vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 16 
  20:06:06 
 
 
  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      0.99000000      0.32000000      0.75000000
       -0.00300000      0.00000000     -0.00100000      0.00100000      0.00000000      0.01700000      0.06100000      0.01500000     -0.00100000      0.00600000      0.00100000      0.00100000      0.00100000      0.00000000     -0.00300000      0.00000000      0.01800000      0.01000000      0.00400000      0.00000000
     -0.00400000     -0.00100000      0.00100000      0.17200000      0.01700000      0.00000000      0.01700000     -0.04100000      0.00600000      0.00000000      0.00000000      0.00100000      0.00000000     -0.00100000     -0.00800000      0.02300000      0.00100000      0.00400000      0.00000000      0.00000000
      0.00000000     -0.00100000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00200000      0.00100000      0.00600000     -0.00100000      0.01400000      0.00100000     -0.00200000      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      0.10600000      0.00400000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      25.32620000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       2103.26511137 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.03948480       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.01938531       0.46128454       0.07535478 
           0.00834156       0.54310033       0.43405758 
           0.27291037       0.46353174       0.19416604 
           0.26241219       0.54184696       0.31281077 
           0.00181441       0.23760172       0.43215305 
           0.25181441       0.23760172       0.31716765 
           0.00181441       0.31051908       0.06277019 
           0.25181441       0.31051908       0.18655051 
           0.00181441       0.38702321       0.43638264 
           0.25181441       0.38702321       0.31293806 
           0.01090492       0.46507187       0.55524348 
           0.01648698       0.54061576       0.95670834 
           0.25461377       0.46882557       0.69166965 
           0.23915253       0.55132702       0.81442904 
           0.25181441       0.23760172       0.81716765 
           0.00181441       0.31051908       0.56277019 
           0.25181441       0.31051908       0.68655051 
           0.00181441       0.38702321       0.93638264 
           0.25181441       0.38702321       0.81293806 
           0.51112515       0.46740686       0.05163230 
           0.51721496       0.54471124       0.43560497 
           0.75321654       0.46270497       0.19191347 
           0.76238627       0.54013966       0.30665712 
           0.50181441       0.23760172       0.43215305 
           0.75181441       0.23760172       0.31716765 
           0.50181441       0.31051908       0.06277019 
           0.75181441       0.31051908       0.18655051 
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           0.75181441       0.38702321       0.31293806 
           0.50412065       0.46605406       0.55991400 
           0.48645078       0.55319495       0.94107751 
           0.76066382       0.46485682       0.67994923 
           0.75384185       0.53042419       0.84324463 
           0.50181441       0.23760172       0.93215305 
           0.75181441       0.23760172       0.81716765 
           0.75181441       0.31051908       0.68655051 
           0.50181441       0.38702321       0.93638264 
           0.75181441       0.38702321       0.81293806 
           0.10788159       0.66822865       0.78693500 
           0.51763500       0.66555794       0.47752871 
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           0.54012633       0.60202675       0.51444625 
           0.98614477       0.59415079       0.53087073 
           0.27435974       0.59434934       0.21410672 
           0.02774284       0.59204471       0.05524793 
           0.76942272       0.59021539       0.20302116 
           0.50995282       0.60357825       0.04016539 
           0.70880606       0.47456054       0.93281029 
           0.98630954       0.18385414       0.52887413 
           0.24702990       0.18408507       0.21943812 
           0.18178979       0.17766280       0.79089164 
           0.77950921       0.18303043       0.22894211 
           0.51306856       0.18547776       0.03056255 
           0.82021011       0.18125597       0.75317346 
           0.25987398       0.69965462       0.92168382 
           0.73804721       0.68820132       0.38269721 
           0.85834645       0.66122924       0.85099047 
           0.53566289       0.70506489       0.63947000 
           0.08745904       0.71809038       0.64199936 
           0.07796067       0.60035026       0.58708451 
           0.17058066       0.59689928       0.15473386 
           0.92156769       0.59541417       0.11222432 
           0.66687655       0.59728237       0.14809419 
           0.41561479       0.60561041       0.10497824 
           0.81228515       0.45122522       0.94825289 
           0.27239275       0.71357373       0.40844934 
           0.30486777       0.65755092       0.33113075 
           0.99647928       0.14934621       0.48997444 
           0.12921806       0.17363333       0.19504222 
           0.05591880       0.17268825       0.77388310 
           0.69696722       0.17863130       0.15955356 
           0.41151381       0.18117879       0.08638844 
           0.85662061       0.18315148       0.66457224 
           0.32428578       0.77957034       0.32475429 
           0.31991524       0.67994736       0.40911610 
   
