vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2023 09 30 
  22:40:41 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     180
       2
      -1
        0.00010000
       -0.02000000
       0
       2
       1
      262.47200000
        1.11000000      0.32000000      0.99000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           11.60244000       0.00000000       0.00000000 
            0.00000000      11.60244000       0.00000000 
            0.00000000       0.00000000      31.40832000 
    
       4228.08168837 
    
            0.08618877       0.00000000       0.00000000 
            0.00000000       0.08618877       0.00000000 
            0.00000000       0.00000000       0.03183870 
    
   
   
           0.10282879       0.00064962       0.61267153 
           0.26139098       0.00653841       0.31066445 
           0.09422853       0.00745158       0.43744613 
           0.26193647       0.00338734       0.48040491 
           0.10507421       0.00693962       0.26262287 
           0.27588796       0.00440723       0.65338196 
           0.09382111       0.16840706       0.56873214 
           0.26065030       0.17271822       0.35331515 
           0.09116159       0.17426171       0.39422227 
           0.25951576       0.17149360       0.52356381 
           0.15649784       0.17403008       0.22418777 
           0.32440874       0.17208122       0.69240551 
           0.09259122       0.33529763       0.61285134 
           0.25931996       0.34037800       0.31165201 
           0.09070874       0.34109666       0.43729002 
           0.25868991       0.33808575       0.47994711 
           0.10346810       0.34032352       0.26324809 
           0.26664983       0.33776755       0.65411245 
           0.09505797       0.50361133       0.56910894 
           0.26031454       0.50749810       0.35382557 
           0.09013547       0.50920734       0.39451284 
           0.25798260       0.50522831       0.52294904 
           0.15549161       0.50608705       0.22415782 
           0.29557546       0.50422949       0.69386836 
           0.09378794       0.66754452       0.61434647 
           0.26293967       0.67284380       0.31091646 
           0.09127717       0.67578735       0.43761625 
           0.26005922       0.67250597       0.47965888 
           0.10787626       0.67422660       0.26279900 
           0.26981554       0.67234079       0.65478215 
           0.09870085       0.83421440       0.56916902 
           0.26271171       0.83968059       0.35273219 
           0.09394256       0.84206754       0.39415778 
           0.26234377       0.83604036       0.52391696 
           0.15759280       0.84054119       0.22361080 
           0.32703117       0.83869645       0.69306488 
           0.43170031       0.00603464       0.60565767 
           0.59319651       0.00332838       0.30199567 
           0.43053627       0.00199189       0.43667587 
           0.59769808       0.00521942       0.47892193 
           0.41774494       0.00606389       0.26267443 
           0.58496503       0.00697081       0.65457424 
           0.42962989       0.17556792       0.56471694 
           0.59171448       0.16536837       0.34883925 
           0.42923388       0.17047508       0.39473280 
           0.59557874       0.17277979       0.52128255 
           0.36475550       0.17362817       0.22447291 
           0.53207152       0.17487853       0.69251569 
           0.42756121       0.34452337       0.60756123 
           0.58559517       0.33441718       0.30680349 
           0.42876948       0.33815467       0.43768366 
           0.59802910       0.34072377       0.47901967 
           0.41571436       0.33952319       0.26385879 
           0.59021658       0.33992848       0.65291031 
           0.42829964       0.50694756       0.56340452 
           0.59017720       0.50329240       0.34955315 
           0.42878060       0.50640499       0.39549755 
           0.59743818       0.50845371       0.52176730 
           0.36294780       0.50489742       0.22403751 
           0.64799375       0.50408509       0.69243175 
           0.43153633       0.66742506       0.60858157 
           0.59507387       0.65854893       0.29954604 
           0.43079181       0.67438621       0.43781236 
           0.60016633       0.67657965       0.47978035 
           0.41682234       0.67183124       0.26210851 
           0.59454990       0.67283382       0.65417661 
           0.43242710       0.83585698       0.56536697 
           0.59876206       0.83229743       0.34475660 
           0.43429831       0.83626523       0.39210812 
           0.60230750       0.84279758       0.52421722 
           0.36566190       0.83984404       0.22367754 
           0.53559365       0.83808714       0.69312915 
           0.76290841       0.02062715       0.61697807 
           0.93097105       0.01096902       0.30262449 
           0.76319847       0.00460209       0.43468638 
           0.92800283       0.00479671       0.48020111 
           0.76335190       0.01424111       0.25905146 
           0.94901019       0.97272218       0.66045817 
           0.75817991       0.17232190       0.56581175 
           0.92992430       0.17489843       0.34762306 
           0.76226933       0.17188641       0.39102392 
           0.92729882       0.17043388       0.52414522 
           0.74784074       0.18890363       0.22217161 
           0.87121544       0.14618514       0.67607446 
           0.75340891       0.33956139       0.60699488 
           0.93131264       0.34392505       0.30452200 
           0.76295013       0.33919480       0.43492864 
           0.92573646       0.33950898       0.48132462 
           0.75670951       0.35132624       0.26546626 
           0.91587897       0.33293536       0.65189779 
           0.75771476       0.51417074       0.56773968 
           0.92926609       0.51060661       0.34782548 
           0.76175746       0.50679185       0.39128996 
           0.92653162       0.50663240       0.52537949 
           0.70601137       0.53566987       0.24072920 
           0.85882660       0.49592046       0.69303812 
           0.76240971       0.68256868       0.61157889 
           0.93703360       0.67860425       0.30417624 
           0.76419540       0.67380852       0.43515897 
           0.92651634       0.67418984       0.48179778 
           0.78322389       0.70855504       0.25670395 
           0.92320122       0.66596643       0.65720609 
           0.76667950       0.85065355       0.57021200 
           0.93373629       0.84501059       0.34750998 
           0.76446535       0.83845676       0.38992422 
           0.93063109       0.84185934       0.52561090 
           0.78844184       0.86185380       0.21005613 
           0.95450001       0.81705893       0.70645196 
           0.46536643       0.58479418       0.87245901 
           0.28611769       0.58200251       0.84635495 
           0.27832600       0.17022176       0.73718336 
           0.11050944       0.17533585       0.17935017 
           0.19472655       0.53349090       0.80545157 
           0.10825717       0.50562312       0.17949173 
           0.28143102       0.84201086       0.73786934 
           0.11119104       0.83906425       0.17887980 
           0.57656392       0.17615562       0.73755728 
           0.41098583       0.17604534       0.17966977 
           0.60587302       0.50316478       0.73773992 
           0.40875719       0.50198279       0.17916986 
           0.58062687       0.84074988       0.73806421 
           0.41233725       0.83977357       0.17895381 
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           0.64425518       0.18949284       0.19307430 
           0.90075857       0.49090084       0.73840696 
           0.61386198       0.53379616       0.20703800 
           0.83943660       0.83113670       0.72932224 
           0.67237810       0.84898162       0.18787834 
           0.54379087       0.72976107       0.85301507 
           0.46355195       0.58564420       0.93507105 
           0.54971364       0.44152929       0.85344711 
           0.21036855       0.42833613       0.86218158 
           0.14558313       0.59166960       0.87477310 
           0.22856368       0.76805038       0.87736989 
   
