vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  05:01:48 
 
 
  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      0.73000000      0.32000000
        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      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
  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 
    
   
   
           0.90785419       0.05911993       0.15944240 
           0.51995323       0.67496286       0.92824783 
           0.43201301       0.95260471       0.03283791 
           0.84721295       0.96177044       0.93435881 
           0.74673342       0.49951428       0.22393468 
           0.18465339       0.54100521       0.70585027 
           0.86069218       0.44596090       0.32429856 
           0.73880608       0.16420021       0.43906650 
           0.82534536       0.94832620       0.90268583 
           0.96878010       0.07169784       0.61694068 
           0.34684459       0.73105120       0.44815102 
           0.98348117       0.62608538       0.66093479 
           0.95103447       0.27973159       0.81414167 
           0.40177429       0.34212910       0.43787071 
           0.58726021       0.80810263       0.39690336 
           0.24016623       0.83979849       0.41243467 
           0.47914254       0.87027700       0.69952256 
           0.60591658       0.36509812       0.10590751 
           0.26152225       0.13113595       0.19126902 
           0.08539084       0.65832936       0.86540701 
           0.82967812       0.82132269       0.01122056 
           0.90983232       0.26053812       0.50611738 
           0.70632960       0.14399405       0.27328355 
           0.44380719       0.28805183       0.66924535 
           0.24658283       0.53108879       0.17230476 
           0.71978944       0.96163114       0.68231367 
           0.79544900       0.15680495       0.52477312 
           0.80762227       0.31363764       0.40905530 
           0.87117631       0.27770429       0.49625405 
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           0.37238078       0.54584044       0.00547703 
           0.05790409       0.81474896       0.93884308 
           0.74200828       0.33409485       0.41510848 
           0.46685717       0.40232216       0.50197657 
           0.90959251       0.96729764       0.94615191 
   
  
  
           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
       88
       -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  
          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      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
         -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      0.73000000      0.32000000
      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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000      1.00000000
         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
    O    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           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 
   
  
  
          0.90785419       0.05911993       0.15944240 
          0.51995323       0.67496286       0.92824783 
          0.43201301       0.95260471       0.03283791 
          0.84721295       0.96177044       0.93435881 
          0.74673342       0.49951428       0.22393468 
          0.18465339       0.54100521       0.70585027 
          0.86069218       0.44596090       0.32429856 
          0.73880608       0.16420021       0.43906650 
          0.82534536       0.94832620       0.90268583 
          0.96878010       0.07169784       0.61694068 
          0.34684459       0.73105120       0.44815102 
          0.98348117       0.62608538       0.66093479 
          0.95103447       0.27973159       0.81414167 
          0.40177429       0.34212910       0.43787071 
          0.58726021       0.80810263       0.39690336 
          0.24016623       0.83979849       0.41243467 
          0.47914254       0.87027700       0.69952256 
          0.60591658       0.36509812       0.10590751 
          0.26152225       0.13113595       0.19126902 
          0.08539084       0.65832936       0.86540701 
          0.82967812       0.82132269       0.01122056 
          0.90983232       0.26053812       0.50611738 
          0.70632960       0.14399405       0.27328355 
          0.44380719       0.28805183       0.66924535 
          0.24658283       0.53108879       0.17230476 
          0.71978944       0.96163114       0.68231367 
          0.79544900       0.15680495       0.52477312 
          0.80762227       0.31363764       0.40905530 
          0.87117631       0.27770429       0.49625405 
          0.85458845       0.29568384       0.11402370 
          0.37238078       0.54584044       0.00547703 
          0.05790409       0.81474896       0.93884308 
          0.74200828       0.33409485       0.41510848 
          0.46685717       0.40232216       0.50197657 
          0.90959251       0.96729764       0.94615191 
  
 
 
  
   
   
   
         24.76344702 
        -51.85291895 
      -2222.90343565 
       -297.23247951 
       3170.77583059 
      -2609.60722799 
          0.00978574 
       -217.83223736 
       3755.32434067 
       1551.44510457 
       1551.43531883 
       1551.44184266 
   
  
  
   
   
   
        826.95156814 
        826.96002039 
        826.95438555 
   
  
  
   
   
   
        633.68110250 
        633.71732615 
        633.69317705 
   
  
  
   
   
   
        606.71516527 
        606.71619977 
        606.71551010 
   
  
  
   
   
   
        605.54406988 
        605.54162446 
        605.54325474 
   
  
  