  
  
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          64 
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          68 
          69 
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          71 
          72 
          73 
          74 
          75 
  
 
 
  
          3        1        2 
         0.00000000       0.00000000       0.00000000 
         0.33333333       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 
          0.33333333       0.00000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.33333333       0.00000000       0.50000000 
  
  
          0.16666667 
          0.33333333 
          0.16666667 
          0.33333333 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       627.11200000
         0.00001000
       38
       10
      187
       -1
       -1
       299.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
         -0.00300000      0.00000000     -0.00100000      0.00100000      0.00000000      0.01700000      0.06100000      0.01500000     -0.00100000      0.00600000      0.00100000      0.00100000      0.00100000      0.00000000     -0.00300000      0.00000000      0.01800000      0.01000000      0.00400000      0.00000000
     -0.00400000     -0.00100000      0.00100000      0.17200000      0.01700000      0.00000000      0.01700000     -0.04100000      0.00600000      0.00000000      0.00000000      0.00100000      0.00000000     -0.00100000     -0.00800000      0.02300000      0.00100000      0.00400000      0.00000000      0.00000000
      0.00000000     -0.00100000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00200000      0.00100000      0.00600000     -0.00100000      0.01400000      0.00100000     -0.00200000      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      0.10600000      0.00400000
         -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
           0.00000001
           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
      126
       54
       80
      252
      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      0.99000000      0.32000000      0.75000000
      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     16.00000000     35.45300000      1.00000000     14.00100000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      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
        16.82612089
         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  
  
 
 
