vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 12 
  20:59:45 
 
 
  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 
    
   
   
           0.91913745       0.34331944       0.82593131 
           0.85255637       0.20504399       0.09532154 
           0.21409801       0.66573715       0.34578273 
           0.69024708       0.85556224       0.63024134 
           0.00170257       0.23810294       0.43305106 
           0.25170257       0.23810294       0.31806566 
           0.00170257       0.31102030       0.06366820 
           0.25170257       0.31102030       0.18744852 
           0.00170257       0.38752443       0.43728065 
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           0.29891527       0.22948405       0.88700270 
           0.45717503       0.49433939       0.62122086 
           0.65429124       0.79545311       0.36244365 
           0.83058678       0.29015432       0.62981423 
           0.25170257       0.23810294       0.81806566 
           0.00170257       0.31102030       0.56366820 
           0.25170257       0.31102030       0.68744852 
           0.00170257       0.38752443       0.93728065 
           0.25170257       0.38752443       0.81383607 
           0.42556717       0.24904943       0.57126392 
           0.08832203       0.29238260       0.69084671 
           0.74400102       0.71654141       0.27434430 
           0.22644885       0.52921599       0.86519243 
           0.50170257       0.23810294       0.43305106 
           0.75170257       0.23810294       0.31806566 
           0.50170257       0.31102030       0.06366820 
           0.75170257       0.31102030       0.18744852 
           0.50170257       0.38752443       0.43728065 
           0.75170257       0.38752443       0.31383607 
           0.90233862       0.87343499       0.21568818 
           0.99509130       0.29413374       0.23035485 
           0.08492605       0.21048315       0.35152486 
           0.00079809       0.11715654       0.52562960 
           0.50170257       0.23810294       0.93305106 
           0.75170257       0.23810294       0.81806566 
           0.75170257       0.31102030       0.68744852 
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           0.73338558       0.68538550       0.39095844 
           0.77779312       0.09356403       0.88027518 
           0.21761598       0.20519668       0.77001069 
           0.02243415       0.16350261       0.04452258 
           0.83245531       0.55668091       0.19211490 
           0.75318196       0.63572550       0.92586993 
           0.39918163       0.89710766       0.47152769 
           0.93632356       0.48507236       0.79950412 
           0.02610306       0.83761033       0.23330859 
           0.93241346       0.25150363       0.32537034 
           0.01067618       0.17218653       0.55451767 
           0.62029193       0.04141681       0.54484740 
           0.89178643       0.43787151       0.78311049 
           0.76472350       0.12091805       0.79009989 
           0.69294220       0.04627138       0.05506922 
           0.21812241       0.90207996       0.72533157 
           0.14394181       0.35552415       0.80023338 
           0.19332201       0.18235105       0.63628274 
           0.94998226       0.14047932       0.55416167 
           0.40888438       0.58097653       0.13321595 
           0.22142962       0.55358622       0.34638031 
           0.75584198       0.30545371       0.38283052 
           0.04384695       0.48695843       0.06720303 
           0.67200548       0.81094015       0.84539954 
           0.54706253       0.54548498       0.36032817 
           0.85374957       0.18917132       0.37164056 
           0.22432905       0.26134291       0.65122139 
           0.25506580       0.26183294       0.87701156 
           0.16761763       0.17769038       0.84150849 
           0.07742864       0.39151647       0.24188378 
           0.95950723       0.15183013       0.60133861 
           0.87904896       0.28428978       0.45572449 
           0.27516957       0.35909446       0.81679790 
           0.16306068       0.32447920       0.52046689 
           0.14195140       0.37583477       0.11227580 
           0.82273068       0.05901436       0.46738947 
   
  
  
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          68 
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          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 
   
  
  
