vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 30 
  22:22:15 
 
 
  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 
    
   
   
           0.84321476       0.43261722       0.97240587 
           0.35443428       0.92333421       0.98954865 
           0.93889215       0.10930092       0.66020630 
           0.36118714       0.77829928       0.02654211 
           0.26872955       0.49281014       0.34975901 
           0.17335614       0.69740902       0.13395655 
           0.77536886       0.13411566       0.36029677 
           0.19797529       0.94182144       0.30478353 
           0.12262762       0.41430259       0.53269672 
           0.02060851       0.26045369       0.47836623 
           0.28833974       0.90046401       0.05635804 
           0.33720120       0.31420459       0.35211920 
           0.27463897       0.30579657       0.10950690 
           0.77503869       0.60891888       0.51175305 
           0.92402222       0.28729331       0.90104458 
           0.90978910       0.19386986       0.22862999 
           0.24077015       0.41355233       0.34015932 
           0.32359921       0.90184005       0.16221399 
           0.94401018       0.29524988       0.13684189 
           0.74771160       0.92502041       0.25795904 
           0.47287913       0.30324844       0.48129865 
           0.01755283       0.15496216       0.54225941 
           0.36057019       0.07250874       0.02020184 
           0.07485155       0.60595182       0.99522120 
           0.90230872       0.83688448       0.17775842 
           0.38933377       0.21625655       0.10540034 
           0.02729554       0.50410503       0.62509505 
           0.11342657       0.70072440       0.55720545 
           0.79014829       0.24255767       0.31435749 
           0.98036044       0.46959201       0.24813263 
           0.74644396       0.55846233       0.72043582 
           0.33434813       0.27942056       0.21596358 
           0.07795707       0.83408567       0.48462086 
           0.56718514       0.12196512       0.80246828 
           0.78080737       0.87727260       0.83749854 
   
  
  
           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 
   
  
  
          0.84321476       0.43261722       0.97240587 
          0.35443428       0.92333421       0.98954865 
          0.93889215       0.10930092       0.66020630 
          0.36118714       0.77829928       0.02654211 
          0.26872955       0.49281014       0.34975901 
          0.17335614       0.69740902       0.13395655 
          0.77536886       0.13411566       0.36029677 
          0.19797529       0.94182144       0.30478353 
          0.12262762       0.41430259       0.53269672 
          0.02060851       0.26045369       0.47836623 
          0.28833974       0.90046401       0.05635804 
          0.33720120       0.31420459       0.35211920 
          0.27463897       0.30579657       0.10950690 
          0.77503869       0.60891888       0.51175305 
          0.92402222       0.28729331       0.90104458 
          0.90978910       0.19386986       0.22862999 
          0.24077015       0.41355233       0.34015932 
          0.32359921       0.90184005       0.16221399 
          0.94401018       0.29524988       0.13684189 
          0.74771160       0.92502041       0.25795904 
          0.47287913       0.30324844       0.48129865 
          0.01755283       0.15496216       0.54225941 
          0.36057019       0.07250874       0.02020184 
          0.07485155       0.60595182       0.99522120 
          0.90230872       0.83688448       0.17775842 
          0.38933377       0.21625655       0.10540034 
          0.02729554       0.50410503       0.62509505 
          0.11342657       0.70072440       0.55720545 
          0.79014829       0.24255767       0.31435749 
          0.98036044       0.46959201       0.24813263 
          0.74644396       0.55846233       0.72043582 
          0.33434813       0.27942056       0.21596358 
          0.07795707       0.83408567       0.48462086 
          0.56718514       0.12196512       0.80246828 
          0.78080737       0.87727260       0.83749854 
  
 
 
  
       5.23    5.25
       6.17    6.19
   
         24.76344702 
       -809.18786253 
      -2337.41135357 
       -286.11971431 
       3170.77911944 
      -2609.61052727 
          0.01494942 
       -203.96868139 
       3755.32434067 
        704.58371749 
        704.56876807 
        704.57873435 
   
  
  
       6.29    6.29
       6.29    6.29
   
         81.36201571 
         81.37757001 
         81.36720048 
   
  
  
       7.52    7.53
       7.52    7.53
   
        -16.36169402 
        -16.34875106 
        -16.35737970 
   
  
  
       6.97    6.98
       6.97    6.98
   
        -22.62433417 
        -22.62367536 
        -22.62411457 
   
  
  
       7.21    7.22
       7.32    7.33
   
        -22.89161031 
        -22.89293060 
        -22.89205041 
   
  
  
       6.66    6.67
       7.24    7.25
   
        -13.54987562 
        -13.56417958 
        -13.55464360 
   
  
  
       6.88    6.90
       7.28    7.30
   
         -2.18388985 
         -2.16733203 
         -2.17837058 
   
  
  
       6.79    6.82
       7.27    7.30
   
          9.64519905 
          9.63499945 
          9.64179918 
   
  
  
       6.38    6.40
       6.84    6.87
   
         18.01339645 
         18.01427342 
         18.01368877 
   
  
  
       6.57    6.60
       7.03    7.06
   
         18.86771647 
         18.88841470 
         18.87461588 
   
  
  
       6.20    6.23
       6.65    6.68
   
         20.78780423 
         20.82175851 
         20.79912232 
   
  
  
       6.10    6.12
       6.61    6.63
   
         22.08090294 
         22.09121397 
         22.08433995 
   
  
  
       6.28    6.42
       6.74    6.88
   
         20.19795846 
         20.18992209 
         20.19527967