vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 14 
  23:16:39 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.99000000      0.32000000      0.72000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.76984868       0.00000000       0.00000000 
            0.13032753      24.44030431       0.00000000 
            0.04503821      -0.11094984      10.84033246 
    
       2058.55166672 
    
            0.12870264      -0.00068630      -0.00054174 
            0.00000000       0.04091602       0.00041877 
            0.00000000       0.00000000       0.09224809 
    
   
   
           0.01490283       0.46696033       0.07922665 
           0.99674361       0.54803147       0.44403501 
           0.26724036       0.46665172       0.19816743 
           0.24757854       0.54899904       0.31358656 
           0.00012928       0.23754712       0.43231377 
           0.25012928       0.23754712       0.31732837 
           0.00012928       0.31046448       0.06293091 
           0.25012928       0.31046448       0.18671123 
           0.00012928       0.38696861       0.43654336 
           0.25012928       0.38696861       0.31309878 
           0.00404570       0.46693688       0.56087424 
           0.00639070       0.55061083       0.95520831 
           0.24921732       0.47108279       0.69603316 
           0.24410623       0.55638184       0.82097483 
           0.25012928       0.23754712       0.81732837 
           0.00012928       0.31046448       0.56293091 
           0.25012928       0.31046448       0.68671123 
           0.00012928       0.38696861       0.93654336 
           0.25012928       0.38696861       0.81309878 
           0.51142239       0.46809514       0.06048674 
           0.49676655       0.55698872       0.44477713 
           0.75012159       0.46705512       0.19982984 
           0.74899953       0.54913678       0.31444121 
           0.50012928       0.23754712       0.43231377 
           0.75012928       0.23754712       0.31732837 
           0.50012928       0.31046448       0.06293091 
           0.75012928       0.31046448       0.18671123 
           0.50012928       0.38696861       0.43654336 
           0.75012928       0.38696861       0.31309878 
           0.49451946       0.47037755       0.55923837 
           0.48085188       0.55441150       0.95598560 
           0.74875422       0.46816036       0.68122433 
           0.74333006       0.53490328       0.84754160 
           0.50012928       0.23754712       0.93231377 
           0.75012928       0.23754712       0.81732837 
           0.75012928       0.31046448       0.68671123 
           0.50012928       0.38696861       0.93654336 
           0.75012928       0.38696861       0.81309878 
           0.23836246       0.68661164       0.72836053 
           0.49654596       0.69241333       0.52005719 
           0.23926824       0.61447215       0.75385319 
           0.51945545       0.61416323       0.51832863 
           0.99182637       0.59628677       0.55004537 
           0.24874490       0.60078501       0.21469838 
           0.00659630       0.60442078       0.05149115 
           0.75729460       0.60015998       0.21298091 
           0.49988023       0.60570985       0.05734004 
           0.71792486       0.47731521       0.93991752 
           0.31920819       0.67422575       0.59047401 
           0.00261478       0.18052515       0.52815748 
           0.25673904       0.17762812       0.24031888 
           0.24110580       0.17948804       0.73199803 
           0.51670672       0.19535181       0.54891567 
           0.73640042       0.18172206       0.22118726 
           0.48763143       0.18199026       0.02581139 
           0.80652367       0.17635291       0.76498312 
           0.41533418       0.71013678       0.85926459 
           0.41931880       0.70972281       0.34338207 
           0.99100460       0.69907512       0.78495786 
           0.77437209       0.68731563       0.49356733 
           0.91861880       0.62940374       0.53369500 
           0.14828961       0.60560590       0.15622679 
           0.90438897       0.60743993       0.10959986 
           0.65369705       0.60684120       0.15856122 
           0.39954421       0.61034213       0.11700808 
           0.82268852       0.45338201       0.94567612 
           0.02110843       0.14536053       0.48659917 
           0.32340636       0.17597108       0.16221352 
           0.14754868       0.17805430       0.67041860 
           0.42132991       0.18784446       0.60716334 
           0.76130539       0.14568108       0.25427788 
           0.58748032       0.17746446       0.08113442 
           0.85312881       0.17395148       0.68052326 
           0.53628680       0.74970247       0.59359472 
           0.19195738       0.76132681       0.64413778 
   
