vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 12 
  16:32:24 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.99000000      0.32000000
  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 
    
   
   
           0.01141946       0.46299358       0.07772290 
           0.01404904       0.56515320       0.48093289 
           0.27789538       0.46059990       0.17929081 
           0.21276375       0.56278538       0.27110222 
           0.00383078       0.23934099       0.43374902 
           0.25383078       0.23934099       0.31876362 
           0.00383078       0.31225835       0.06436616 
           0.25383078       0.31225835       0.18814648 
           0.00383078       0.38876248       0.43797861 
           0.25383078       0.38876248       0.31453403 
           0.01103600       0.46715737       0.57197574 
           0.01445134       0.55456208       0.97589094 
           0.25369560       0.46634267       0.69760230 
           0.24362805       0.56381833       0.79880431 
           0.25383078       0.23934099       0.81876362 
           0.00383078       0.31225835       0.56436616 
           0.25383078       0.31225835       0.68814648 
           0.00383078       0.38876248       0.93797861 
           0.25383078       0.38876248       0.81453403 
           0.52120154       0.47089014       0.05762213 
           0.51103499       0.53673603       0.42866129 
           0.76737381       0.46134686       0.18619822 
           0.79036976       0.54250338       0.28165250 
           0.50383078       0.23934099       0.43374902 
           0.75383078       0.23934099       0.31876362 
           0.50383078       0.31225835       0.06436616 
           0.75383078       0.31225835       0.18814648 
           0.50383078       0.38876248       0.43797861 
           0.75383078       0.38876248       0.31453403 
           0.51044266       0.44824433       0.58853622 
           0.49946476       0.57000745       0.96341989 
           0.76758379       0.46679241       0.69056161 
           0.76154431       0.53774394       0.84379659 
           0.50383078       0.23934099       0.93374902 
           0.75383078       0.23934099       0.81876362 
           0.75383078       0.31225835       0.68814648 
           0.50383078       0.38876248       0.93797861 
           0.75383078       0.38876248       0.81453403 
           0.14004897       0.68545643       0.75269461 
           0.58653821       0.71745375       0.56981714 
           0.25476575       0.56135931       0.76591296 
           0.80145120       0.40521539       0.63120748 
           0.04028963       0.59495096       0.43052104 
           0.23675901       0.59249871       0.29570506 
           0.04930531       0.58751510       0.01707964 
           0.88145472       0.51816403       0.20669821 
           0.49771184       0.59854065       0.98813092 
           0.72203205       0.47715307       0.95535952 
           0.99847746       0.20321400       0.54676048 
           0.25367378       0.19724431       0.24249147 
           0.27447574       0.19225105       0.76500303 
           0.57241475       0.20347875       0.46208147 
           0.76497868       0.19274309       0.23544003 
           0.51421033       0.18975546       0.03892819 
           0.79472866       0.18751213       0.78649238 
           0.25762777       0.70801455       0.88559477 
           0.66317872       0.74266978       0.21830732 
           0.85387906       0.67437639       0.81995999 
           0.75614854       0.79318755       0.85039369 
           0.08314782       0.58570294       0.63139894 
           0.18713219       0.59820048       0.16279028 
           0.93323004       0.59848500       0.10573834 
           0.62870228       0.67032724       0.26208828 
           0.40926120       0.60620048       0.11386600 
           0.79521347       0.44970867       0.94007443 
           0.14087309       0.69533216       0.67782296 
           0.67134045       0.90198508       0.89786791 
           0.03130244       0.14188023       0.47189490 
           0.30200661       0.17920109       0.19195302 
           0.13145437       0.18482791       0.65763236 
           0.41882539       0.18678672       0.61347711 
           0.76378709       0.16523804       0.24391263 
           0.57603665       0.18404975       0.08417100 
           0.84786927       0.18059708       0.67563697 
           0.65516186       0.55790664       0.46478756 
   
  
  
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          45 
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          49 
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          51 
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          54 
          55 
          56 
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          58 
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          61 
          62 
          63 
          64 
          65 
          66 
          67 
          68 
          69 
          70 
          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
       605.39200000
         0.00001000
       38
       10
      225
       -1
       -1
       294.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -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      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      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  
   
   
        60
        -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
      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     16.00000000     35.45300000      1.00000000
         0.00000000      0.00000000      0.00000000      0.00000000
         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
       60
        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 
         4 
  
   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
    O    2
    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
    H    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      40Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      15O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       4Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
      16H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           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 
   
  
  