          0.91913745       0.34331944       0.82593131 
          0.85255637       0.20504399       0.09532154 
          0.21409801       0.66573715       0.34578273 
          0.69024708       0.85556224       0.63024134 
          0.00170257       0.23810294       0.43305106 
          0.25170257       0.23810294       0.31806566 
          0.00170257       0.31102030       0.06366820 
          0.25170257       0.31102030       0.18744852 
          0.00170257       0.38752443       0.43728065 
          0.25170257       0.38752443       0.31383607 
          0.29891527       0.22948405       0.88700270 
          0.45717503       0.49433939       0.62122086 
          0.65429124       0.79545311       0.36244365 
          0.83058678       0.29015432       0.62981423 
          0.25170257       0.23810294       0.81806566 
          0.00170257       0.31102030       0.56366820 
          0.25170257       0.31102030       0.68744852 
          0.00170257       0.38752443       0.93728065 
          0.25170257       0.38752443       0.81383607 
          0.42556717       0.24904943       0.57126392 
          0.08832203       0.29238260       0.69084671 
          0.74400102       0.71654141       0.27434430 
          0.22644885       0.52921599       0.86519243 
          0.50170257       0.23810294       0.43305106 
          0.75170257       0.23810294       0.31806566 
          0.50170257       0.31102030       0.06366820 
          0.75170257       0.31102030       0.18744852 
          0.50170257       0.38752443       0.43728065 
          0.75170257       0.38752443       0.31383607 
          0.90233862       0.87343499       0.21568818 
          0.99509130       0.29413374       0.23035485 
          0.08492605       0.21048315       0.35152486 
          0.00079809       0.11715654       0.52562960 
          0.50170257       0.23810294       0.93305106 
          0.75170257       0.23810294       0.81806566 
          0.75170257       0.31102030       0.68744852 
          0.50170257       0.38752443       0.93728065 
          0.75170257       0.38752443       0.81383607 
          0.81547034       0.80478892       0.04707239 
          0.73338558       0.68538550       0.39095844 
          0.77779312       0.09356403       0.88027518 
          0.21761598       0.20519668       0.77001069 
          0.02243415       0.16350261       0.04452258 
          0.83245531       0.55668091       0.19211490 
          0.75318196       0.63572550       0.92586993 
          0.39918163       0.89710766       0.47152769 
          0.93632356       0.48507236       0.79950412 
          0.02610306       0.83761033       0.23330859 
          0.93241346       0.25150363       0.32537034 
          0.01067618       0.17218653       0.55451767 
          0.62029193       0.04141681       0.54484740 
          0.89178643       0.43787151       0.78311049 
          0.76472350       0.12091805       0.79009989 
          0.69294220       0.04627138       0.05506922 
          0.21812241       0.90207996       0.72533157 
          0.14394181       0.35552415       0.80023338 
          0.19332201       0.18235105       0.63628274 
          0.94998226       0.14047932       0.55416167 
          0.40888438       0.58097653       0.13321595 
          0.22142962       0.55358622       0.34638031 
          0.75584198       0.30545371       0.38283052 
          0.04384695       0.48695843       0.06720303 
          0.67200548       0.81094015       0.84539954 
          0.54706253       0.54548498       0.36032817 
          0.85374957       0.18917132       0.37164056 
          0.22432905       0.26134291       0.65122139 
          0.25506580       0.26183294       0.87701156 
          0.16761763       0.17769038       0.84150849 
          0.07742864       0.39151647       0.24188378 
          0.95950723       0.15183013       0.60133861 
          0.87904896       0.28428978       0.45572449 
          0.27516957       0.35909446       0.81679790 
          0.16306068       0.32447920       0.52046689 
          0.14195140       0.37583477       0.11227580 
          0.82273068       0.05901436       0.46738947 
  
  
     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 
  
 
 
  
      29.79   29.80
      31.19   31.21
   
        117.93208328 
      19840.65175223 
     -29898.85886181 
        191.16959405 
      10046.92708312 
      -9370.43527668 
         -0.01577891 
       -814.77903065 
      12445.10377463 
       2557.69533926 
       2557.71111817 
       2557.70059889 
   
  
  
      36.49   36.49
      36.49   36.50
   
        608.64838876 
        608.65367269 
        608.65015007 
   
  
  
      36.18   36.24
      36.18   36.25
   
        288.35008977 
        288.36249354 
        288.35422436 
   
  
  
      36.97   37.02
      36.97   37.02
   
        272.24991963 
        272.27901247 
        272.25961725 
   
  
  
      39.14   39.19
      39.45   39.51
   
        271.71395776 
        271.74314624 
        271.72368725 
   
  
  
      33.59   33.65
      35.11   35.17
   
        321.49235452 
        321.52216618 
        321.50229174 
   
  
  
      38.37   38.44
      40.31   40.37
   
       -294.42093917 
       -294.40105090 
       -294.41430974 
   
  
  
