vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  22:39:04 
 
 
  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      0.73000000      0.32000000
  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 
    
   
   
           0.91354888       0.53823989       0.06389589 
           0.84672901       0.30684008       0.38666534 
           0.11520099       0.45867148       0.15769304 
           0.13014025       0.31048387       0.30785088 
           0.80115785       0.33757339       0.00501807 
           0.93569341       0.45952183       0.50504969 
           0.07950911       0.34227793       0.10089949 
           0.15396071       0.42659506       0.36392415 
           0.96413014       0.57560515       0.56148788 
           0.75902552       0.25717858       0.84433788 
           0.14527621       0.53607600       0.69206176 
           0.99861554       0.23054248       0.71300565 
           0.90309969       0.34539957       0.58577173 
           0.84579930       0.44789230       0.91906753 
           0.16179892       0.34579662       0.70754700 
           0.11390944       0.45266993       0.81985778 
           0.41884505       0.45419062       0.11451388 
           0.32723229       0.23713346       0.42518161 
           0.69854008       0.48292408       0.17292879 
           0.56273394       0.28728196       0.32443305 
           0.32116772       0.31553678       0.97906714 
           0.43841874       0.42796235       0.44477683 
           0.53974664       0.33937063       0.12739707 
           0.72211257       0.42170504       0.35821689 
           0.44183669       0.49809328       0.62182106 
           0.26607650       0.23941451       0.81835894 
           0.73960489       0.57919490       0.69141564 
           0.53585113       0.21901362       0.70923124 
           0.39349491       0.32963059       0.56504646 
           0.37502077       0.42676072       0.91117519 
           0.64738744       0.33846256       0.69564077 
           0.60323101       0.44809878       0.77588101 
           0.55455795       0.57663777       0.59529930 
           0.71628315       0.61473225       0.83106530 
           0.24152864       0.60450146       0.75871982 
           0.77979832       0.60153652       0.89906658 
   
  
  
           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 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
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         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
      108
       -1
       -1
       142.00000000
        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
         -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
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         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      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  
        28.08500000     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
        27.21602676
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
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         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  
  
 
 
        36 
         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
    O    2
    O    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           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 
   
  
  
          0.91354888       0.53823989       0.06389589 
          0.84672901       0.30684008       0.38666534 
          0.11520099       0.45867148       0.15769304 
          0.13014025       0.31048387       0.30785088 
          0.80115785       0.33757339       0.00501807 
          0.93569341       0.45952183       0.50504969 
          0.07950911       0.34227793       0.10089949 
          0.15396071       0.42659506       0.36392415 
          0.96413014       0.57560515       0.56148788 
          0.75902552       0.25717858       0.84433788 
          0.14527621       0.53607600       0.69206176 
          0.99861554       0.23054248       0.71300565 
          0.90309969       0.34539957       0.58577173 
          0.84579930       0.44789230       0.91906753 
          0.16179892       0.34579662       0.70754700 
          0.11390944       0.45266993       0.81985778 
          0.41884505       0.45419062       0.11451388 
          0.32723229       0.23713346       0.42518161 
          0.69854008       0.48292408       0.17292879 
          0.56273394       0.28728196       0.32443305 
          0.32116772       0.31553678       0.97906714 
          0.43841874       0.42796235       0.44477683 
          0.53974664       0.33937063       0.12739707 
          0.72211257       0.42170504       0.35821689 
          0.44183669       0.49809328       0.62182106 
          0.26607650       0.23941451       0.81835894 
          0.73960489       0.57919490       0.69141564 
          0.53585113       0.21901362       0.70923124 
          0.39349491       0.32963059       0.56504646 
          0.37502077       0.42676072       0.91117519 
          0.64738744       0.33846256       0.69564077 
          0.60323101       0.44809878       0.77588101 
          0.55455795       0.57663777       0.59529930 
          0.71628315       0.61473225       0.83106530 
          0.24152864       0.60450146       0.75871982 
          0.77979832       0.60153652       0.89906658 
  
 
 
  
      10.32   10.35
      12.62   12.64
   
         27.86983208 
       9550.12017134 
     -13212.59977258 
       -235.26479145 
       3513.49417245 
      -2953.91778466 
         -0.00999749 
       -212.87978888 
       4187.58753671 
        664.39957752 
        664.40957502 
        664.40291002 
   
  
  
      12.76   12.78
      12.76   12.78
   
        -86.34151542 
        -86.32452552 
        -86.33585212 
   
  
  
      12.57   12.60
      12.58   12.60
   
       -174.64660683 
       -174.63574058 
       -174.64298475 
   
  
  
      12.91   12.95
      12.92   12.95
   
       -177.72858372 
       -177.71474370 
       -177.72397038 
   
  
  
      13.37   13.44
      13.54   13.61
   
       -177.85128204 
       -177.83746082 
       -177.84667497 
   
  
  
      11.28   11.36
      13.27   13.35
   
       -146.45212769 
       -146.43598889 
       -146.44674809 
   
  
  
      11.35   11.40
      12.86   12.92
   
       -146.84319785 
       -146.83329280 
       -146.83989617 
   
  
  
      12.78   12.82
      14.22   14.26
   
       -149.33158815 
       -149.32249889 
       -149.32855840 
   
  
  
      11.49   11.56
      12.56   12.63
   
       -155.64388187 
       -155.63181797 
       -155.63986057 
   
  
  
      12.77   12.84
      13.81   13.89
   
       -159.97280655 
       -159.95789708 
       -159.96783673 
   
  
  
      11.16   11.26
      12.29   12.39
   
       -171.20817670 
       -171.22669456 
       -171.21434932 
   
  
  
      11.89   11.96
      12.99   13.06
   
       -176.94996635 
       -176.98238966 
       -176.96077412 
   
  
  
      11.15   11.22
      12.31   12.39
   
       -180.11264973 
       -180.14176315 
       -180.12235421 
   
  
  
      11.60   11.66
      12.71   12.78
   
       -180.96262832 
       -180.99116134 
       -180.97213933 
   
  
  
      11.09   11.17
      12.26   12.41
   
       -181.45915633 
       -181.48728548 
       -181.46853271