   
   
   
        670.69791788 
        670.68398212 
        670.69327263 
   
  
  
   
   
   
        689.78353909 
        689.77675559 
        689.78127793 
   
  
  
   
   
   
        613.48579889 
        613.48163560 
        613.48441113 
   
  
  
   
   
   
        764.88695875 
        764.84808676 
        764.87400142 
   
  
  
   
   
   
        741.53626549 
        741.51995304 
        741.53082801 
   
  
  
   
   
   
        735.21483950 
        735.24194726 
        735.22387542 
   
  
  
   
   
   
        731.88267829 
        731.89798044 
        731.88777901 
   
  
  
   
   
   
        735.33056241 
        735.32411883 
        735.32841455 
   
  
  
   
   
   
        741.58935691 
        741.59335614 
        741.59068998 
   
  
  
   
   
   
        702.06576007 
        702.06417748 
        702.06523254 
   
  
  
   
   
   
        691.48165324 
        691.49849380 
        691.48726676 
   
  
  
   
   
   
        694.71580335 
        694.64477124 
        694.69212598 
   
  
  
   
   
   
        660.56375403 
        660.55431255 
        660.56060687 
   
  
  
   
   
   
        658.46242107 
        658.43595072 
        658.45359762 
   
  
  
   
   
   
        645.94732150 
        645.97856779 
        645.95773693 
   
  
  
   
   
   
        652.30122249 
        652.34715264 
        652.31653254 
   
  
  
   
   
   
        654.68110664 
        654.71304492 
        654.69175274 
   
  
  
   
   
   
        653.38868990 
        653.43103793 
        653.40280591 
   
  
  
   
   
   
        649.92717522 
        649.93435873 
        649.92956972 
   
  
  
   
   
   
        663.51503013 
        663.50768637 
        663.51258221 
   
  
  
   
   
   
        676.84025530 
        676.85621495 
        676.84557518 
   
  
  
   
   
   
        700.42415256 
        700.44573875 
        700.43134796 
   
  
  
   
   
   
        710.83859069 
        710.85856292 
        710.84524810 
   
  
  
   
   
   
        717.21574637 
        717.24813559 
        717.22654278 
   
  
  
   
   
   
        720.92360244 
        720.93577487 
        720.92765992 
   
  
  
   
   
   
        736.39506595 
        736.39557982 
        736.39523724 
   
  
  
   
   
   
        736.67108909 
        736.67091778 
        736.67103199 
   
  
  
   
   
   
        736.49669807 
        736.49606817 
        736.49648810 
   
  
  
   
   
   
        736.03895798 
        736.05608853 
        736.04466816 
   
  
  
   
   
   
        737.63675345 
        737.63589170 
        737.63646620 
   
  
  
   
   
   
        739.57929691 
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        739.58271300 
   
  
  
   
   
   
        762.38770658 
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        770.48204053 
        770.42409917 
        770.46272674 
   
  
  
   
   
   
        766.56993563 
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        765.63190771 
        765.58101516 
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        765.47017253 
        765.41822821 
        765.45285776 
   
  
  
   
   
   
        765.12670051 
        765.07313045 
        765.10884382 
   
  
  
   
   
   
        766.00135464 
        765.94995672 
        765.98422200 
   
  
  
   
   
   
        763.76103458 
        763.70478389 
        763.74228435 
   
  
  
   
   
   
        764.47928410 
        764.41366708 
        764.45741176 
   
  
  
   
   
   
        766.26484826 
        766.24180350 
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        764.56971322 
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        763.03521796 
        763.04467537 
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        762.24921404 
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        791.05240620 
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        780.73563144 
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        779.94341476 
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        779.08491602 
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        776.36170032 
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        790.59041389 
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        788.34953952 
        788.34405682 
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        785.89722610 
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        785.32628997 
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        781.10519073 
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        781.11247496 
   
  
  
   
   
   
        780.63602529 
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        780.63184871 
   
  
  
   
   
   
        780.41138621 
        780.40603904 
        780.40960382 
   
  
  
   
   
   
        780.45441600 
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        780.45281404 
   
  
  
   
   
   
        779.15261016 
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        756.56135914 
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        754.43043610 
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        754.91017943 
        754.91767424 
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        753.97247995 
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        753.50045487 
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        755.95028213 
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        759.34035914 
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        759.34690044 
   
  
  
   
   
   
        763.81273238 
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        757.08951544 
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