      38.78   38.83
      40.31   40.35
   
         93.66006683 
         93.64447324 
         93.65486896 
   
  
  
      36.52   36.56
      38.95   38.99
   
        292.83541107 
        292.87233194 
        292.84771802 
   
  
  
      33.88   33.93
      35.82   35.87
   
        353.67574100 
        353.71182894 
        353.68777032 
   
  
  
      32.79   32.84
      34.30   34.34
   
        412.11088973 
        412.13761600 
        412.11979848 
   
  
  
      33.72   33.77
      35.52   35.57
   
        447.98012703 
        447.98116289 
        447.98047232 
   
  
  
      32.22   32.28
      34.18   34.24
   
        446.32084979 
        446.39430123 
        446.34533360 
   
  
  
      33.42   33.48
      35.53   35.58
   
        433.37775043 
        433.38539166 
        433.38029751 
   
  
  
      32.74   32.78
      34.35   34.40
   
        427.58042075 
        427.57663649 
        427.57915933 
   
  
  
      32.20   32.26
      34.68   34.74
   
        427.32069955 
        427.28774576 
        427.30971496 
   
  
  
      32.06   32.11
      34.14   34.19
   
        425.32429133 
        425.28596411 
        425.31151559 
   
  
  
      31.59   31.63
      33.00   33.04
   
        419.85379241 
        419.93188635 
        419.87982372 
   
  
  
      32.47   32.51
      33.99   34.04
   
        413.57789054 
        413.52079423 
        413.55885844 
   
  
  
      34.02   34.06
      35.66   35.69
   
        413.51579094 
        413.51298933 
        413.51485707 
   
  
  
      31.05   31.15
      32.59   32.69
   
        411.88046226 
        411.90361946 
        411.88818133 
   
  
  
      32.03   32.06
      33.64   33.67
   
        409.66340935 
        409.73978770 
        409.68886880 
   
  
  
      33.32   33.39
      35.05   35.12
   
        407.99216652 
        407.97646153 
        407.98693152 
   
  
  
      32.03   32.10
      33.57   33.64
   
        408.39951214 
        408.36114484 
        408.38672304 
   
  
  
      33.29   33.37
      34.75   34.83
   
        408.52823021 
        408.49055341 
        408.51567128 
   
  
  
      32.42   32.48
      34.00   34.06
   
        408.75698602 
        408.71662698 
        408.74353300 
   
  
  
      31.48   31.54
      33.26   33.32
   
        407.24419961 
        407.20063641 
        407.22967854 
   
  
  
      31.51   31.58
      33.22   33.28
   
        402.48096930 
        402.62150080 
        402.52781313 
   
  
  
      32.39   32.46
      34.76   34.83
   
        400.68385904 
        400.82297296 
        400.73023035 
   
  
  
      32.76   32.81
      34.79   34.84
   
        400.68472172 
        400.81613946 
        400.72852763 
   
  
  
      32.30   32.38
      34.57   34.65
   
        400.39347644 
        400.52736478 
        400.43810589 
   
  
  
      30.70   30.76
      32.28   32.35
   
        399.34307154 
        399.38603522 
        399.35739276 
   
  
  
      29.45   29.49
      31.17   31.22
   
        399.61968997 
        399.65878260 
        399.63272084 
   
  
  
      28.50   28.55
      30.23   30.29
   
        399.56479771 
        399.60392363 
        399.57783968 
   
  
  
      26.54   26.57
      28.16   28.20
   
        399.77284173 
        399.80887284 
        399.78485210 
   
  
  
      29.02   29.08
      30.59   30.65
   
        399.80212502 
        399.83700557 
        399.81375187 
   
  
  
      27.68   27.72
      29.16   29.20
   
        399.31966121 
        399.37320432 
        399.33750892 
   
  
  
      27.92   27.97
      29.51   29.56
   
        397.48292592 
        397.60271622 
        397.52285602 
   
  
  
      27.05   27.09
      28.67   28.72
   
        395.94498155 
        395.97654446 
        395.95550252 
   
  
  
      26.98   27.05
      28.92   28.98
   
        395.76797269 
        395.82346965 
        395.78647168 
   
  
  
      29.30   29.35
      30.89   30.94
   
        395.73660857 
        395.78820382 
        395.75380699 
   
  
  
      29.17   29.20
      30.73   30.76
   
        395.75050502 
        395.79835971 
        395.76645658