  
  
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         134 
  
 
 
  
          2        2        1 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.50000000       0.50000000       0.00000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       262.47200000
       400.00000000
         0.00010000
       38
       10
      318
       -1
       -1
       500.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -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      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  
   
   
       180
        -5
         2
        262.47200000
    
      T  
      F  
           0.00000000
           0.00000008
           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
   
  
  
       48
       48
      126
       96
       96
      252
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
        -3.00000000
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         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      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      1.00000000     35.45300000
         0.00000000      0.00000000      0.00000000
         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
        18.93170905
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
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    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
      180
        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  
  
 
 
       134 
         3 
  
   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
    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
    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
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    Cl   3
    Cl   3
    Cl   3
    Cl   3
    Cl   3
    Cl   3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
     110Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      18H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       6Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
   
  
 
 
  
   
          11.60244000       0.00000000       0.00000000 
           0.00000000      11.60244000       0.00000000 
           0.00000000       0.00000000      31.40832000 
   
      4228.08168837 
   
           0.08618877       0.00000000       0.00000000 
           0.00000000       0.08618877       0.00000000 
           0.00000000       0.00000000       0.03183870 
   
  
  
          0.10282879       0.00064962       0.61267153 
          0.26139098       0.00653841       0.31066445 
          0.09422853       0.00745158       0.43744613 
          0.26193647       0.00338734       0.48040491 
          0.10507421       0.00693962       0.26262287 
          0.27588796       0.00440723       0.65338196 
          0.09382111       0.16840706       0.56873214 
          0.26065030       0.17271822       0.35331515 
          0.09116159       0.17426171       0.39422227 
          0.25951576       0.17149360       0.52356381 
          0.15649784       0.17403008       0.22418777 
          0.32440874       0.17208122       0.69240551 
          0.09259122       0.33529763       0.61285134 
          0.25931996       0.34037800       0.31165201 
          0.09070874       0.34109666       0.43729002 
          0.25868991       0.33808575       0.47994711 
          0.10346810       0.34032352       0.26324809 
          0.26664983       0.33776755       0.65411245 
          0.09505797       0.50361133       0.56910894 
          0.26031454       0.50749810       0.35382557 
          0.09013547       0.50920734       0.39451284 
          0.25798260       0.50522831       0.52294904 
          0.15549161       0.50608705       0.22415782 
          0.29557546       0.50422949       0.69386836 
          0.09378794       0.66754452       0.61434647 
          0.26293967       0.67284380       0.31091646 
          0.09127717       0.67578735       0.43761625 
          0.26005922       0.67250597       0.47965888 
          0.10787626       0.67422660       0.26279900 
          0.26981554       0.67234079       0.65478215 
          0.09870085       0.83421440       0.56916902 
          0.26271171       0.83968059       0.35273219 
          0.09394256       0.84206754       0.39415778 
          0.26234377       0.83604036       0.52391696 
          0.15759280       0.84054119       0.22361080 
          0.32703117       0.83869645       0.69306488 
          0.43170031       0.00603464       0.60565767 
          0.59319651       0.00332838       0.30199567 
          0.43053627       0.00199189       0.43667587 
          0.59769808       0.00521942       0.47892193 
          0.41774494       0.00606389       0.26267443 
          0.58496503       0.00697081       0.65457424 
          0.42962989       0.17556792       0.56471694 
          0.59171448       0.16536837       0.34883925 
          0.42923388       0.17047508       0.39473280 
          0.59557874       0.17277979       0.52128255 
          0.36475550       0.17362817       0.22447291 
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          0.22856368       0.76805038       0.87736989 
  
 
 
  
   
   
   
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