vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  13:56:21 
 
 
  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 
    
   
   
           0.93241982       0.53075217       0.10937495 
           0.84896936       0.23464751       0.42545788 
           0.13849387       0.45011353       0.19483231 
           0.09397921       0.28356002       0.33194893 
           0.81819864       0.33528756       0.02690314 
           0.95621285       0.42246275       0.51688355 
           0.08184028       0.33550924       0.13691701 
           0.19842685       0.40844895       0.38955587 
           0.82777458       0.54515380       0.51932731 
           0.77195327       0.24557864       0.88372998 
           0.05864712       0.51211547       0.65150189 
           0.01193073       0.20758810       0.76029455 
           0.90277824       0.31124279       0.59100179 
           0.86559567       0.44640768       0.95738511 
           0.13684528       0.32564664       0.73621333 
           0.09748060       0.43688157       0.81874321 
           0.42482693       0.46180690       0.12048665 
           0.36258363       0.29408709       0.42169219 
           0.69019936       0.48706308       0.20893059 
           0.64104259       0.31443113       0.33906485 
           0.32337965       0.31878767       0.00811506 
           0.43534532       0.43842908       0.52068574 
           0.55987204       0.34764934       0.13955360 
           0.69244912       0.43080305       0.39881466 
           0.32160091       0.55543440       0.55529217 
           0.27334712       0.23319618       0.86213480 
           0.60164851       0.51568295       0.65730904 
           0.53924918       0.21128286       0.75071539 
           0.39813846       0.32885346       0.62548611 
           0.36816050       0.42791883       0.91872201 
           0.67347600       0.32732344       0.72781136 
           0.63371299       0.43645865       0.81687618 
           0.66373374       0.67682473       0.62812332 
           0.65558617       0.69313722       0.56292566 
           0.45556163       0.57810562       0.67908176 
   
  
  
           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 
   
  
  
          0.93241982       0.53075217       0.10937495 
          0.84896936       0.23464751       0.42545788 
          0.13849387       0.45011353       0.19483231 
          0.09397921       0.28356002       0.33194893 
          0.81819864       0.33528756       0.02690314 
          0.95621285       0.42246275       0.51688355 
          0.08184028       0.33550924       0.13691701 
          0.19842685       0.40844895       0.38955587 
          0.82777458       0.54515380       0.51932731 
          0.77195327       0.24557864       0.88372998 
          0.05864712       0.51211547       0.65150189 
          0.01193073       0.20758810       0.76029455 
          0.90277824       0.31124279       0.59100179 
          0.86559567       0.44640768       0.95738511 
          0.13684528       0.32564664       0.73621333 
          0.09748060       0.43688157       0.81874321 
          0.42482693       0.46180690       0.12048665 
          0.36258363       0.29408709       0.42169219 
          0.69019936       0.48706308       0.20893059 
          0.64104259       0.31443113       0.33906485 
          0.32337965       0.31878767       0.00811506 
          0.43534532       0.43842908       0.52068574 
          0.55987204       0.34764934       0.13955360 
          0.69244912       0.43080305       0.39881466 
          0.32160091       0.55543440       0.55529217 
          0.27334712       0.23319618       0.86213480 
          0.60164851       0.51568295       0.65730904 
          0.53924918       0.21128286       0.75071539 
          0.39813846       0.32885346       0.62548611 
          0.36816050       0.42791883       0.91872201 
          0.67347600       0.32732344       0.72781136 
          0.63371299       0.43645865       0.81687618 
          0.66373374       0.67682473       0.62812332 
          0.65558617       0.69313722       0.56292566 
          0.45556163       0.57810562       0.67908176 
  
 
 
  
      12.46   12.47
      13.93   13.95
   
         24.76344702 
       9093.68694687 
     -12374.29166729 
       -263.96826426 
       3167.08814863 
      -2605.71786812 
         -0.00817798 
       -196.82012999 
       3755.32434067 
        600.05677556 
        600.06495354 
        600.05950155 
   
  
  
      15.63   15.65
      15.63   15.65
   
        -89.36936591 
        -89.36003718 
        -89.36625633 
   
  
  
      14.74   14.75
      14.74   14.75
   
       -162.71825354 
       -162.69494694 
       -162.71048467 
   
  
  
      15.33   15.39
      15.33   15.39
   
       -165.74622259 
       -165.72158644 
       -165.73801054 
   
  
  
      16.22   16.25
      16.55   16.58
   
       -165.89537162 
       -165.87068150 
       -165.88714158 
   
  
  
      14.51   14.56
      16.39   16.43
   
      -2684.07136181 
      -2684.03021348 
      -2684.05764570 
   
  
  
      13.77   13.81
      14.69   14.73
   
       -123.74395749 
       -123.76315066 
       -123.75035521 
   
  
  
      14.05   14.10
      14.98   15.03
   
       -138.76584483 
       -138.75625339 
       -138.76264768 
   
  
  
      14.90   14.95
      16.01   16.05
   
       -144.34283356 
       -144.31110910 
       -144.33225874 
   
  
  
      15.20   15.27
      16.15   16.22
   
       -146.42929005 
       -146.40319524 
       -146.42059178 
   
  
  
      13.61   13.65
      14.50   14.55
   
       -155.37244058 
       -155.37287112 
       -155.37258409 
   
  
  
      12.84   12.90
      13.88   13.94
   
       -161.16698524 
       -161.16172726 
       -161.16523258 
   
  
  
      20.33   20.36
      21.22   21.26
   
     -33330.83710488 
     -33330.82637291 
     -33330.83352756 
   
  
  
      12.42   12.47
      13.56   13.61
   
       -129.88518395 
       -129.89819957 
       -129.88952249