vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  05:03:15 
 
 
  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 
    
   
   
           0.92801541       0.52729619       0.10611305 
           0.85059124       0.23325530       0.42819089 
           0.13586300       0.44820267       0.19544096 
           0.09276273       0.28403763       0.33431851 
           0.81907743       0.33147537       0.02709258 
           0.95593336       0.42101406       0.51748009 
           0.08252114       0.33346343       0.13737381 
           0.19858717       0.40599152       0.38972657 
           0.83166420       0.54531363       0.52565746 
           0.77252790       0.24326796       0.88146029 
           0.06247312       0.50945561       0.65306476 
           0.01507395       0.20557132       0.75953266 
           0.90264418       0.31004600       0.59389674 
           0.86400146       0.44220987       0.95481290 
           0.14017011       0.32352204       0.73679187 
           0.09885241       0.43409500       0.81985075 
           0.42170683       0.46237253       0.12136100 
           0.36442515       0.28795070       0.42212594 
           0.69030937       0.48123417       0.20779004 
           0.64189888       0.31349244       0.34273908 
           0.32628754       0.31725940       0.01122397 
           0.43406589       0.43826308       0.52090584 
           0.56349312       0.34767417       0.14255373 
           0.69165166       0.42902222       0.40174679 
           0.31860750       0.55412200       0.54940330 
           0.27368061       0.23173708       0.86506249 
           0.59861057       0.51742603       0.65816945 
           0.53777599       0.20831067       0.75347232 
           0.39631655       0.32937722       0.62171580 
           0.36775289       0.42591444       0.92093398 
           0.66756826       0.32529070       0.72612685 
           0.62920353       0.43549589       0.81538334 
           0.65613095       0.70565311       0.62263485 
           0.67056655       0.71775936       0.56074599 
           0.45464962       0.58209933       0.66699354 
   
  
  
           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
      104
       -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
  
  
        1
        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 
   
  
  
          0.92801541       0.52729619       0.10611305 
          0.85059124       0.23325530       0.42819089 
          0.13586300       0.44820267       0.19544096 
          0.09276273       0.28403763       0.33431851 
          0.81907743       0.33147537       0.02709258 
          0.95593336       0.42101406       0.51748009 
          0.08252114       0.33346343       0.13737381 
          0.19858717       0.40599152       0.38972657 
          0.83166420       0.54531363       0.52565746 
          0.77252790       0.24326796       0.88146029 
          0.06247312       0.50945561       0.65306476 
          0.01507395       0.20557132       0.75953266 
          0.90264418       0.31004600       0.59389674 
          0.86400146       0.44220987       0.95481290 
          0.14017011       0.32352204       0.73679187 
          0.09885241       0.43409500       0.81985075 
          0.42170683       0.46237253       0.12136100 
          0.36442515       0.28795070       0.42212594 
          0.69030937       0.48123417       0.20779004 
          0.64189888       0.31349244       0.34273908 
          0.32628754       0.31725940       0.01122397 
          0.43406589       0.43826308       0.52090584 
          0.56349312       0.34767417       0.14255373 
          0.69165166       0.42902222       0.40174679 
          0.31860750       0.55412200       0.54940330 
          0.27368061       0.23173708       0.86506249 
          0.59861057       0.51742603       0.65816945 
          0.53777599       0.20831067       0.75347232 
          0.39631655       0.32937722       0.62171580 
          0.36775289       0.42591444       0.92093398 
          0.66756826       0.32529070       0.72612685 
          0.62920353       0.43549589       0.81538334 
          0.65613095       0.70565311       0.62263485 
          0.67056655       0.71775936       0.56074599 
          0.45464962       0.58209933       0.66699354 
  
 
 
  
      14.91   15.04
      15.59   15.72
   
         24.76344702 
       8975.93020794 
     -12255.81200306 
       -264.07761611 
       3167.08814863 
      -2605.71786812 
         -0.00154457 
       -187.53257770 
       3755.32434067 
        609.96453471 
        609.96607928 
        609.96504957 
   
  
  
      18.39   18.38
      18.39   18.39
   
        -86.54716944 
        -86.52372768 
        -86.53935552 
   
  
  
      17.70   17.69
      17.70   17.70
   
       -162.25971482 
       -162.23346032 
       -162.25096332 
   
  
  
      18.23   18.22
      18.23   18.23
   
       -165.32366287 
       -165.29494634 
       -165.31409069 
   
  
  
      19.33   19.32
      19.46   19.46
   
       -165.46760011 
       -165.43872576 
       -165.45797533 
   
  
  
      18.32   18.32
      19.10   19.10
   
      -8236.25544778 
      -8236.24667964 
      -8236.25252507 
   
  
  
      16.41   16.41
      17.19   17.19
   
       -120.80267725 
       -120.80048378 
       -120.80194609 
   
  
  
      18.37   18.36
      19.15   19.15
   
       -140.93338912 
       -140.92536994 
       -140.93071606 
   
  
  
      17.50   17.50
      18.29   18.29
   
       -142.98121881 
       -142.94975837 
       -142.97073200 
   
  
  
      16.24   16.24
      17.03   17.03
   
       -145.44846529 
       -145.42601276 
       -145.44098111 
   
  
  
      16.38   16.37
      17.17   17.17
   
       -143.87260757 
       -143.85253831 
       -143.86591782 
   
  
  
      16.38   16.38
      17.16   17.16
   
       -151.80643076 
       -151.80939617 
       -151.80741923 
   
  
  
      15.92   15.92
      16.73   16.73
   
       -158.01745565 
       -158.02289210 
       -158.01926780 
   
  
  
      15.44   15.43
      16.28   16.28
   
       -173.00158059 
       -173.00893764 
       -173.00403294