vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 11 
  22:38:51 
 
 
  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 
    
   
   
           0.02058202       0.46398930       0.07532803 
           0.01322328       0.54197546       0.43753745 
           0.27296349       0.46449137       0.19357213 
           0.26286174       0.54222183       0.31170531 
           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 
           0.01340761       0.46529664       0.55993031 
           0.01652907       0.54365303       0.95514354 
           0.25616008       0.46910174       0.69463978 
           0.24533828       0.55017113       0.81565030 
           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 
           0.51336984       0.46989816       0.05453123 
           0.51142350       0.54323653       0.43562627 
           0.75579393       0.46486270       0.19280920 
           0.76441636       0.54053742       0.31553845 
           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 
           0.50456153       0.46681085       0.56331395 
           0.48974662       0.55567767       0.94187131 
           0.76149981       0.46605737       0.68166614 
           0.75508982       0.53199195       0.84288495 
           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 
           0.13259022       0.66793963       0.76396283 
           0.46226560       0.66349079       0.48236679 
           0.20567244       0.60829174       0.73467633 
           0.51083480       0.60466549       0.51160454 
           0.99220262       0.59514622       0.53005308 
           0.27796207       0.59598474       0.21811220 
           0.02167598       0.59582522       0.05252867 
           0.77063876       0.59296219       0.21642955 
           0.49934198       0.61107481       0.02303114 
           0.71055754       0.47667757       0.93404624 
           0.00427708       0.18469363       0.53329859 
           0.25611622       0.18191055       0.23974470 
           0.24515895       0.18415914       0.73104010 
           0.52188791       0.19860570       0.55300054 
           0.74184592       0.18629122       0.21937967 
           0.49130479       0.18612292       0.02952470 
           0.80695323       0.18056574       0.76399154 
           0.26574831       0.70517992       0.90104177 
           0.59970574       0.69313093       0.32940876 
           0.87510814       0.66506510       0.81406121 
           0.54384339       0.71024919       0.62463336 
           0.08248221       0.59835158       0.59382814 
           0.17747483       0.59996775       0.15908498 
           0.91591381       0.59869659       0.10757950 
           0.71701760       0.62541271       0.24452569 
           0.43204099       0.61036253       0.10133857 
           0.81483645       0.45329004       0.94929695 
           0.14577573       0.69800991       0.64677364 
           0.11217453       0.70265081       0.36817971 
           0.02102717       0.15094278       0.49253913 
           0.32608761       0.18139794       0.16220778 
           0.15055521       0.18323552       0.66942187 
           0.42432051       0.19219764       0.61111689 
           0.77092389       0.15159191       0.25281982 
           0.59201458       0.18275798       0.08664203 
           0.85407191       0.17934778       0.67972101 
           0.05957715       0.73312887       0.35032753 
   
  
  
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          49 
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          54 
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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 
   
  
  
          0.02058202       0.46398930       0.07532803 
          0.01322328       0.54197546       0.43753745 
          0.27296349       0.46449137       0.19357213 
          0.26286174       0.54222183       0.31170531 
          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 
          0.01340761       0.46529664       0.55993031 
          0.01652907       0.54365303       0.95514354 
          0.25616008       0.46910174       0.69463978 
          0.24533828       0.55017113       0.81565030 
          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 
          0.51336984       0.46989816       0.05453123 
          0.51142350       0.54323653       0.43562627 
          0.75579393       0.46486270       0.19280920 
          0.76441636       0.54053742       0.31553845 
          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 
          0.50456153       0.46681085       0.56331395 
          0.48974662       0.55567767       0.94187131 
          0.76149981       0.46605737       0.68166614 
          0.75508982       0.53199195       0.84288495 
          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 
          0.13259022       0.66793963       0.76396283 
          0.46226560       0.66349079       0.48236679 
          0.20567244       0.60829174       0.73467633 
          0.51083480       0.60466549       0.51160454 
          0.99220262       0.59514622       0.53005308 
          0.27796207       0.59598474       0.21811220 
          0.02167598       0.59582522       0.05252867 
          0.77063876       0.59296219       0.21642955 
          0.49934198       0.61107481       0.02303114 
          0.71055754       0.47667757       0.93404624 
          0.00427708       0.18469363       0.53329859 
          0.25611622       0.18191055       0.23974470 
          0.24515895       0.18415914       0.73104010 
          0.52188791       0.19860570       0.55300054 
          0.74184592       0.18629122       0.21937967 
          0.49130479       0.18612292       0.02952470 
          0.80695323       0.18056574       0.76399154 
          0.26574831       0.70517992       0.90104177 
          0.59970574       0.69313093       0.32940876 
          0.87510814       0.66506510       0.81406121 
          0.54384339       0.71024919       0.62463336 
          0.08248221       0.59835158       0.59382814 
          0.17747483       0.59996775       0.15908498 
          0.91591381       0.59869659       0.10757950 
          0.71701760       0.62541271       0.24452569 
          0.43204099       0.61036253       0.10133857 
          0.81483645       0.45329004       0.94929695 
          0.14577573       0.69800991       0.64677364 
          0.11217453       0.70265081       0.36817971 
          0.02102717       0.15094278       0.49253913 
          0.32608761       0.18139794       0.16220778 
          0.15055521       0.18323552       0.66942187 
          0.42432051       0.19219764       0.61111689 
          0.77092389       0.15159191       0.25281982 
          0.59201458       0.18275798       0.08664203 
          0.85407191       0.17934778       0.67972101 
          0.05957715       0.73312887       0.35032753 
  
