vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  21:27:42 
 
 
  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 
    
   
   
           0.92694973       0.52594833       0.10710340 
           0.85017724       0.23367335       0.42764285 
           0.13874257       0.44854778       0.19294837 
           0.09341072       0.28243239       0.33329728 
           0.81946242       0.33110883       0.02701786 
           0.95479500       0.42052272       0.51708757 
           0.08234615       0.33294910       0.13801197 
           0.19698544       0.40804578       0.38822334 
           0.82968359       0.54498776       0.52773045 
           0.77218007       0.24310294       0.88121295 
           0.06430386       0.50868830       0.65226742 
           0.01360194       0.20536556       0.75854820 
           0.90255170       0.30958992       0.59394815 
           0.86380728       0.44193260       0.95506633 
           0.14050542       0.32337398       0.73632257 
           0.09941344       0.43397020       0.82012297 
           0.42265637       0.46397112       0.12065371 
           0.36137004       0.28716837       0.42274015 
           0.68851237       0.48140864       0.20776083 
           0.63753740       0.31099018       0.34262709 
           0.32508602       0.31641178       0.01146493 
           0.43346197       0.43907554       0.51914375 
           0.56328905       0.34341490       0.14211628 
           0.69142571       0.43171716       0.40173822 
           0.31527232       0.55224256       0.54977713 
           0.27222485       0.23155261       0.86412480 
           0.60207265       0.51811594       0.66455564 
           0.53721369       0.20811816       0.75360197 
           0.39571487       0.32918884       0.62008866 
           0.36785311       0.42576899       0.92285802 
           0.66624598       0.32452935       0.72483356 
           0.62896290       0.43377046       0.81723225 
           0.65766428       0.70970992       0.62141522 
           0.68042796       0.72359010       0.56012311 
           0.45955213       0.58368797       0.66848517 
   
  
  
           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       0.00000000 
  
  
          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
      104
       -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
  
  
        1
        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 
   
  
  
          0.92694973       0.52594833       0.10710340 
          0.85017724       0.23367335       0.42764285 
          0.13874257       0.44854778       0.19294837 
          0.09341072       0.28243239       0.33329728 
          0.81946242       0.33110883       0.02701786 
          0.95479500       0.42052272       0.51708757 
          0.08234615       0.33294910       0.13801197 
          0.19698544       0.40804578       0.38822334 
          0.82968359       0.54498776       0.52773045 
          0.77218007       0.24310294       0.88121295 
          0.06430386       0.50868830       0.65226742 
          0.01360194       0.20536556       0.75854820 
          0.90255170       0.30958992       0.59394815 
          0.86380728       0.44193260       0.95506633 
          0.14050542       0.32337398       0.73632257 
          0.09941344       0.43397020       0.82012297 
          0.42265637       0.46397112       0.12065371 
          0.36137004       0.28716837       0.42274015 
          0.68851237       0.48140864       0.20776083 
          0.63753740       0.31099018       0.34262709 
          0.32508602       0.31641178       0.01146493 
          0.43346197       0.43907554       0.51914375 
          0.56328905       0.34341490       0.14211628 
          0.69142571       0.43171716       0.40173822 
          0.31527232       0.55224256       0.54977713 
          0.27222485       0.23155261       0.86412480 
          0.60207265       0.51811594       0.66455564 
          0.53721369       0.20811816       0.75360197 
          0.39571487       0.32918884       0.62008866 
          0.36785311       0.42576899       0.92285802 
          0.66624598       0.32452935       0.72483356 
          0.62896290       0.43377046       0.81723225 
          0.65766428       0.70970992       0.62141522 
          0.68042796       0.72359010       0.56012311 
          0.45955213       0.58368797       0.66848517 
  
 
 
  
      14.91   15.07
      15.59   15.74
   
         24.76344702 
       8915.44923962 
     -12198.16272512 
       -264.29654537 
       3167.08814863 
      -2605.71786812 
         -0.00940961 
       -186.61253489 
       3755.32434067 
        607.82609284 
        607.83550245 
        607.82922938 
   
  
  
      18.34   18.34
      18.34   18.34
   
        -86.71827773 
        -86.70851239 
        -86.71502262 
   
  
  
