vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  07:04:31 
 
 
  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 
    
   
   
           0.92962969       0.52735456       0.10727555 
           0.84991491       0.23304001       0.42776791 
           0.13632888       0.44786984       0.19582602 
           0.09274702       0.28302138       0.33392899 
           0.81796843       0.33214934       0.02676235 
           0.95681427       0.42112051       0.51827268 
           0.08177726       0.33308699       0.13727768 
           0.19879569       0.40675792       0.39026182 
           0.83196622       0.54502865       0.52332057 
           0.77180177       0.24331388       0.88188417 
           0.06289318       0.51001298       0.65286972 
           0.01406104       0.20529954       0.76016628 
           0.90188854       0.30993033       0.59324764 
           0.86346474       0.44297551       0.95542243 
           0.13865692       0.32322550       0.73682578 
           0.09795287       0.43430988       0.81918505 
           0.42216902       0.46117412       0.12184963 
           0.36341792       0.29025444       0.42140944 
           0.69017511       0.48270817       0.20812964 
           0.64170665       0.31230956       0.34102600 
           0.32620299       0.31665951       0.01093946 
           0.43363337       0.43853319       0.52068806 
           0.56234521       0.34626536       0.14218648 
           0.69254670       0.42956717       0.40122248 
           0.31741682       0.55541987       0.55031139 
           0.27382314       0.23105375       0.86465982 
           0.59936129       0.51656717       0.65629651 
           0.53807832       0.20853315       0.75229792 
           0.39641403       0.32862226       0.62283752 
           0.36782261       0.42578587       0.92052166 
           0.66873224       0.32552007       0.72687275 
           0.63038821       0.43547442       0.81497399 
           0.65441475       0.70576773       0.62440590 
           0.67445084       0.71954996       0.55859834 
           0.45569962       0.58040952       0.67237062 
   
  
  
           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 
         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
      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
         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
    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 
   
  
  
          0.92962969       0.52735456       0.10727555 
          0.84991491       0.23304001       0.42776791 
          0.13632888       0.44786984       0.19582602 
          0.09274702       0.28302138       0.33392899 
          0.81796843       0.33214934       0.02676235 
          0.95681427       0.42112051       0.51827268 
          0.08177726       0.33308699       0.13727768 
          0.19879569       0.40675792       0.39026182 
          0.83196622       0.54502865       0.52332057 
          0.77180177       0.24331388       0.88188417 
          0.06289318       0.51001298       0.65286972 
          0.01406104       0.20529954       0.76016628 
          0.90188854       0.30993033       0.59324764 
          0.86346474       0.44297551       0.95542243 
          0.13865692       0.32322550       0.73682578 
          0.09795287       0.43430988       0.81918505 
          0.42216902       0.46117412       0.12184963 
          0.36341792       0.29025444       0.42140944 
          0.69017511       0.48270817       0.20812964 
          0.64170665       0.31230956       0.34102600 
          0.32620299       0.31665951       0.01093946 
          0.43363337       0.43853319       0.52068806 
          0.56234521       0.34626536       0.14218648 
          0.69254670       0.42956717       0.40122248 
          0.31741682       0.55541987       0.55031139 
          0.27382314       0.23105375       0.86465982 
          0.59936129       0.51656717       0.65629651 
          0.53807832       0.20853315       0.75229792 
          0.39641403       0.32862226       0.62283752 
          0.36782261       0.42578587       0.92052166 
          0.66873224       0.32552007       0.72687275 
          0.63038821       0.43547442       0.81497399 
          0.65441475       0.70576773       0.62440590 
          0.67445084       0.71954996       0.55859834 
          0.45569962       0.58040952       0.67237062 
  
 
 
  
      12.48   12.50
      14.53   14.56
   
         24.76344702 
       8962.04515468 
     -12244.49684473 
       -264.23105516 
       3167.08814863 
      -2605.71786812 
         -0.00344862 
       -196.72613053 
       3755.32434067 
        598.04574385 
        598.04919247 
        598.04689339 
   
  
  
      15.47   15.48
      15.47   15.48
   
        -89.34159066 
        -89.34060619 
        -89.34126250 
   
  
  
      14.83   14.86
      14.83   14.86
   
       -162.76520500 
       -162.74006827 
       -162.75682609 
   
  
  
      15.31   15.34
      15.31   15.34
   
       -165.81128703 
       -165.78416008 
       -165.80224472 
   
  
  
      16.04   16.08
      16.23   16.27
   
       -165.96139003 
       -165.93422506 
       -165.95233504 
   
  
  
      14.68   14.72
      16.40   16.44
   
      -3528.33832475 
      -3528.33929979 
      -3528.33864976 
   
  
  
      13.40   13.46
      14.58   14.64
   
       -113.02400463 
       -113.02055223 
       -113.02285383