vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  20:51:03 
 
 
  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 
    
   
   
           0.93048888       0.52911499       0.10907286 
           0.85166152       0.23309105       0.42703861 
           0.13658048       0.44853555       0.19561517 
           0.09551939       0.28229163       0.33204463 
           0.81711348       0.33454552       0.02576962 
           0.95688319       0.42172540       0.51711354 
           0.08155642       0.33394245       0.13633588 
           0.20035857       0.40765973       0.39022208 
           0.82980198       0.54633779       0.51973737 
           0.77141702       0.24494819       0.88333787 
           0.05859186       0.51115030       0.65116736 
           0.01320911       0.20577336       0.76273216 
           0.90282390       0.31045014       0.59192675 
           0.86505031       0.44544425       0.95588796 
           0.13725028       0.32404497       0.73664566 
           0.09686445       0.43571232       0.81787082 
           0.42323613       0.46045446       0.12134850 
           0.36482922       0.29360035       0.42095225 
           0.68912737       0.48529207       0.20920116 
           0.64422150       0.31283398       0.33955117 
           0.32593899       0.31867299       0.00905329 
           0.43578743       0.43801135       0.52312161 
           0.56122456       0.34663333       0.14100403 
           0.69171863       0.42956679       0.40025885 
           0.31850131       0.55420480       0.55256689 
           0.27459377       0.23245450       0.86440125 
           0.60134262       0.51762461       0.65676866 
           0.53867809       0.21060845       0.75072823 
           0.39838959       0.32759632       0.62538378 
           0.36857225       0.42791940       0.91804589 
           0.67318633       0.32704372       0.72795173 
           0.63327961       0.43716540       0.81510198 
           0.65704219       0.69106082       0.62360926 
           0.65774720       0.70393175       0.56350833 
           0.45287272       0.57922942       0.67681710 
   
  
  
           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 
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          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 
   
  
  
          0.93048888       0.52911499       0.10907286 
          0.85166152       0.23309105       0.42703861 
          0.13658048       0.44853555       0.19561517 
          0.09551939       0.28229163       0.33204463 
          0.81711348       0.33454552       0.02576962 
          0.95688319       0.42172540       0.51711354 
          0.08155642       0.33394245       0.13633588 
          0.20035857       0.40765973       0.39022208 
          0.82980198       0.54633779       0.51973737 
          0.77141702       0.24494819       0.88333787 
          0.05859186       0.51115030       0.65116736 
          0.01320911       0.20577336       0.76273216 
          0.90282390       0.31045014       0.59192675 
          0.86505031       0.44544425       0.95588796 
          0.13725028       0.32404497       0.73664566 
          0.09686445       0.43571232       0.81787082 
          0.42323613       0.46045446       0.12134850 
          0.36482922       0.29360035       0.42095225 
          0.68912737       0.48529207       0.20920116 
          0.64422150       0.31283398       0.33955117 
          0.32593899       0.31867299       0.00905329 
          0.43578743       0.43801135       0.52312161 
          0.56122456       0.34663333       0.14100403 
          0.69171863       0.42956679       0.40025885 
          0.31850131       0.55420480       0.55256689 
          0.27459377       0.23245450       0.86440125 
          0.60134262       0.51762461       0.65676866 
          0.53867809       0.21060845       0.75072823 
          0.39838959       0.32759632       0.62538378 
          0.36857225       0.42791940       0.91804589 
          0.67318633       0.32704372       0.72795173 
          0.63327961       0.43716540       0.81510198 
          0.65704219       0.69106082       0.62360926 
          0.65774720       0.70393175       0.56350833 
          0.45287272       0.57922942       0.67681710 
  
 
 
  
      12.50   12.52
      13.93   13.95
   
         24.76344702 
       9022.59118306 
     -12303.34878540 
       -264.10085211 
       3167.08814863 
      -2605.71786812 
         -0.01008641 
       -197.15463177 
       3755.32434067 
        599.43489557 
        599.44498199 
        599.43825771 
   
  
  
      15.61   15.62
      15.61   15.62
   
        -88.66437227 
        -88.65865837 
        -88.66246764 
   
  
  
      14.80   14.82
      14.81   14.82
   
       -162.00432917 
       -161.97741788 
       -161.99535874 
   
  
  
      15.27   15.28
      15.27   15.28
   
       -165.04980484 
       -165.02203607 
       -165.04054858 
   
  
  
      16.32   16.35
      16.59   16.61
   
       -165.20451851 
       -165.17673762 
       -165.19525821 
   
  
  
      12.95   13.00
      14.66   14.72
   
       -137.88477710 
       -137.86831843 
       -137.87929087 
   
  
  
      15.02   15.06
      16.09   16.14
   
       -840.47077888 
       -840.43135383 
       -840.45763720 
   
  
  
      14.93   14.96
      15.96   15.99
   
       -129.09501078 
       -129.07634919 
       -129.08879025 
   
  
  
      16.32   16.37
      17.28   17.34
   
       -141.22806619 
       -141.19442048 
       -141.21685096 
   
  
  
      14.20   14.23
      15.08   15.11
   
       -149.01135109 
       -148.98683753 
       -149.00317990 
   
  
  
      14.14   14.18
      15.03   15.07
   
       -149.38780668 
       -149.38693191 
       -149.38751509 
   
  
  
      13.68   13.71
      14.58   14.60
   
       -156.56317478 
       -156.56585730 
       -156.56406895 
   
  
  
      12.69   12.75
      13.57   13.63
   
       -157.76830091 
       -157.77004082 
       -157.76888088 
   
  
  
      13.73   13.77
      14.66   14.70
   
       -165.68977914 
       -165.70037977 
       -165.69331268 
   
  
  
      13.32   13.36
      14.19   14.23
   
       -166.31756241 
       -166.34402646 
       -166.32638376 
   
  
  
      13.57   13.61
      14.72   14.77
   
       -171.71793276 
       -171.74158191 
       -171.72581581 
   
  
  
      14.83   14.86
      15.85   15.88
   
       -177.73533780 
       -177.76126600 
       -177.74398054 
   
  
  
      14.76   14.80
      15.70   15.74
   
       -174.92799792 
       -174.95441213 
       -174.93680266 
   
  
  
      12.19   12.24
      13.17   13.21
   
       -165.68541667 
       -165.71462417 
       -165.69515250 
   
  
  
      12.67   12.71
      13.69   13.73
   
       -174.23120514 
       -174.25754745 
       -174.23998591 
   
  
  
      12.85   12.89
      14.15   14.20
   
       -169.83787553 
       -169.86435298 
       -169.84670135 
   
  
  
      14.12   14.17
      15.14   15.19
   
       -173.84245198 
       -173.86856102 
       -173.85115499 
   
  
  
      13.61   13.65
      14.69   14.72
   
       -173.22111433 
       -173.24722770 
       -173.22981879 
   
  
  
      12.02   12.07
      12.97   13.02
   
       -167.20081153 
       -167.22739664 
       -167.20967323 
   
  
  
      13.26   13.29
      14.16   14.21
   
       -168.99486899 
       -169.02634514 
       -169.00536104