          0.01141946       0.46299358       0.07772290 
          0.01404904       0.56515320       0.48093289 
          0.27789538       0.46059990       0.17929081 
          0.21276375       0.56278538       0.27110222 
          0.00383078       0.23934099       0.43374902 
          0.25383078       0.23934099       0.31876362 
          0.00383078       0.31225835       0.06436616 
          0.25383078       0.31225835       0.18814648 
          0.00383078       0.38876248       0.43797861 
          0.25383078       0.38876248       0.31453403 
          0.01103600       0.46715737       0.57197574 
          0.01445134       0.55456208       0.97589094 
          0.25369560       0.46634267       0.69760230 
          0.24362805       0.56381833       0.79880431 
          0.25383078       0.23934099       0.81876362 
          0.00383078       0.31225835       0.56436616 
          0.25383078       0.31225835       0.68814648 
          0.00383078       0.38876248       0.93797861 
          0.25383078       0.38876248       0.81453403 
          0.52120154       0.47089014       0.05762213 
          0.51103499       0.53673603       0.42866129 
          0.76737381       0.46134686       0.18619822 
          0.79036976       0.54250338       0.28165250 
          0.50383078       0.23934099       0.43374902 
          0.75383078       0.23934099       0.31876362 
          0.50383078       0.31225835       0.06436616 
          0.75383078       0.31225835       0.18814648 
          0.50383078       0.38876248       0.43797861 
          0.75383078       0.38876248       0.31453403 
          0.51044266       0.44824433       0.58853622 
          0.49946476       0.57000745       0.96341989 
          0.76758379       0.46679241       0.69056161 
          0.76154431       0.53774394       0.84379659 
          0.50383078       0.23934099       0.93374902 
          0.75383078       0.23934099       0.81876362 
          0.75383078       0.31225835       0.68814648 
          0.50383078       0.38876248       0.93797861 
          0.75383078       0.38876248       0.81453403 
          0.14004897       0.68545643       0.75269461 
          0.58653821       0.71745375       0.56981714 
          0.25476575       0.56135931       0.76591296 
          0.80145120       0.40521539       0.63120748 
          0.04028963       0.59495096       0.43052104 
          0.23675901       0.59249871       0.29570506 
          0.04930531       0.58751510       0.01707964 
          0.88145472       0.51816403       0.20669821 
          0.49771184       0.59854065       0.98813092 
          0.72203205       0.47715307       0.95535952 
          0.99847746       0.20321400       0.54676048 
          0.25367378       0.19724431       0.24249147 
          0.27447574       0.19225105       0.76500303 
          0.57241475       0.20347875       0.46208147 
          0.76497868       0.19274309       0.23544003 
          0.51421033       0.18975546       0.03892819 
          0.79472866       0.18751213       0.78649238 
          0.25762777       0.70801455       0.88559477 
          0.66317872       0.74266978       0.21830732 
          0.85387906       0.67437639       0.81995999 
          0.75614854       0.79318755       0.85039369 
          0.08314782       0.58570294       0.63139894 
          0.18713219       0.59820048       0.16279028 
          0.93323004       0.59848500       0.10573834 
          0.62870228       0.67032724       0.26208828 
          0.40926120       0.60620048       0.11386600 
          0.79521347       0.44970867       0.94007443 
          0.14087309       0.69533216       0.67782296 
          0.67134045       0.90198508       0.89786791 
          0.03130244       0.14188023       0.47189490 
          0.30200661       0.17920109       0.19195302 
          0.13145437       0.18482791       0.65763236 
          0.41882539       0.18678672       0.61347711 
          0.76378709       0.16523804       0.24391263 
          0.57603665       0.18404975       0.08417100 
          0.84786927       0.18059708       0.67563697 
          0.65516186       0.55790664       0.46478756 
  
  
     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 
  
 
 
  
      29.60   29.61
      31.03   31.04
   
        117.93208328 
      24749.38784558 
     -34747.06606833 
        173.24559743 
      10046.92708312 
      -9370.43527668 
          0.00692230 
       -816.58852174 
      12445.10377463 
       2598.51343958 
       2598.50651728 
       2598.51113215 
   
  
  
      36.08   36.08
      36.08   36.09
   
        523.03921691 
        523.02437684 
        523.03427022 
   
  
  
      32.76   32.82
      32.76   32.82
   
        214.27244946 
        214.25720871 
        214.26736921 
   
  
  
      33.75   33.80
      33.76   33.80
   
        204.50815544 
        204.49416893 
        204.50349327 
   
  
  
      35.57   35.60
      35.84   35.87
   
        204.21865108 
        204.20459550 
        204.21396589 
   
  
  
      30.38   30.43
      32.00   32.04
   
        429.28786288 
        429.30581734 
        429.29384770 
   
  
  
      31.30   31.34
      32.95   32.99
   
        399.62921441 
        399.62782854 
        399.62875246 
   
  
  
      34.64   34.71
      36.69   36.75
   
       -905.71432731 
       -905.70699684 
       -905.71188382 
   
  
  
      32.27   32.32
      34.97   35.03
   
        431.12620462 
        431.08813980 
        431.11351635 
   
  
  
      35.33   35.39
      38.15   38.21
   
        323.68102237 
        323.67948742 
        323.68051072 
   
  
  
      34.73   34.76
      36.84   36.86
   
        385.80064474 
        385.79354663 
        385.79827870 
   
  
  
      32.58   32.60
      34.13   34.16
   
        381.22314966 
        381.20234674 
        381.21621535 
   
  
  
      33.44   33.51
      35.02   35.08
   
        384.06318840 
        384.07988532 
        384.06875404 
   
  
  
      32.24   32.29
      33.95   34.00
   
        383.41757257 
        383.42876529 
        383.42130348 
   
  
  
      33.13   33.18
      34.81   34.88
   
        381.98904764 
        381.99207650 
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