vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 18 
  20:51:58 
 
 
  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
        0.00800000      0.00100000      0.00500000      0.00100000     -0.00100000     -0.00100000      0.05400000     -0.00900000      0.00100000      0.01000000      0.00100000      0.00500000      0.00000000      0.00100000     -0.00400000      0.00000000      0.01400000      0.00200000      0.00100000      0.00000000
      0.00900000      0.00400000      0.00100000     -0.03000000     -0.00400000      0.00200000     -0.01100000      0.04200000      0.01000000      0.00600000      0.00000000      0.00000000      0.00100000     -0.00200000     -0.01100000      0.02000000     -0.00100000      0.00200000      0.00000000      0.00100000
      0.00100000      0.00100000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00200000      0.00000000      0.00500000     -0.00100000      0.01000000      0.00000000     -0.00200000      0.00000000      0.00100000      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
  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 
    
   
   
           0.99811541       0.45878080       0.07398887 
           0.98595180       0.54035509       0.43591395 
           0.24895284       0.46024831       0.19485233 
           0.23728343       0.53986003       0.31119171 
           0.98219433       0.23357686       0.43064376 
           0.23219433       0.23357686       0.31565836 
           0.98219433       0.30649422       0.06126090 
           0.23219433       0.30649422       0.18504122 
           0.98219433       0.38299835       0.43487335 
           0.23219433       0.38299835       0.31142877 
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           0.23580900       0.46263415       0.68732063 
           0.22543030       0.54229720       0.81204056 
           0.23219433       0.23357686       0.81565836 
           0.98219433       0.30649422       0.56126090 
           0.23219433       0.30649422       0.68504122 
           0.98219433       0.38299835       0.93487335 
           0.23219433       0.38299835       0.81142877 
           0.48984273       0.46268141       0.05612984 
           0.49232472       0.53988908       0.43153859 
           0.73477818       0.45929112       0.19160763 
           0.74145582       0.53755626       0.30578271 
           0.48219433       0.23357686       0.43064376 
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           0.73219433       0.38299835       0.31142877 
           0.48413670       0.46144364       0.55662057 
           0.46812832       0.54679742       0.94322556 
           0.73918626       0.46010128       0.67633342 
           0.73182019       0.52481984       0.83943459 
           0.48219433       0.23357686       0.93064376 
           0.73219433       0.23357686       0.81565836 
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           0.48219433       0.38299835       0.93487335 
           0.73219433       0.38299835       0.81142877 
           0.20268358       0.65809954       0.81699493 
           0.50945654       0.65887513       0.50999186 
           0.18541355       0.60042310       0.73520651 
           0.50611527       0.59497828       0.51985893 
           0.95760700       0.59042574       0.53272150 
           0.24753863       0.59113365       0.21077190 
           0.00007329       0.59229181       0.03867233 
           0.74856372       0.58844784       0.20378243 
           0.48793943       0.59909619       0.03760371 
           0.69236935       0.46938802       0.93043775 
           0.96632268       0.17986035       0.52787353 
           0.22831689       0.17946224       0.21941298 
           0.16164191       0.17359992       0.79002252 
           0.75875432       0.17871547       0.22815578 
           0.49239943       0.18103256       0.02803932 
           0.80032628       0.17717915       0.75173331 
           0.28028382       0.68496359       0.43729675 
           0.02997040       0.70657188       0.71686077 
           0.70800364       0.68817865       0.40739605 
           0.53592374       0.68791022       0.68633148 
           0.04526197       0.59716993       0.59761557 
           0.14699926       0.59420192       0.15149239 
           0.89874094       0.59467596       0.09863656 
           0.64593871       0.59350146       0.14742262 
           0.39296924       0.60104059       0.10228557 
           0.79847722       0.44731096       0.94624500 
           0.23318270       0.80582581       0.47702792 
           0.31387156       0.79606498       0.33905275 
           0.97620280       0.14538241       0.48870508 
           0.11078769       0.16873878       0.19442739 
           0.03545337       0.16859596       0.77405961 
           0.67592048       0.17471088       0.15880171 
           0.39184490       0.17711832       0.08492597 
           0.83737837       0.17899591       0.66317763 
           0.25876888       0.85582207       0.38259073 
           0.31563795       0.82153160       0.41237201 
   
  
  
           1 
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           5 
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           7 
           8 
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          30 
          31 
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          35 
          36 
          37 
          38 
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          40 
          41 
          42 
          43 
          44 
          45 
          46 
          47 
          48 
          49 
          50 
          51 
          52 
          53 
          54 
          55 
          56 
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          58 
          59 
          60 
          61 
          62 
          63 
          64 
          65 
          66 
          67 
          68 
          69 
          70 
          71 
          72 
          73 
          74 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       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 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       627.11200000
         0.00001000
       38
       10
      186
       -1
       -1
       292.00000000
        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  
          0.00800000      0.00100000      0.00500000      0.00100000     -0.00100000     -0.00100000      0.05400000     -0.00900000      0.00100000      0.01000000      0.00100000      0.00500000      0.00000000      0.00100000     -0.00400000      0.00000000      0.01400000      0.00200000      0.00100000      0.00000000
      0.00900000      0.00400000      0.00100000     -0.03000000     -0.00400000      0.00200000     -0.01100000      0.04200000      0.01000000      0.00600000      0.00000000      0.00000000      0.00100000     -0.00200000     -0.01100000      0.02000000     -0.00100000      0.00200000      0.00000000      0.00100000
      0.00100000      0.00100000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00200000      0.00000000      0.00500000     -0.00100000      0.01000000      0.00000000     -0.00200000      0.00000000      0.00100000      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
         -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
  