  
  
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          62 
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          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
       613.61400000
         0.00001000
       38
       10
      195
       -1
       -1
       311.00000000
        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
   
   
         1
     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  
   
   
       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
      120
       54
       80
      240
      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      0.72000000
      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     18.99800000
         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
        16.46841333
         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
    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
    F    5
    F    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      40Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      16O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       4Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
      13H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       2F      18.99800000      7.00000000  PAW_PBE F 08Apr2002                   
   
  
 
 
  
   
           7.76984868       0.00000000       0.00000000 
           0.13032753      24.44030431       0.00000000 
           0.04503821      -0.11094984      10.84033246 
   
      2058.55166672 
   
           0.12870264      -0.00068630      -0.00054174 
           0.00000000       0.04091602       0.00041877 
           0.00000000       0.00000000       0.09224809 
   
  
  
          0.01490283       0.46696033       0.07922665 
          0.99674361       0.54803147       0.44403501 
          0.26724036       0.46665172       0.19816743 
          0.24757854       0.54899904       0.31358656 
          0.00012928       0.23754712       0.43231377 
          0.25012928       0.23754712       0.31732837 
          0.00012928       0.31046448       0.06293091 
          0.25012928       0.31046448       0.18671123 
          0.00012928       0.38696861       0.43654336 
          0.25012928       0.38696861       0.31309878 
          0.00404570       0.46693688       0.56087424 
          0.00639070       0.55061083       0.95520831 
          0.24921732       0.47108279       0.69603316 
          0.24410623       0.55638184       0.82097483 
          0.25012928       0.23754712       0.81732837 
          0.00012928       0.31046448       0.56293091 
          0.25012928       0.31046448       0.68671123 
          0.00012928       0.38696861       0.93654336 
          0.25012928       0.38696861       0.81309878 
          0.51142239       0.46809514       0.06048674 
          0.49676655       0.55698872       0.44477713 
          0.75012159       0.46705512       0.19982984 
          0.74899953       0.54913678       0.31444121 
          0.50012928       0.23754712       0.43231377 
          0.75012928       0.23754712       0.31732837 
          0.50012928       0.31046448       0.06293091 
          0.75012928       0.31046448       0.18671123 
          0.50012928       0.38696861       0.43654336 
          0.75012928       0.38696861       0.31309878 
          0.49451946       0.47037755       0.55923837 
          0.48085188       0.55441150       0.95598560 
          0.74875422       0.46816036       0.68122433 
          0.74333006       0.53490328       0.84754160 
          0.50012928       0.23754712       0.93231377 
          0.75012928       0.23754712       0.81732837 
          0.75012928       0.31046448       0.68671123 
          0.50012928       0.38696861       0.93654336 
          0.75012928       0.38696861       0.81309878 
          0.23836246       0.68661164       0.72836053 
          0.49654596       0.69241333       0.52005719 
          0.23926824       0.61447215       0.75385319 
          0.51945545       0.61416323       0.51832863 
          0.99182637       0.59628677       0.55004537 
          0.24874490       0.60078501       0.21469838 
          0.00659630       0.60442078       0.05149115 
          0.75729460       0.60015998       0.21298091 
          0.49988023       0.60570985       0.05734004 
          0.71792486       0.47731521       0.93991752 
          0.31920819       0.67422575       0.59047401 
          0.00261478       0.18052515       0.52815748 
          0.25673904       0.17762812       0.24031888 
          0.24110580       0.17948804       0.73199803 
          0.51670672       0.19535181       0.54891567 
          0.73640042       0.18172206       0.22118726 
          0.48763143       0.18199026       0.02581139 
          0.80652367       0.17635291       0.76498312 
          0.41533418       0.71013678       0.85926459 
          0.41931880       0.70972281       0.34338207 
          0.99100460       0.69907512       0.78495786 
          0.77437209       0.68731563       0.49356733 
          0.91861880       0.62940374       0.53369500 
          0.14828961       0.60560590       0.15622679 
          0.90438897       0.60743993       0.10959986 
          0.65369705       0.60684120       0.15856122 
          0.39954421       0.61034213       0.11700808 
          0.82268852       0.45338201       0.94567612 
          0.02110843       0.14536053       0.48659917 
          0.32340636       0.17597108       0.16221352 
          0.14754868       0.17805430       0.67041860 
          0.42132991       0.18784446       0.60716334 
          0.76130539       0.14568108       0.25427788 
          0.58748032       0.17746446       0.08113442 
          0.85312881       0.17395148       0.68052326 
          0.53628680       0.74970247       0.59359472 
          0.19195738       0.76132681       0.64413778 
  
