vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 30 
  12:31:13 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       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 
    
   
   
           0.21855666       0.04582938       0.42864585 
           0.50057426       0.34362779       0.17659686 
           0.57702706       0.03620440       0.69250871 
           0.65278337       0.17910100       0.93835125 
           0.44133159       0.63804257       0.91743532 
           0.75330745       0.35338197       0.11663946 
           0.24479937       0.98978267       0.00486882 
           0.72039631       0.16018263       0.97267899 
           0.39170880       0.99769824       0.56017279 
           0.64899126       0.70003195       0.79464543 
           0.61864767       0.98576864       0.28988998 
           0.93730597       0.31009535       0.02651974 
           0.75360509       0.46877012       0.43061466 
           0.89394900       0.82885436       0.94784012 
           0.92970694       0.55488412       0.63594786 
           0.58385324       0.76010872       0.33523364 
           0.07498456       0.73686267       0.87107417 
           0.91482073       0.78944605       0.38341247 
           0.85117583       0.86817212       0.05841698 
           0.04953586       0.13577387       0.82949318 
           0.71529356       0.88465035       0.75054648 
           0.32219050       0.11573273       0.35315354 
           0.92344900       0.10129269       0.28569309 
           0.15161883       0.71781830       0.16788359 
           0.20982506       0.07586018       0.62126823 
           0.04672718       0.16613406       0.10703795 
           0.04272100       0.46402089       0.83366551 
           0.77195150       0.86304337       0.11289744 
           0.67517134       0.79479670       0.51331324 
           0.26464250       0.32105960       0.21078176 
           0.11494904       0.76189180       0.98992347 
           0.02860356       0.91336433       0.28651331 
           0.57564081       0.93874118       0.93999250 
           0.43694020       0.39974395       0.64866283 
           0.99993988       0.44833704       0.48320347 
   
  
  
           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
       87
       -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
   
   
         1
     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
           0.00000003
           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      0.32000000      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 
   
  
  
          0.21855666       0.04582938       0.42864585 
          0.50057426       0.34362779       0.17659686 
          0.57702706       0.03620440       0.69250871 
          0.65278337       0.17910100       0.93835125 
          0.44133159       0.63804257       0.91743532 
          0.75330745       0.35338197       0.11663946 
          0.24479937       0.98978267       0.00486882 
          0.72039631       0.16018263       0.97267899 
          0.39170880       0.99769824       0.56017279 
          0.64899126       0.70003195       0.79464543 
          0.61864767       0.98576864       0.28988998 
          0.93730597       0.31009535       0.02651974 
          0.75360509       0.46877012       0.43061466 
          0.89394900       0.82885436       0.94784012 
          0.92970694       0.55488412       0.63594786 
          0.58385324       0.76010872       0.33523364 
          0.07498456       0.73686267       0.87107417 
          0.91482073       0.78944605       0.38341247 
          0.85117583       0.86817212       0.05841698 
          0.04953586       0.13577387       0.82949318 
          0.71529356       0.88465035       0.75054648 
          0.32219050       0.11573273       0.35315354 
          0.92344900       0.10129269       0.28569309 
          0.15161883       0.71781830       0.16788359 
          0.20982506       0.07586018       0.62126823 
          0.04672718       0.16613406       0.10703795 
          0.04272100       0.46402089       0.83366551 
          0.77195150       0.86304337       0.11289744 
          0.67517134       0.79479670       0.51331324 
          0.26464250       0.32105960       0.21078176 
          0.11494904       0.76189180       0.98992347 
          0.02860356       0.91336433       0.28651331 
          0.57564081       0.93874118       0.93999250 
          0.43694020       0.39974395       0.64866283 
          0.99993988       0.44833704       0.48320347 
  
 
 
  
       5.14    5.15
       6.03    6.05
   
         24.76344702 
      -1039.96658964 
      -2059.56958362 
       -293.13332011 
       3170.77911944 
      -2609.61052727 
         -0.00164044 
       -173.09394819 
       3755.32434067 
        775.49129786 
        775.49293830 
        775.49184468 
   
  
  
       6.26    6.26
       6.26    6.26
   
        187.38579687 
        187.38505448 
        187.38554941 
   
  
  
       7.61    7.62
       7.61    7.62
   
         94.12300966 
         94.13426853 
         94.12676262 
   
  
  
       7.13    7.13
       7.13    7.14
   
         88.12558673 
         88.13091929 
         88.12736425 
   
  
  
       7.29    7.30
       7.36    7.37
   
         87.69309731 
         87.72077072 
         87.70232178 
   
  
  
       7.34    7.35
       7.73    7.74
   
        117.53695735 
        117.52873052 
        117.53421507 
   
  
  
       6.85    6.88
       7.23    7.26
   
         89.03278728 
         89.04485491 
         89.03680982 
   
  
  
       7.61    7.62
       7.98    8.00
   
         99.45597080 
         99.44131876 
         99.45108679 
   
  
  
       7.20    7.23
       7.58    7.62
   
        121.62244298 
        121.56084878 
        121.60191158 
   
  
  
       6.31    6.33
       6.68    6.70
   
        122.83290207 
        122.84716146 
        122.83765520 
   
  
  
       6.31    6.33
       6.67    6.70
   
        122.65978354 
        122.66149465 
        122.66035391 
   
  
  
       6.48    6.51
       6.91    6.94
   
        122.86252602 
        122.85760958 
        122.86088721 
   
  
  
       6.75    6.79
       7.09    7.14
   
        122.69196836 
        122.67954064 
        122.68782578 
   
  
  
       6.41    6.43
       6.78    6.80
   
        123.25977150 
        123.27809056 
        123.26587785 
   
  
  
       6.58    6.60
       6.98    7.01
   
        123.27881672 
        123.28501413 
        123.28088252 
   
  
  
       6.90    6.93
       7.29    7.31
   
        123.35852346 
        123.36936846 
        123.36213846 
   
  
  
       6.41    6.42
       6.84    6.86
   
        123.30135147 
        123.31947526 
        123.30739274