  
        3
        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
        17.05350090
         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  
  
 
 
        74 
         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
    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                   
       4Cl     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 
   
  
  
          0.99811541       0.45878080       0.07398887 
          0.98595180       0.54035509       0.43591395 
          0.24895284       0.46024831       0.19485233 
          0.23728343       0.53986003       0.31119171 
          0.98219433       0.23357686       0.43064376 
          0.23219433       0.23357686       0.31565836 
          0.98219433       0.30649422       0.06126090 
          0.23219433       0.30649422       0.18504122 
          0.98219433       0.38299835       0.43487335 
          0.23219433       0.38299835       0.31142877 
          0.99020155       0.46104977       0.55328549 
          0.99460594       0.53729839       0.95011993 
          0.23580900       0.46263415       0.68732063 
          0.22543030       0.54229720       0.81204056 
          0.23219433       0.23357686       0.81565836 
          0.98219433       0.30649422       0.56126090 
          0.23219433       0.30649422       0.68504122 
          0.98219433       0.38299835       0.93487335 
          0.23219433       0.38299835       0.81142877 
          0.48984273       0.46268141       0.05612984 
          0.49232472       0.53988908       0.43153859 
          0.73477818       0.45929112       0.19160763 
          0.74145582       0.53755626       0.30578271 
          0.48219433       0.23357686       0.43064376 
          0.73219433       0.23357686       0.31565836 
          0.48219433       0.30649422       0.06126090 
          0.73219433       0.30649422       0.18504122 
          0.48219433       0.38299835       0.43487335 
          0.73219433       0.38299835       0.31142877 
          0.48413670       0.46144364       0.55662057 
          0.46812832       0.54679742       0.94322556 
          0.73918626       0.46010128       0.67633342 
          0.73182019       0.52481984       0.83943459 
          0.48219433       0.23357686       0.93064376 
          0.73219433       0.23357686       0.81565836 
          0.73219433       0.30649422       0.68504122 
          0.48219433       0.38299835       0.93487335 
          0.73219433       0.38299835       0.81142877 
          0.20268358       0.65809954       0.81699493 
          0.50945654       0.65887513       0.50999186 
          0.18541355       0.60042310       0.73520651 
          0.50611527       0.59497828       0.51985893 
          0.95760700       0.59042574       0.53272150 
          0.24753863       0.59113365       0.21077190 
          0.00007329       0.59229181       0.03867233 
          0.74856372       0.58844784       0.20378243 
          0.48793943       0.59909619       0.03760371 
          0.69236935       0.46938802       0.93043775 
          0.96632268       0.17986035       0.52787353 
          0.22831689       0.17946224       0.21941298 
          0.16164191       0.17359992       0.79002252 
          0.75875432       0.17871547       0.22815578 
          0.49239943       0.18103256       0.02803932 
          0.80032628       0.17717915       0.75173331 
          0.28028382       0.68496359       0.43729675 
          0.02997040       0.70657188       0.71686077 
          0.70800364       0.68817865       0.40739605 
          0.53592374       0.68791022       0.68633148 
          0.04526197       0.59716993       0.59761557 
          0.14699926       0.59420192       0.15149239 
          0.89874094       0.59467596       0.09863656 
          0.64593871       0.59350146       0.14742262 
          0.39296924       0.60104059       0.10228557 
          0.79847722       0.44731096       0.94624500 
          0.23318270       0.80582581       0.47702792 
          0.31387156       0.79606498       0.33905275 
          0.97620280       0.14538241       0.48870508 
          0.11078769       0.16873878       0.19442739 
          0.03545337       0.16859596       0.77405961 
          0.67592048       0.17471088       0.15880171 
          0.39184490       0.17711832       0.08492597 
          0.83737837       0.17899591       0.66317763 
          0.25876888       0.85582207       0.38259073 
          0.31563795       0.82153160       0.41237201 
  
  
     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 
     F  F  F 
     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
       5.98    6.00
       6.78    6.80
   
        116.56810430 
      21029.03467635 
     -32106.13173085 
        151.61660726 
       9914.68938548 
      -9237.91854507 
          0.00741387 
       -395.82854615 
      12264.83694835 
       1736.87431354 
       1736.86689966 
       1736.87184225 
   
  
  
       7.16    7.18
       7.16    7.18
   
       -121.23609507 
       -121.21641426 
       -121.22953480 
   
  
  
       6.46    6.48
       6.46    6.48
   
       -405.26609619 
       -405.23077512 
       -405.25432250 
   
  
  
       6.87    6.88
       6.87    6.89
   
       -418.36526035 
       -418.33001838 
       -418.35351303 
   
  
  
       6.85    6.87
       7.01    7.03
   
       -418.80593880 
       -418.77071533 
       -418.79419765 
   
  
  
       6.68    6.70
       7.64    7.66
   
       -391.76972169 
       -391.74534678 
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