  
     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 
  
 
 
  
      11.70   11.71
      12.34   12.36
   
        137.43675454 
      18579.35161995 
     -31458.84580580 
        258.17355063 
      11477.00382189 
     -10812.82478760 
         -0.03401011 
       -398.59087092 
      14158.83048887 
       1940.50076145 
       1940.53477156 
       1940.51209815 
   
  
  
      15.92   15.93
      15.92   15.93
   
       -109.79401802 
       -109.79655184 
       -109.79486263 
   
  
  
      14.36   14.37
      14.36   14.37
   
       -419.30393826 
       -419.31633251 
       -419.30806967 
   
  
  
      15.03   15.03
      15.03   15.04
   
       -431.90789947 
       -431.92017247 
       -431.91199047 
   
  
  
      15.95   15.95
      16.07   16.08
   
       -432.38304054 
       -432.39529500 
       -432.38712536 
   
  
  
      15.49   15.50
      16.14   16.16
   
       -400.76963126 
       -400.80404364 
       -400.78110205 
   
  
  
      14.50   14.51
      15.12   15.13
   
       -401.83984107 
       -401.84863006 
       -401.84277073 
   
  
  
      15.18   15.19
      15.90   15.91
   
       -400.91028257 
       -400.91710610 
       -400.91255708 
   
  
  
      16.44   16.45
      17.28   17.29
   
       -400.99726235 
       -400.96979472 
       -400.98810647 
   
  
  
      15.30   15.31
      16.00   16.00
   
       -400.55311682 
       -400.55838754 
       -400.55487372 
   
  
  
      16.29   16.32
      16.94   16.97
   
       -400.01938440 
       -399.98192874 
       -400.00689918 
   
  
  
      14.12   14.14
      14.73   14.75
   
       -399.93869869 
       -399.89418858 
       -399.92386199 
   
  
  
      14.18   14.20
      14.80   14.82
   
       -399.90051268 
       -399.86303558 
       -399.88802031 
   
  
  
      15.46   15.48
      16.08   16.10
   
       -399.91272688 
       -399.86369427 
       -399.89638268 
   
  
  
      15.81   15.82
      16.53   16.54
   
       -399.86884898 
       -399.83960077 
       -399.85909958 
   
  
  
      14.30   14.31
      14.89   14.90
   
       -399.88035896 
       -399.81960593 
       -399.86010795 
   
  
  
      15.55   15.56
      16.13   16.15
   
       -399.88036845 
       -399.86296111 
       -399.87456601 
   
  
  
      14.85   14.89
      15.53   15.58
   
       -399.87797382 
       -399.85280389 
       -399.86958384 
   
  
  
      16.27   16.30
      16.92   16.95
   
       -399.86947594 
       -399.82732948 
       -399.85542712 
   
  
  
      14.16   14.19
      14.91   14.94
   
       -399.87621634 
       -399.83428934 
       -399.86224067 
   
  
  
      14.07   14.09
      14.80   14.84
   
       -399.87733978 
       -399.82905569 
       -399.86124508 
   
  
  
      14.24   14.26
      14.89   14.91
   
       -399.88098353 
       -399.83880825 
       -399.86692511 
   
  
  
      15.11   15.12
      15.79   15.81
   
       -399.88220245 
       -399.83394076 
       -399.86611522 
   
  
  
      15.97   15.98
      16.66   16.68
   
       -399.88456039 
       -399.83374443 
       -399.86762174