  
     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 
  
 
 
  
      28.57   28.59
      31.97   31.99
   
        117.93208328 
      23376.74080946 
     -34619.23959305 
        175.32334132 
      10046.92708312 
      -9370.43527668 
          0.01041518 
       -540.10539940 
      12445.10377463 
       1632.25723785 
       1632.24682268 
       1632.25376613 
   
  
  
      34.97   34.98
      34.97   34.98
   
       -121.72406905 
       -121.69908193 
       -121.71574001 
   
  
  
      32.30   32.33
      32.30   32.34
   
       -369.53701910 
       -369.55887525 
       -369.54430448 
   
  
  
      33.64   33.71
      33.65   33.71
   
       -378.51154625 
       -378.53157906 
       -378.51822385 
   
  
  
      34.65   34.70
      34.96   35.00
   
       -378.77515584 
       -378.79507608 
       -378.78179592 
   
  
  
      30.94   31.00
      32.33   32.39
   
       -247.67866417 
       -247.69203190 
       -247.68312008 
   
  
  
      32.33   32.36
      33.79   33.83
   
       -264.87442787 
       -264.88763471 
       -264.87883015 
   
  
  
      32.22   32.26
      33.76   33.80
   
       -265.19134065 
       -265.18578869 
       -265.18948999 
   
  
  
      31.72   31.74
      33.40   33.42
   
       -278.91620797 
       -278.93274394 
       -278.92171996 
   
  
  
      33.39   33.44
      35.09   35.14
   
       -295.33983725 
       -295.34852519 
       -295.34273323 
   
  
  
      32.42   32.47
      33.93   33.97
   
       -318.43662892 
       -318.43890527 
       -318.43738771 
   
  
  
      31.52   31.57
      33.11   33.16
   
       -355.21910698 
       -355.21919256 
       -355.21913550 
   
  
  
      31.63   31.70
      33.23   33.31
   
       -377.80926670 
       -377.80124325 
       -377.80659221 
   
  
  
      32.67   32.72
      34.54   34.59
   
       -384.83146381 
       -384.86119583 
       -384.84137449 
   
  
  
      32.93   32.98
      34.70   34.75
   
       -387.91375499 
       -387.89261727 
       -387.90670909 
   
  
  
      32.42   32.47
      34.08   34.13
   
       -390.85652484 
       -390.83475942 
       -390.84926970 
   
  
  
      34.67   34.72
      36.30   36.35
   
       -391.11570131 
       -391.10262767 
       -391.11134343 
   
  
  
      32.80   32.85
      34.36   34.41
   
       -391.01734950 
       -391.00056709 
       -391.01175536 
   
  
  
      31.64   31.70
      33.30   33.35
   
       -390.11465506 
       -390.11058216 
       -390.11329743 
   
  
  
      31.95   31.99
      33.48   33.52
   
       -388.60637029 
       -388.61819815 
       -388.61031291 
   
  
  
      32.19   32.27
      34.16   34.23
   
       -384.01482946 
       -383.99579115 
       -384.00848336 
   
  
  
      34.12   34.17
      36.37   36.42
   
       -381.77350168 
       -381.75161085 
       -381.76620474 
   
  
  
      37.36   37.39
      38.99   39.03
   
       -381.37454277 
       -381.35715549 
       -381.36874701 
   
  
  
      30.60   30.65
      32.41   32.47
   
       -382.29413893 
       -382.27048207 
       -382.28625331 
   
  
  
      31.97   32.05
      33.62   33.69
   
       -383.92660697 
       -383.91424968 
       -383.92248787 
   
  
  
      32.62   32.65
      34.21   34.24
   
       -384.84452057 
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       -384.84649730 
   
  
  
      31.35   31.39
      33.04   33.09
   
       -387.33099558 
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       -387.33316351 
   
  
  
      34.04   34.10
      35.51   35.57
   
       -387.78221038 
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      31.24   31.28
      32.82   32.86
   
       -388.52530494 
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      34.42   34.47
      35.97   36.02
   
       -388.52588915 
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      34.34   34.40
      35.92   35.98
   
       -388.50152257 
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       -388.49860455 
   
  
  
      30.94   30.98
      32.66   32.70
   
       -388.34876425 
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       -388.34620933 
   
  
  
      31.08   31.14
      32.64   32.73
   
       -388.00888335 
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      31.77   31.82
      33.40   33.46
   
       -387.84729373 
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      31.76   31.82
      33.41   33.47
   
       -388.52448964 
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      32.69   32.76
      34.37   34.44
   
       -388.71936220 
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       -388.71776756 
   
  
  
      31.35   31.41
      32.93   32.99
   
       -388.23084394 
       -388.22643248 
       -388.22937346 
   
  
  
      33.39   33.44
      35.00   35.06
   
       -388.54065317 
       -388.54084515 
       -388.54071717 
   
  
  
      32.99   33.05
      34.72   34.78
   
       -388.95357387 
       -388.95604302 
       -388.95439692 
   
  
  
      32.05   32.10
      33.78   33.84
   
       -389.40381630 
       -389.40791678 
       -389.40518312