vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  06:01:30 
 
 
  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 
    
   
   
           0.92921419       0.52741834       0.10666572 
           0.84979855       0.23303730       0.42791291 
           0.13599096       0.44786769       0.19587351 
           0.09219650       0.28343774       0.33406308 
           0.81815706       0.33179131       0.02696964 
           0.95640678       0.42103425       0.51787630 
           0.08204376       0.33321667       0.13720427 
           0.19884786       0.40616145       0.39018848 
           0.83190516       0.54514662       0.52441228 
           0.77202725       0.24324656       0.88174894 
           0.06280016       0.50977879       0.65294109 
           0.01422417       0.20533377       0.75972568 
           0.90211927       0.30992666       0.59345939 
           0.86363331       0.44259942       0.95528393 
           0.13910941       0.32330031       0.73688002 
           0.09816101       0.43417925       0.81941186 
           0.42214592       0.46095929       0.12177457 
           0.36369663       0.28965235       0.42159806 
           0.69076035       0.48231506       0.20820560 
           0.64191523       0.31290282       0.34150243 
           0.32611058       0.31673253       0.01085897 
           0.43386181       0.43847883       0.52101462 
           0.56252519       0.34707820       0.14225942 
           0.69200833       0.42912280       0.40149713 
           0.31712931       0.55495917       0.54918667 
           0.27358160       0.23117805       0.86464942 
           0.59863509       0.51688129       0.65687154 
           0.53788290       0.20835578       0.75272224 
           0.39620108       0.32908372       0.62258349 
           0.36780660       0.42562575       0.92043240 
           0.66824378       0.32532947       0.72650425 
           0.62995830       0.43541461       0.81520349 
           0.65538038       0.70669528       0.62109299 
           0.67412872       0.71932341       0.56176087 
           0.45685308       0.58110760       0.67155693 
   
  
  
           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 
   
  
  
          0.92921419       0.52741834       0.10666572 
          0.84979855       0.23303730       0.42791291 
          0.13599096       0.44786769       0.19587351 
          0.09219650       0.28343774       0.33406308 
          0.81815706       0.33179131       0.02696964 
          0.95640678       0.42103425       0.51787630 
          0.08204376       0.33321667       0.13720427 
          0.19884786       0.40616145       0.39018848 
          0.83190516       0.54514662       0.52441228 
          0.77202725       0.24324656       0.88174894 
          0.06280016       0.50977879       0.65294109 
          0.01422417       0.20533377       0.75972568 
          0.90211927       0.30992666       0.59345939 
          0.86363331       0.44259942       0.95528393 
          0.13910941       0.32330031       0.73688002 
          0.09816101       0.43417925       0.81941186 
          0.42214592       0.46095929       0.12177457 
          0.36369663       0.28965235       0.42159806 
          0.69076035       0.48231506       0.20820560 
          0.64191523       0.31290282       0.34150243 
          0.32611058       0.31673253       0.01085897 
          0.43386181       0.43847883       0.52101462 
          0.56252519       0.34707820       0.14225942 
          0.69200833       0.42912280       0.40149713 
          0.31712931       0.55495917       0.54918667 
          0.27358160       0.23117805       0.86464942 
          0.59863509       0.51688129       0.65687154 
          0.53788290       0.20835578       0.75272224 
          0.39620108       0.32908372       0.62258349 
          0.36780660       0.42562575       0.92043240 
          0.66824378       0.32532947       0.72650425 
          0.62995830       0.43541461       0.81520349 
          0.65538038       0.70669528       0.62109299 
          0.67412872       0.71932341       0.56176087 
          0.45685308       0.58110760       0.67155693 
  
 
 
  
      12.58   12.61
      14.18   14.21
   
         24.76344702 
       8966.94128306 
     -12247.82058095 
       -264.14970122 
       3167.08814863 
      -2605.71786812 
         -0.00477330 
       -197.42424769 
       3755.32434067 
        599.00004812 
        599.00482142 
        599.00163922 
   
  
  
      15.61   15.63
      15.61   15.63
   
        -88.93411056 
        -88.93273873 
        -88.93365329 
   
  
  
      14.84   14.87
      14.84   14.88
   
       -162.12773057 
       -162.10281928 
       -162.11942680 
   
  
  
      15.44   15.47
      15.44   15.47
   
       -165.16429866 
       -165.13682793 
       -165.15514175 
   
  
  
      15.90   15.95
      16.13   16.18
   
       -165.31455674 
       -165.28702773 
       -165.30538040 
   
  
  
      13.01   13.07
      14.69   14.75
   
       -137.74409364 
       -137.73703485 
       -137.74174071 
   
  
  
      15.11   15.15
      16.41   16.45
   
       -566.25595144 
       -566.22632259 
       -566.24607516 
   
  
  
      14.09   14.13
      14.88   14.92
   
       -128.15598316 
       -128.13574069 
       -128.14923567 
   
  
  
      15.77   15.80
      16.67   16.70
   
       -142.07925954 
       -142.05184898 
       -142.07012269 
   
  
  
      13.49   13.53
      14.30   14.35
   
       -143.30522716 
       -143.28820687 
       -143.29955373 
   
  
  
      14.34   14.40
      15.16   15.22
   
       -150.96253350 
       -150.96377534 
       -150.96294745 
   
  
  
      13.82   13.89
      14.62   14.70
   
       -151.39816615 
       -151.40546379 
       -151.40059869 
   
  
  
      13.76   13.80
      14.53   14.58
   
       -154.36302463 
       -154.36959814 
       -154.36521580 
   
  
  
      13.98   14.03
      14.79   14.84
   
       -163.81636042 
       -163.83322004 
       -163.82198029 
   
  
  
      13.80   13.86
      14.67   14.72
   
       -167.07568590 
       -167.10129935 
       -167.08422372 
   
  
  
      13.45   13.51
      14.30   14.36
   
       -170.28266122 
       -170.30882168 
       -170.29138137 
   
  
  
      20.47   20.51
      21.41   21.45
   
     -38841.92373285 
     -38841.90294498 
     -38841.91680356 
   
  
  
      11.71   11.76
      12.52   12.58
   
       -123.69452731 
       -123.68757962 
       -123.69221142 
   
  
  
      14.92   14.98
      15.77   15.83
   
       -200.97159604 
       -200.95209246 
       -200.96509484 
   
  
  
      17.10   17.17
      17.92   17.99
   
      -1271.31183086 
      -1271.29963448 
      -1271.30776540 
   
  
  
      14.30   14.34
      15.13   15.17
   
       -165.36877388 
       -165.39519860 
       -165.37758212 
   
  
  
      15.05   15.11
      15.87   15.92
   
       -171.90519201 
       -171.93121311 
       -171.91386571