vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  22:41:05 
 
 
  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 
    
   
   
           0.91968043       0.52962709       0.10743214 
           0.85514754       0.23611387       0.42498802 
           0.13051365       0.44995716       0.20023901 
           0.10231079       0.28705345       0.33836473 
           0.81611862       0.33584420       0.02382666 
           0.95851901       0.42446035       0.52166859 
           0.08445667       0.33464945       0.13787463 
           0.20506612       0.40515727       0.39308406 
           0.84760633       0.55298280       0.50723577 
           0.77077220       0.24571101       0.88117288 
           0.05928774       0.51387546       0.65154270 
           0.02187351       0.20642603       0.76970203 
           0.90014870       0.31077383       0.59604335 
           0.85419359       0.44743876       0.95067108 
           0.14049929       0.32309182       0.73738825 
           0.09261695       0.43645563       0.81747123 
           0.41038275       0.46574728       0.12084270 
           0.38327120       0.28933683       0.41845581 
           0.68568767       0.47827826       0.20066130 
           0.65430503       0.31669552       0.34508658 
           0.33577416       0.32420813       0.01289386 
           0.43988821       0.43768359       0.53354723 
           0.56617948       0.35484353       0.14888137 
           0.68756337       0.42605161       0.40078838 
           0.30037943       0.55376168       0.52709568 
           0.28580998       0.23327457       0.87164751 
           0.60141450       0.51762461       0.63496103 
           0.54003372       0.21116201       0.74916751 
           0.40458740       0.32375798       0.62697638 
           0.36874928       0.43369995       0.91364712 
           0.67493590       0.33296419       0.73414692 
           0.63140211       0.44201684       0.80793810 
           0.67995391       0.66250250       0.70920764 
           0.63433671       0.69527404       0.48618576 
           0.41199437       0.57017085       0.69105620 
   
  
  
           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 
   
  
  
          0.91968043       0.52962709       0.10743214 
          0.85514754       0.23611387       0.42498802 
          0.13051365       0.44995716       0.20023901 
          0.10231079       0.28705345       0.33836473 
          0.81611862       0.33584420       0.02382666 
          0.95851901       0.42446035       0.52166859 
          0.08445667       0.33464945       0.13787463 
          0.20506612       0.40515727       0.39308406 
          0.84760633       0.55298280       0.50723577 
          0.77077220       0.24571101       0.88117288 
          0.05928774       0.51387546       0.65154270 
          0.02187351       0.20642603       0.76970203 
          0.90014870       0.31077383       0.59604335 
          0.85419359       0.44743876       0.95067108 
          0.14049929       0.32309182       0.73738825 
          0.09261695       0.43645563       0.81747123 
          0.41038275       0.46574728       0.12084270 
          0.38327120       0.28933683       0.41845581 
          0.68568767       0.47827826       0.20066130 
          0.65430503       0.31669552       0.34508658 
          0.33577416       0.32420813       0.01289386 
          0.43988821       0.43768359       0.53354723 
          0.56617948       0.35484353       0.14888137 
          0.68756337       0.42605161       0.40078838 
          0.30037943       0.55376168       0.52709568 
          0.28580998       0.23327457       0.87164751 
          0.60141450       0.51762461       0.63496103 
          0.54003372       0.21116201       0.74916751 
          0.40458740       0.32375798       0.62697638 
          0.36874928       0.43369995       0.91364712 
          0.67493590       0.33296419       0.73414692 
          0.63140211       0.44201684       0.80793810 
          0.67995391       0.66250250       0.70920764 
          0.63433671       0.69527404       0.48618576 
          0.41199437       0.57017085       0.69105620 
  
 
 
  
      12.39   12.40
      13.88   13.90
   
         24.76344702 
       9089.82876723 
     -12391.35963132 
       -265.48617537 
       3167.08814863 
      -2605.71786812 
         -0.00376888 
       -186.37564389 
       3755.32434067 
        588.06161597 
        588.06538485 
        588.06287227 
   
  
  
      15.60   15.61
      15.60   15.61
   
        -89.23010515 
        -89.21730463 
        -89.22583831 
   
  
  
      14.55   14.58
      14.56   14.58
   
       -161.95810907 
       -161.95808030 
       -161.95809948 
   
  
  
      15.84   15.89
      15.84   15.90
   
       -165.28205183 
       -165.28131577 
       -165.28180648 
   
  
  
      16.40   16.46
      16.66   16.72
   
       -165.43384246 
       -165.43306372 
       -165.43358288 
   
  
  
      13.42   13.48
      14.96   15.01
   
       -141.65411892 
       -141.64175028 
       -141.64999604 
   
  
  
      13.64   13.69
      14.76   14.81
   
       -138.06220607 
       -138.05163705 
       -138.05868306 
   
  
  
      14.13   14.18
      15.06   15.11
   
       -138.29499813 
       -138.28521030 
       -138.29173552 
   
  
  
      13.69   13.74
      14.64   14.70
   
       -142.11906173 
       -142.10949497 
       -142.11587281 
   
  
  
      13.27   13.33
      14.18   14.24
   
       -150.79928663 
       -150.79003585 
       -150.79620304 
   
  
  
      12.72   12.79
      13.72   13.79
   
       -159.50365589 
       -159.53142411 
       -159.51291196 
   
  
  
      13.22   13.31
      14.31   14.41
   
       -164.46175786 
       -164.49782909 
       -164.47378161 
   
  
  
      13.73   13.77
      14.62   14.66
   
       -166.33100297 
       -166.36468187 
       -166.34222927 
   
  
  
      13.59   13.64
      14.47   14.52
   
       -167.03364157 
       -167.06596300 
       -167.04441538 
   
  
  
      13.74   13.79
      14.66   14.71
   
       -167.51195819 
       -167.54451528 
       -167.52281055 
   
  
  
      15.92   15.94
      16.82   16.84
   
       -167.60714162 
       -167.63956083 
       -167.61794803 
   
  
  
      13.99   14.07
      14.88   14.96
   
       -167.73786295 
       -167.77041445 
       -167.74871345 
   
  
  
      14.19   14.23
      15.08   15.12
   
       -167.82352586 
       -167.85611725 
       -167.83438965 
   
  
  
      14.51   14.55
      15.47   15.52
   
       -167.86263136 
       -167.89519981 
       -167.87348751