vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 11 
  23:51:28 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.77000000      0.32000000      0.99000000
  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 
    
   
   
           0.00578619       0.45785254       0.07745073 
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           0.24102737       0.45851270       0.21242764 
           0.24232447       0.53827723       0.32685528 
           0.99142849       0.23067299       0.44497490 
           0.24142849       0.23067299       0.32998950 
           0.99142849       0.30359035       0.07559204 
           0.24142849       0.30359035       0.19937236 
           0.99142849       0.38009448       0.44920449 
           0.24142849       0.38009448       0.32575991 
           0.00009073       0.45641022       0.57133160 
           0.99587492       0.53798631       0.95552207 
           0.24545078       0.46014172       0.70392512 
           0.23716947       0.53979840       0.82692798 
           0.24142849       0.23067299       0.82998950 
           0.99142849       0.30359035       0.57559204 
           0.24142849       0.30359035       0.69937236 
           0.99142849       0.38009448       0.94920449 
           0.24142849       0.38009448       0.82575991 
           0.47848205       0.45690117       0.07934035 
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           0.47901895       0.53768817       0.95888050 
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           0.49142849       0.23067299       0.94497490 
           0.74142849       0.23067299       0.82998950 
           0.74142849       0.30359035       0.69937236 
           0.49142849       0.38009448       0.94920449 
           0.74142849       0.38009448       0.82575991 
           0.24329191       0.66165258       0.75707225 
           0.52633167       0.65803096       0.52048845 
           0.22307368       0.59702142       0.74474236 
           0.51128950       0.59557027       0.51982714 
           0.97671499       0.58537102       0.54867854 
           0.22007706       0.59284564       0.24391156 
           0.99899008       0.59429145       0.03213698 
           0.75168113       0.58582598       0.22345146 
           0.47517877       0.58831066       0.05889073 
           0.73174972       0.45665298       0.91740074 
           0.26481856       0.68866310       0.60144952 
           0.50266689       0.80696398       0.49683915 
           0.32794475       0.80052708       0.48713849 
           0.14247569       0.67944096       0.55421955 
           0.57760337       0.84252465       0.47930133 
           0.27489677       0.73178449       0.60471977 
           0.53572594       0.78224307       0.42433534 
           0.51293555       0.79760858       0.58941848 
           0.06214579       0.58771883       0.61626445 
           0.29564492       0.59690285       0.17063571 
           0.92924681       0.59593106       0.10824640 
           0.73334481       0.61983127       0.26525962 
           0.57877053       0.58937047       0.11413558 
           0.74968515       0.45745896       0.00890807 
           0.45246373       0.68154029       0.86349470 
           0.58136006       0.67996067       0.34632408 
           0.03330681       0.69475793       0.84171838 
           0.72524126       0.68042282       0.61869339 
   
  
  
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          54 
          55 
          56 
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          58 
          59 
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          61 
          62 
          63 
          64 
          65 
          66 
  
 
 
  
          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 
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          0.33333333       0.00000000       0.50000000 
  
  
          0.16666667 
          0.33333333 
          0.16666667 
          0.33333333 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      162
       -1
       -1
       256.00000000
        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
     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
           0.00000002
           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
      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      0.77000000      0.32000000      0.99000000
      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     12.01100000      1.00000000     35.45300000
         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
        19.12059192
         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  
  
 
 
        66 
         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
    C    3
    C    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
    Cl   5
    Cl   5
    Cl   5
    Cl   5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      40Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       8O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      12H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       4Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
   
  
 
 
  
   
           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 
   
  
  
