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 
    
   
   
           0.10581909       0.00288353       0.61385826 
           0.26433729       0.00866819       0.31188554 
           0.09721664       0.00958938       0.43869668 
           0.26492597       0.00552095       0.48165125 
           0.10808584       0.00906462       0.26381961 
           0.27902979       0.00653689       0.65443829 
           0.09685124       0.17069173       0.56997649 
           0.26360410       0.17481991       0.35453607 
           0.09416330       0.17637822       0.39546563 
           0.26248637       0.17370244       0.52478685 
           0.15945994       0.17614440       0.22536448 
           0.32772945       0.17386217       0.69358620 
           0.09578011       0.33752878       0.61415711 
           0.26229621       0.34246764       0.31287446 
           0.09365852       0.34326570       0.43850375 
           0.26161909       0.34026668       0.48116876 
           0.10652405       0.34245289       0.26443504 
           0.26958520       0.33997723       0.65561197 
           0.09809865       0.50579275       0.57037332 
           0.26323412       0.50964348       0.35500970 
           0.09313355       0.51136636       0.39573157 
           0.26097267       0.50737992       0.52418928 
           0.15843249       0.50824286       0.22534351 
           0.29834552       0.50640124       0.69562116 
           0.09686573       0.66971982       0.61563473 
           0.26585773       0.67501840       0.31212394 
           0.09427483       0.67791013       0.43883701 
           0.26303316       0.67462225       0.48088192 
           0.11086420       0.67641001       0.26398126 
           0.27265608       0.67436780       0.65624030 
           0.10169533       0.83634168       0.57042298 
           0.26566722       0.84182271       0.35394839 
           0.09696909       0.84422673       0.39540728 
           0.26528644       0.83813255       0.52514512 
           0.16054620       0.84269895       0.22477685 
           0.33016732       0.84110519       0.69424426 
           0.43477148       0.00814747       0.60675335 
           0.59593747       0.00543409       0.30325914 
           0.43351431       0.00410165       0.43790811 
           0.60057976       0.00735700       0.48019523 
           0.42061164       0.00817096       0.26386714 
           0.58806747       0.00905595       0.65563311 
           0.43252889       0.17788406       0.56596755 
           0.59471060       0.16744550       0.35011342 
           0.43214719       0.17258706       0.39597286 
           0.59846720       0.17504628       0.52251007 
           0.36772358       0.17574934       0.22565762 
           0.53533045       0.17682110       0.69362696 
           0.43042095       0.34675310       0.60893090 
           0.58836947       0.33647319       0.30808846 
           0.43168577       0.34030815       0.43890215 
           0.60092152       0.34292087       0.48023736 
           0.41863270       0.34164694       0.26505300 
           0.59340305       0.34204150       0.65411246 
           0.43120550       0.50906069       0.56469397 
           0.59310035       0.50548219       0.35080736 
           0.43162413       0.50853205       0.39671327 
           0.60032763       0.51059326       0.52301505 
           0.36589750       0.50703421       0.22522455 
           0.65128266       0.50625013       0.69357347 
           0.43434324       0.66946221       0.60992403 
           0.59788278       0.66058014       0.30072595 
           0.43376450       0.67650512       0.43902682 
           0.60310629       0.67865772       0.48099338 
           0.41966424       0.67399358       0.26329299 
           0.59763419       0.67497832       0.65536881 
           0.43532110       0.83780250       0.56659644 
           0.60179828       0.83432004       0.34597904 
           0.43725017       0.83837723       0.39332052 
           0.60521006       0.84479960       0.52543659 
           0.36860798       0.84198801       0.22484053 
           0.53872180       0.84033368       0.69426382 
           0.76599484       0.02281379       0.61809459 
           0.93410489       0.01310510       0.30390171 
           0.76614745       0.00671156       0.43597449 
           0.93103398       0.00693763       0.48146478 
           0.76635493       0.01564250       0.26037507 
           0.95172594       0.97520496       0.66153432 
           0.76113940       0.17452250       0.56698952 
           0.93284943       0.17701775       0.34889467 
           0.76523165       0.17399231       0.39230802 
           0.93030598       0.17266137       0.52537167 
           0.74817580       0.19101883       0.22433057 
           0.87421461       0.14870549       0.67726311 
           0.75647333       0.34173194       0.60816614 
           0.93452735       0.34605119       0.30579832 
           0.76589804       0.34137797       0.43617298 
           0.92873083       0.34168972       0.48255025 
           0.75973873       0.35430284       0.26688762 
           0.91894140       0.33531375       0.65309162 
           0.76070613       0.51635595       0.56893615 
           0.93226139       0.51281246       0.34905529 
           0.76474285       0.50893256       0.39251079 
           0.92957199       0.50877780       0.52661599 
           0.70863785       0.53843562       0.24196705 
           0.86186029       0.49822467       0.69422984 
           0.76539655       0.68477807       0.61274366 
           0.94009390       0.68081437       0.30540264 
           0.76718520       0.67590356       0.43639546 
           0.92954568       0.67630150       0.48302027 
           0.78650407       0.71105090       0.25786112 
           0.92614454       0.66822467       0.65839212 
           0.76961627       0.85283563       0.57138572 
           0.93673913       0.84714171       0.34877877 
           0.76744089       0.84059143       0.39117774 
           0.93363658       0.84392449       0.52683648 
           0.79160023       0.86404606       0.21105225 
           0.95744989       0.81964372       0.70746687 
           0.42509737       0.54342109       0.84573180 
           0.26031537       0.54379019       0.80721467 
           0.28210279       0.17097879       0.73838856 
           0.11345746       0.17742681       0.18052823 
           0.15842391       0.55579915       0.85144634 
           0.11120191       0.50770290       0.18068113 
           0.28482199       0.84520885       0.73904919 
           0.11412066       0.84126702       0.18005168 
           0.57998579       0.17772439       0.73863367 
           0.41402823       0.17814734       0.18086426 
           0.60936909       0.50538724       0.73886521 
           0.41176248       0.50405225       0.18036702 
           0.58390070       0.84327375       0.73916665 
           0.41531117       0.84196780       0.18012464 
           0.78202562       0.14666865       0.71098993 
           0.64695114       0.19189393       0.19417321 
           0.90358316       0.49309230       0.73959536 
           0.61681302       0.53612150       0.20816647 
           0.84288343       0.83342283       0.73066961 
           0.67522535       0.85108505       0.18910927 
           0.51400170       0.68895565       0.83307262 
           0.39293146       0.54153729       0.90791723 
           0.51899909       0.40055045       0.83245870 
           0.17374925       0.39386441       0.82188582 
           0.09975289       0.62476937       0.89651695 
           0.17217851       0.68188307       0.83076352 
   