      17.48   17.47
      17.48   17.48
   
       -162.17306211 
       -162.14486824 
       -162.16366416 
   
  
  
      18.29   18.29
      18.29   18.29
   
       -165.34301521 
       -165.31315142 
       -165.33306062 
   
  
  
      18.96   18.96
      19.11   19.11
   
       -165.48830414 
       -165.45829168 
       -165.47829999 
   
  
  
      18.78   18.78
      19.62   19.61
   
     -10863.01160584 
     -10863.01330124 
     -10863.01217097 
   
  
  
      16.38   16.38
      17.20   17.20
   
       -119.74077932 
       -119.76003165 
       -119.74719676 
   
  
  
      17.96   17.96
      18.74   18.74
   
       -138.25721865 
       -138.23618490 
       -138.25020740 
   
  
  
      17.48   17.48
      18.28   18.28
   
       -140.70302828 
       -140.67894808 
       -140.69500155 
   
  
  
      16.01   16.01
      16.80   16.80
   
       -139.12317593 
       -139.10124516 
       -139.11586568 
   
  
  
      16.60   16.60
      17.40   17.40
   
       -140.33743253 
       -140.31768151 
       -140.33084885 
   
  
  
      19.10   19.09
      19.88   19.87
   
       -146.15682366 
       -146.14973906 
       -146.15446212 
   
  
  
      15.65   15.65
      16.47   16.47
   
       -148.55590368 
       -148.54417845 
       -148.55199527 
   
  
  
      15.97   15.96
      16.77   16.77
   
       -154.15779524 
       -154.15847268 
       -154.15802106 
   
  
  
      16.66   16.66
      17.44   17.44
   
       -161.33275273 
       -161.33601450 
       -161.33383999 
   
  
  
      16.47   16.47
      17.24   17.24
   
       -166.44402377 
       -166.46500125 
       -166.45101626 
   
  
  
      16.67   16.67
      17.45   17.45
   
       -170.21338590 
       -170.24141707 
       -170.22272962 
   
  
  
      16.02   16.02
      16.82   16.82
   
       -173.07387016 
       -173.10078119 
       -173.08284050 
   
  
  
      16.97   16.97
      17.77   17.78
   
       -173.60769282 
       -173.63436752 
       -173.61658439 
   
  
  
      15.75   15.75
      16.62   16.62
   
       -175.80765554 
       -175.83470133 
       -175.81667080 
   
  
  
      20.73   20.72
      21.60   21.60
   
      -5788.44369491 
      -5788.45025989 
      -5788.44588324 
   
  
  
      16.51   16.51
      17.38   17.38
   
       -157.24601487 
       -157.23302805 
       -157.24168593 
   
  
  
      16.93   16.93
      17.82   17.82
   
       -167.25984780 
       -167.28911155 
       -167.26960238 
   
  
  
      17.10   17.10
      18.00   18.00
   
       -174.43163603 
       -174.45881303 
       -174.44069503 
   
  
  
      16.82   16.82
      17.69   17.68
   
       -174.59022373 
       -174.61715378 
       -174.59920042 
   
  
  
      17.82   17.82
      18.70   18.70
   
       -175.66022775 
       -175.68707540 
       -175.66917696 
   
  
  
      16.67   16.67
      17.55   17.55
   
       -177.43968916 
       -177.46655247 
       -177.44864360 
   
  
  
      20.70   20.71
      21.59   21.59
   
      -9897.31506456 
      -9897.31886311 
      -9897.31633075 
   
  
  
      15.98   15.98
      16.90   16.90
   
       -162.40989987 
       -162.42387973 
       -162.41455982 
   
  
  
      17.21   17.21
      18.10   18.10
   
       -171.58047904 
       -171.60272870 
       -171.58789559 
   
  
  
      16.20   16.19
      17.09   17.09
   
       -174.89682686 
       -174.92336643 
       -174.90567338 
   
  
  
      15.31   15.31
      16.20   16.20
   
       -176.94533833 
       -176.97208259 
       -176.95425309 
   
  
  
      12.24   12.24
      13.14   13.14
   
       -174.34023839 
       -174.36693834 
       -174.34913837