          0.00578619       0.45785254       0.07745073 
          0.99664162       0.53396529       0.45305578 
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          0.24232447       0.53827723       0.32685528 
          0.99142849       0.23067299       0.44497490 
          0.24142849       0.23067299       0.32998950 
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          0.24142849       0.30359035       0.19937236 
          0.99142849       0.38009448       0.44920449 
          0.24142849       0.38009448       0.32575991 
          0.00009073       0.45641022       0.57133160 
          0.99587492       0.53798631       0.95552207 
          0.24545078       0.46014172       0.70392512 
          0.23716947       0.53979840       0.82692798 
          0.24142849       0.23067299       0.82998950 
          0.99142849       0.30359035       0.57559204 
          0.24142849       0.30359035       0.69937236 
          0.99142849       0.38009448       0.94920449 
          0.24142849       0.38009448       0.82575991 
          0.47848205       0.45690117       0.07934035 
          0.49772333       0.53775573       0.44470311 
          0.74347433       0.45651732       0.20218306 
          0.75026519       0.53283141       0.32410998 
          0.49142849       0.23067299       0.44497490 
          0.74142849       0.23067299       0.32998950 
          0.49142849       0.30359035       0.07559204 
          0.74142849       0.30359035       0.19937236 
          0.49142849       0.38009448       0.44920449 
          0.74142849       0.38009448       0.32575991 
          0.48611528       0.45932358       0.56569050 
          0.47901895       0.53768817       0.95888050 
          0.73995394       0.45486485       0.68109216 
          0.73774609       0.51808125       0.84655660 
          0.49142849       0.23067299       0.94497490 
          0.74142849       0.23067299       0.82998950 
          0.74142849       0.30359035       0.69937236 
          0.49142849       0.38009448       0.94920449 
          0.74142849       0.38009448       0.82575991 
          0.24329191       0.66165258       0.75707225 
          0.52633167       0.65803096       0.52048845 
          0.22307368       0.59702142       0.74474236 
          0.51128950       0.59557027       0.51982714 
          0.97671499       0.58537102       0.54867854 
          0.22007706       0.59284564       0.24391156 
          0.99899008       0.59429145       0.03213698 
          0.75168113       0.58582598       0.22345146 
          0.47517877       0.58831066       0.05889073 
          0.73174972       0.45665298       0.91740074 
          0.26481856       0.68866310       0.60144952 
          0.50266689       0.80696398       0.49683915 
          0.32794475       0.80052708       0.48713849 
          0.14247569       0.67944096       0.55421955 
          0.57760337       0.84252465       0.47930133 
          0.27489677       0.73178449       0.60471977 
          0.53572594       0.78224307       0.42433534 
          0.51293555       0.79760858       0.58941848 
          0.06214579       0.58771883       0.61626445 
          0.29564492       0.59690285       0.17063571 
          0.92924681       0.59593106       0.10824640 
          0.73334481       0.61983127       0.26525962 
          0.57877053       0.58937047       0.11413558 
          0.74968515       0.45745896       0.00890807 
          0.45246373       0.68154029       0.86349470 
          0.58136006       0.67996067       0.34632408 
          0.03330681       0.69475793       0.84171838 
          0.72524126       0.68042282       0.61869339 
  
  
     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 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      16.54   16.73
      16.96   17.15
   
         86.77061607 
      26142.45224461 
     -34822.44082976 
        -18.27576154 
       7841.10245098 
      -7153.46082637 
         -0.00221422 
       -314.54361936 
       9663.60131947 
       1425.20337987 
       1425.20559409 
       1425.20411795 
   
  
  
      19.86   19.86
      19.86   19.86
   
       -114.34909183 
       -114.32084507 
       -114.33967624 
   
  
  
      18.66   18.66
      18.66   18.66
   
       -349.41211028 
       -349.40358888 
       -349.40926981 
   
  
  
      19.36   19.36
      19.36   19.36
   
       -360.19241805 
       -360.18282969 
       -360.18922193 
   
  
  
      20.02   20.02
      20.16   20.16
   
       -360.63526521 
       -360.62623566 
       -360.63225536 
   
  
  
      19.88   19.87
      20.41   20.41
   
       -338.73311678 
       -338.72025657 
       -338.72883004 
   
  
  
      18.14   18.14
      18.70   18.70
   
       -338.82109001 
       -338.82493494 
       -338.82237165 
   
  
  
      18.07   18.07
      18.60   18.60
   
       -338.22451459 
       -338.19457361 
       -338.21453426 
   
  
  
      18.04   18.04
      18.59   18.59
   
       -337.94384101 
       -337.93063016 
       -337.93943739 
   
  
  
      17.65   17.64
      18.23   18.23
   
       -337.81197580 
       -337.76773896 
       -337.79723019 
   
  
  
      17.95   17.94
      18.57   18.57
   
       -337.82816567 
       -337.79914358 
       -337.81849164 
   
  
  
      17.67   17.67
      18.25   18.24
   
       -337.81676119 
       -337.77604526 
       -337.80318922 
   
  
  
      18.60   18.60
      19.16   19.16
   
       -337.81025620 
       -337.77035632 
       -337.79695624 
   
  
  
      18.00   18.00
      18.57   18.57
   
       -337.81147830 
       -337.77117925 
       -337.79804528 
   
  
  
      19.28   19.27
      19.83   19.83
   
       -337.81201462 
       -337.77177631 
       -337.79860185 
   
  
  
      19.37   19.36
      19.94   19.94
   
       -337.81244578 
       -337.77199825 
       -337.79896327 
   
  
  
      19.31   19.31
      19.93   19.93
   
       -337.81311318 
       -337.77280161 
       -337.79967599 
   
  
  
      18.04   18.04
      18.64   18.64
   
       -337.81376826 
       -337.77336274 
       -337.80029975 
   
  
  
      17.90   17.90
      18.48   18.48
   
       -337.81423667 
       -337.77388807 
       -337.80078713 
   
  
  
      17.07   17.07
      17.65   17.65
   
       -337.81479186 
       -337.77441499 
       -337.80133290 
   
  
  
      17.72   17.72
      18.29   18.28
   
       -337.81539110 
       -337.77500328 
       -337.80192850 
   
  
  
      16.14   16.14
      16.74   16.74
   
       -337.81555008 
       -337.77514993 
       -337.80208336 
   
  
  
      16.61   16.61
      17.17   17.17
   
       -337.81567413 
       -337.77528954 
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