        598.62149950 
        598.61805258 
   
  
  
      15.66   15.68
      15.67   15.68
   
        -89.23998875 
        -89.23703984 
        -89.23900578 
   
  
  
      14.87   14.88
      14.87   14.88
   
       -162.74655233 
       -162.72204007 
       -162.73838158 
   
  
  
      15.35   15.39
      15.35   15.40
   
       -165.77084175 
       -165.74441863 
       -165.76203404 
   
  
  
      16.25   16.29
      16.42   16.47
   
       -165.91930831 
       -165.89284987 
       -165.91048883 
   
  
  
      14.95   15.01
      15.78   15.83
   
     -11864.84037763 
     -11864.84194616 
     -11864.84090047 
   
  
  
      13.32   13.37
      14.35   14.41
   
       -124.63844995 
       -124.62597821 
       -124.63429271 
   
  
  
      14.36   14.43
      15.39   15.45
   
       -140.09338081 
       -140.07494739 
       -140.08723634 
   
  
  
      14.65   14.69
      15.70   15.74
   
       -133.50255485 
       -133.47114235 
       -133.49208402 
   
  
  
      15.19   15.25
      16.29   16.36
   
       -137.72342849 
       -137.69755487 
       -137.71480395 
   
  
  
      13.94   13.99
      14.83   14.88
   
       -144.78686412 
       -144.77548707 
       -144.78307177 
   
  
  
      13.50   13.54
      14.33   14.37
   
       -157.91645254 
       -157.92409058 
       -157.91899855 
   
  
  
      16.57   16.59
      17.52   17.55
   
       -166.71045668 
       -166.71212718 
       -166.71101351