vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  12:35:46 
 
 
  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
        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      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
  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 
    
   
   
           0.93161058       0.23886641       0.21500685 
           0.96695189       0.93284859       0.45218738 
           0.21576817       0.17776045       0.16616018 
           0.14630932       0.94227931       0.33882295 
           0.91060081       0.88174328       0.39132431 
           0.91919295       0.10665674       0.28169032 
           0.30183425       0.04058286       0.19651104 
           0.30964245       0.06971464       0.21603984 
           0.87744948       0.04939444       0.99522055 
           0.87839262       0.92194399       0.90083045 
           0.42105370       0.99580789       0.52113292 
           0.18980411       0.91331043       0.86066204 
           0.85743374       0.02972500       0.66555822 
           0.93616333       0.12927069       0.95010123 
           0.14445330       0.04832608       0.64380566 
           0.16985422       0.10364660       0.22158572 
           0.37338969       0.33892352       0.86620943 
           0.41960716       0.80205077       0.42739868 
           0.54348867       0.14877384       0.24133804 
           0.73511835       0.90738700       0.32407889 
           0.42324329       0.00856315       0.16158827 
           0.40567480       0.06614228       0.27838608 
           0.47769695       0.05069330       0.22615384 
           0.59242642       0.05823213       0.20197641 
           0.24875602       0.23044923       0.30581771 
           0.36474091       0.95439900       0.83173048 
           0.33815710       0.98249125       0.49664048 
           0.68881166       0.92439182       0.81940373 
           0.37383222       0.93404901       0.86825727 
           0.36737221       0.20446084       0.00326796 
           0.66206662       0.05417555       0.68962162 
           0.54138298       0.11233996       0.14148446 
           0.94052875       0.63448367       0.17547539 
           0.66112591       0.52303005       0.06997205 
           0.75768401       0.88417967       0.40285008 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
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          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 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          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
       88
       -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  
          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      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
         -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
           0.00000003
           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      0.73000000      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
  
  
        4
        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
        27.99362752
         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
      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
    O    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1O      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 
   
  
  
          0.93161058       0.23886641       0.21500685 
          0.96695189       0.93284859       0.45218738 
          0.21576817       0.17776045       0.16616018 
          0.14630932       0.94227931       0.33882295 
          0.91060081       0.88174328       0.39132431 
          0.91919295       0.10665674       0.28169032 
          0.30183425       0.04058286       0.19651104 
          0.30964245       0.06971464       0.21603984 
          0.87744948       0.04939444       0.99522055 
          0.87839262       0.92194399       0.90083045 
          0.42105370       0.99580789       0.52113292 
          0.18980411       0.91331043       0.86066204 
          0.85743374       0.02972500       0.66555822 
          0.93616333       0.12927069       0.95010123 
          0.14445330       0.04832608       0.64380566 
          0.16985422       0.10364660       0.22158572 
          0.37338969       0.33892352       0.86620943 
          0.41960716       0.80205077       0.42739868 
          0.54348867       0.14877384       0.24133804 
          0.73511835       0.90738700       0.32407889 
          0.42324329       0.00856315       0.16158827 
          0.40567480       0.06614228       0.27838608 
          0.47769695       0.05069330       0.22615384 
          0.59242642       0.05823213       0.20197641 
          0.24875602       0.23044923       0.30581771 
          0.36474091       0.95439900       0.83173048 
          0.33815710       0.98249125       0.49664048 
          0.68881166       0.92439182       0.81940373 
          0.37383222       0.93404901       0.86825727 
          0.36737221       0.20446084       0.00326796 
          0.66206662       0.05417555       0.68962162 
          0.54138298       0.11233996       0.14148446 
          0.94052875       0.63448367       0.17547539 
          0.66112591       0.52303005       0.06997205 
          0.75768401       0.88417967       0.40285008 
  
 
 
  
   
   
   
         24.76344702 
       9665.32087387 
     -11303.97291611 
       -266.87691439 
       3170.77583059 
      -2609.60722799 
         -0.00940916 
       -458.83917418 
       3755.32434067 
       1976.87885032 
       1976.88825948 
       1976.88198671 
   
  
  
   
   
   
        918.89112732 
        918.89438252 
        918.89221239 
   
  
  
   
   
   
        622.10722222 
        622.10813788 
        622.10752744 
   
  
  
   
   
   
        582.97634287 
        582.90154927 
        582.95141167 
   
  
  
   
   
   
        579.36069741 
        579.27067431 
        579.33068971 
   
  
  
   
   
   
        735.24824439 
        735.24644869 
        735.24764583 
   
  
  
   
   
   
        848.54537369 
        848.56526517 
        848.55200419 
   
  
  
   
   
   
        870.32034313 
        870.31174946 
        870.31747857 
   
  
  
   
   
   
        864.43320061 
        864.38625050 
        864.41755057 
   
  
  
   
   
   
        825.18476822 
        825.18290109 
        825.18414584 
   
  
  
   
   
   
        522.52561826 
        522.55079323 
        522.53400992 
   
  
  
   
   
   
        417.55193752 
        417.54269184 
        417.54885562 
   
  
  
   
   
   
        469.59524694 
        469.65555142 
        469.61534843