        75 
         5 
  
   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
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    Cl   3
    Cl   3
    Cl   3
    Cl   3
    Cl   3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    N    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      40Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      14O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       5Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
      15H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      25.32620000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      2103.26511137 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.03948480       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.01938531       0.46128454       0.07535478 
          0.00834156       0.54310033       0.43405758 
          0.27291037       0.46353174       0.19416604 
          0.26241219       0.54184696       0.31281077 
          0.00181441       0.23760172       0.43215305 
          0.25181441       0.23760172       0.31716765 
          0.00181441       0.31051908       0.06277019 
          0.25181441       0.31051908       0.18655051 
          0.00181441       0.38702321       0.43638264 
          0.25181441       0.38702321       0.31293806 
          0.01090492       0.46507187       0.55524348 
          0.01648698       0.54061576       0.95670834 
          0.25461377       0.46882557       0.69166965 
          0.23915253       0.55132702       0.81442904 
          0.25181441       0.23760172       0.81716765 
          0.00181441       0.31051908       0.56277019 
          0.25181441       0.31051908       0.68655051 
          0.00181441       0.38702321       0.93638264 
          0.25181441       0.38702321       0.81293806 
          0.51112515       0.46740686       0.05163230 
          0.51721496       0.54471124       0.43560497 
          0.75321654       0.46270497       0.19191347 
          0.76238627       0.54013966       0.30665712 
          0.50181441       0.23760172       0.43215305 
          0.75181441       0.23760172       0.31716765 
          0.50181441       0.31051908       0.06277019 
          0.75181441       0.31051908       0.18655051 
          0.50181441       0.38702321       0.43638264 
          0.75181441       0.38702321       0.31293806 
          0.50412065       0.46605406       0.55991400 
          0.48645078       0.55319495       0.94107751 
          0.76066382       0.46485682       0.67994923 
          0.75384185       0.53042419       0.84324463 
          0.50181441       0.23760172       0.93215305 
          0.75181441       0.23760172       0.81716765 
          0.75181441       0.31051908       0.68655051 
          0.50181441       0.38702321       0.93638264 
          0.75181441       0.38702321       0.81293806 
          0.10788159       0.66822865       0.78693500 
          0.51763500       0.66555794       0.47752871 
          0.18441985       0.60987180       0.74304967 
          0.54012633       0.60202675       0.51444625 
          0.98614477       0.59415079       0.53087073 
          0.27435974       0.59434934       0.21410672 
          0.02774284       0.59204471       0.05524793 
          0.76942272       0.59021539       0.20302116 
          0.50995282       0.60357825       0.04016539 
          0.70880606       0.47456054       0.93281029 
          0.98630954       0.18385414       0.52887413 
          0.24702990       0.18408507       0.21943812 
          0.18178979       0.17766280       0.79089164 
          0.77950921       0.18303043       0.22894211 
          0.51306856       0.18547776       0.03056255 
          0.82021011       0.18125597       0.75317346 
          0.25987398       0.69965462       0.92168382 
          0.73804721       0.68820132       0.38269721 
          0.85834645       0.66122924       0.85099047 
          0.53566289       0.70506489       0.63947000 
          0.08745904       0.71809038       0.64199936 
          0.07796067       0.60035026       0.58708451 
          0.17058066       0.59689928       0.15473386 
          0.92156769       0.59541417       0.11222432 
          0.66687655       0.59728237       0.14809419 
          0.41561479       0.60561041       0.10497824 
          0.81228515       0.45122522       0.94825289 
          0.27239275       0.71357373       0.40844934 
          0.30486777       0.65755092       0.33113075 
          0.99647928       0.14934621       0.48997444 
          0.12921806       0.17363333       0.19504222 
          0.05591880       0.17268825       0.77388310 
          0.69696722       0.17863130       0.15955356 
          0.41151381       0.18117879       0.08638844 
          0.85662061       0.18315148       0.66457224 
          0.32428578       0.77957034       0.32475429 
          0.31991524       0.67994736       0.40911610 
  
  
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      35.62   35.73
      36.64   36.75
   
        123.65170997 
      23501.81957098 
     -34978.01011117 
        173.26723674 
      10239.95902789 
      -9563.30171726 
         -0.02588709 
       -346.07942622 
      12674.55391393 
       1825.83431776 
       1825.86020486 
       1825.84294680 
   
  
  
      50.93   50.92
      50.93   50.92
   
       -109.97553819 
       -109.95604194 
       -109.96903944 
   
  
  
      45.84   45.83
      45.84   45.83
   
       -406.51618601 
       -406.45346206 
       -406.49527803 
   
  
  
      48.08   48.07
      48.08   48.07
   
       -419.91669123 
       -419.85267664 
       -419.89535303 
   
  
  
      49.40   49.39
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       -420.41690203 
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      49.45   49.44
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      45.74   45.73
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       -395.00364164 
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      48.80   48.79
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       -394.37305933 
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      46.93   46.92
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       -393.70474714 
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      46.73   46.73
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      46.05   46.05
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      46.43   46.42
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      44.28   44.27
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      48.49   48.48
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      47.78   47.77
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      46.41   46.40
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       -392.89176663 
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      50.97   50.96
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      44.71   44.71
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      47.08   47.07
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      34.15   34.14
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      32.41   32.41
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      45.75   45.74
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      43.93   43.92
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      44.26   44.26
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      43.32   43.31
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      39.28   39.28
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      43.17   43.17
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      38.42   38.41
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      36.33   36.33
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