  
  
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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
         1.00000000
  
  
         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 
   
  
  
          0.10581909       0.00288353       0.61385826 
          0.26433729       0.00866819       0.31188554 
          0.09721664       0.00958938       0.43869668 
          0.26492597       0.00552095       0.48165125 
          0.10808584       0.00906462       0.26381961 
          0.27902979       0.00653689       0.65443829 
          0.09685124       0.17069173       0.56997649 
          0.26360410       0.17481991       0.35453607 
          0.09416330       0.17637822       0.39546563 
          0.26248637       0.17370244       0.52478685 
          0.15945994       0.17614440       0.22536448 
          0.32772945       0.17386217       0.69358620 
          0.09578011       0.33752878       0.61415711 
          0.26229621       0.34246764       0.31287446 
          0.09365852       0.34326570       0.43850375 
          0.26161909       0.34026668       0.48116876 
          0.10652405       0.34245289       0.26443504 
          0.26958520       0.33997723       0.65561197 
          0.09809865       0.50579275       0.57037332 
          0.26323412       0.50964348       0.35500970 
          0.09313355       0.51136636       0.39573157 
          0.26097267       0.50737992       0.52418928 
          0.15843249       0.50824286       0.22534351 
          0.29834552       0.50640124       0.69562116 
          0.09686573       0.66971982       0.61563473 
          0.26585773       0.67501840       0.31212394 
          0.09427483       0.67791013       0.43883701 
          0.26303316       0.67462225       0.48088192 
          0.11086420       0.67641001       0.26398126 
          0.27265608       0.67436780       0.65624030 
          0.10169533       0.83634168       0.57042298 
          0.26566722       0.84182271       0.35394839 
          0.09696909       0.84422673       0.39540728 
          0.26528644       0.83813255       0.52514512 
          0.16054620       0.84269895       0.22477685 
          0.33016732       0.84110519       0.69424426 
          0.43477148       0.00814747       0.60675335 
          0.59593747       0.00543409       0.30325914 
          0.43351431       0.00410165       0.43790811 
          0.60057976       0.00735700       0.48019523 
          0.42061164       0.00817096       0.26386714 
          0.58806747       0.00905595       0.65563311 
          0.43252889       0.17788406       0.56596755 
          0.59471060       0.16744550       0.35011342 
          0.43214719       0.17258706       0.39597286 
          0.59846720       0.17504628       0.52251007 
          0.36772358       0.17574934       0.22565762 
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