vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 30 
  22:22:18 
 
 
  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 
    
   
   
           0.96333090       0.42818317       0.06204001 
           0.77271705       0.17385643       0.56661570 
           0.22167492       0.35628640       0.07799888 
           0.94222345       0.18664259       0.37172498 
           0.83232877       0.23331980       0.04567848 
           0.03023010       0.38377015       0.58659433 
           0.04773742       0.24366978       0.19714212 
           0.21267745       0.40818587       0.36114591 
           0.12080040       0.52815759       0.79048901 
           0.77892966       0.18700227       0.85312322 
           0.47168867       0.41795876       0.76384784 
           0.93679115       0.10159771       0.70266983 
           0.96260728       0.26935514       0.66526116 
           0.86095575       0.34107468       0.94971598 
           0.19310724       0.22878286       0.82197325 
           0.19670947       0.31973663       0.92700389 
           0.62398557       0.29018509       0.17517197 
           0.22944009       0.31538188       0.44065599 
           0.88106917       0.46188506       0.28821470 
           0.59240039       0.29865317       0.48949009 
           0.22851605       0.12450581       0.09769144 
           0.51250143       0.56993746       0.52131523 
           0.53891807       0.16090203       0.16410518 
           0.77800553       0.39032506       0.46003942 
           0.42061008       0.57029872       0.42460422 
           0.15853745       0.10089370       0.87495612 
           0.69721338       0.58353495       0.88268425 
           0.50296399       0.12794700       0.83394485 
           0.27423189       0.46377996       0.55060516 
           0.41553301       0.23957375       0.06287785 
           0.49681516       0.23542421       0.61246735 
           0.56273887       0.31852738       0.91563999 
           0.09932615       0.63518328       0.68854480 
           0.64409579       0.69445511       0.76346009 
           0.25555971       0.71969865       0.00391247 
   
  
  
           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 
   
  
  
          0.96333090       0.42818317       0.06204001 
          0.77271705       0.17385643       0.56661570 
          0.22167492       0.35628640       0.07799888 
          0.94222345       0.18664259       0.37172498 
          0.83232877       0.23331980       0.04567848 
          0.03023010       0.38377015       0.58659433 
          0.04773742       0.24366978       0.19714212 
          0.21267745       0.40818587       0.36114591 
          0.12080040       0.52815759       0.79048901 
          0.77892966       0.18700227       0.85312322 
          0.47168867       0.41795876       0.76384784 
          0.93679115       0.10159771       0.70266983 
          0.96260728       0.26935514       0.66526116 
          0.86095575       0.34107468       0.94971598 
          0.19310724       0.22878286       0.82197325 
          0.19670947       0.31973663       0.92700389 
          0.62398557       0.29018509       0.17517197 
          0.22944009       0.31538188       0.44065599 
          0.88106917       0.46188506       0.28821470 
          0.59240039       0.29865317       0.48949009 
          0.22851605       0.12450581       0.09769144 
          0.51250143       0.56993746       0.52131523 
          0.53891807       0.16090203       0.16410518 
          0.77800553       0.39032506       0.46003942 
          0.42061008       0.57029872       0.42460422 
          0.15853745       0.10089370       0.87495612 
          0.69721338       0.58353495       0.88268425 
          0.50296399       0.12794700       0.83394485 
          0.27423189       0.46377996       0.55060516 
          0.41553301       0.23957375       0.06287785 
          0.49681516       0.23542421       0.61246735 
          0.56273887       0.31852738       0.91563999 
          0.09932615       0.63518328       0.68854480 
          0.64409579       0.69445511       0.76346009 
          0.25555971       0.71969865       0.00391247 
  
 
 
  
       5.14    5.16
       5.55    5.56
   
         24.76344702 
       4127.93138060 
      -7471.29474717 
       -281.51365463 
       3170.77911944 
      -2609.61052727 
          0.01081071 
       -130.70190311 
       3755.32434067 
        585.68826626 
        585.67745555 
        585.68466269 
   
  
  
       6.22    6.24
       6.22    6.24
   
        -47.17456220 
        -47.16575818 
        -47.17162753 
   
  
  
       6.49    6.50
       6.49    6.50
   
       -123.87838602 
       -123.87233398 
       -123.87636867 
   
  
  
       6.99    7.00
       6.99    7.00
   
       -128.28772270 
       -128.26251630 
       -128.27932056 
   
  
  
       6.75    6.76
       6.84    6.85
   
       -128.46437489 
       -128.43728411 
       -128.45534463 
   
  
  
       6.45    6.47
       6.83    6.84
   
       -132.99090916 
       -133.01409574 
       -132.99863802 
   
  
  
       5.65    5.67
       6.00    6.01
   
       -113.89785148 
       -113.88528818 
       -113.89366371 
   
  
  
       6.58    6.60
       6.93    6.96
   
       -112.99315738 
       -113.01224527 
       -112.99952001 
   
  
  
       6.40    6.43
       6.76    6.79
   
       -113.33685532 
       -113.39345001 
       -113.35572022 
   
  
  
       5.31    5.34
       5.66    5.69
   
       -114.36701261 
       -114.35146062 
       -114.36182861 
   
  
  
       5.66    5.69
       6.02    6.05
   
       -111.63910152 
       -111.65460072 
       -111.64426792 
   
  
  
       6.12    6.14
       6.53    6.54
   
       -111.61060596 
       -111.52540232 
       -111.58220475 
   
  
  
       6.09    6.12
       6.46    6.51
   
       -112.20020235 
       -112.18428203 
       -112.19489558 
   
  
  
       5.13    5.16
       5.53    5.57
   
       -111.63780833 
       -111.65021953 
       -111.64194540 
   
  
  
       2.05    2.15
       2.41    2.57
   
       -111.14667445 
       -111.00217278 
       -111.09850723