vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 12 
  20:59:46 
 
 
  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 
    
   
   
           0.17035839       0.05966708       0.53863561 
           0.19813159       0.65278251       0.60741588 
           0.26270794       0.41239272       0.32390881 
           0.79669849       0.43035698       0.77707427 
           0.00127693       0.23785534       0.43291147 
           0.25127693       0.23785534       0.31792607 
           0.00127693       0.31077270       0.06352861 
           0.25127693       0.31077270       0.18730893 
           0.00127693       0.38727683       0.43714106 
           0.25127693       0.38727683       0.31369648 
           0.74564786       0.98464152       0.76310729 
           0.81068252       0.03213177       0.36625624 
           0.77699355       0.53030179       0.69415877 
           0.80622677       0.01146303       0.31036421 
           0.25127693       0.23785534       0.81792607 
           0.00127693       0.31077270       0.56352861 
           0.25127693       0.31077270       0.68730893 
           0.00127693       0.38727683       0.93714106 
           0.25127693       0.38727683       0.81369648 
           0.51534360       0.93323344       0.39114517 
           0.12560157       0.21844071       0.87647913 
           0.00730005       0.38673017       0.99888898 
           0.53508188       0.04107837       0.14147502 
           0.50127693       0.23785534       0.43291147 
           0.75127693       0.23785534       0.31792607 
           0.50127693       0.31077270       0.06352861 
           0.75127693       0.31077270       0.18730893 
           0.50127693       0.38727683       0.43714106 
           0.75127693       0.38727683       0.31369648 
           0.47156129       0.48201078       0.89600542 
           0.78709726       0.71252237       0.96969259 
           0.94299782       0.90704872       0.54614711 
           0.35002063       0.69668393       0.63270406 
           0.50127693       0.23785534       0.93291147 
           0.75127693       0.23785534       0.81792607 
           0.75127693       0.31077270       0.68730893 
           0.50127693       0.38727683       0.93714106 
           0.75127693       0.38727683       0.81369648 
           0.10038105       0.25696454       0.96506883 
           0.64607883       0.13722147       0.01150474 
           0.34432197       0.17169672       0.83750000 
           0.60026795       0.42632812       0.46216158 
           0.90201227       0.76146270       0.51155444 
           0.09556157       0.25629657       0.27392409 
           0.04451081       0.48752453       0.85143884 
           0.26619768       0.09161307       0.83357325 
           0.87592145       0.05848267       0.11043010 
           0.24810740       0.48035697       0.94509104 
           0.25282130       0.00133852       0.89686250 
           0.20336159       0.64989670       0.72592962 
           0.00393519       0.82420407       0.67049954 
           0.97774722       0.84395759       0.80991222 
           0.32653024       0.72679676       0.94679773 
           0.96201194       0.91601733       0.57577809 
           0.86148821       0.73257904       0.80835545 
           0.91578652       0.98840227       0.13739725 
           0.77858636       0.03069453       0.42524549 
           0.41588471       0.70974924       0.54462406 
           0.45522429       0.49203867       0.39346851 
           0.03240224       0.29522758       0.60801008 
           0.74213351       0.06185389       0.43619004 
           0.53784366       0.20356489       0.67374733 
           0.53608464       0.10841652       0.74879784 
           0.06549668       0.04386523       0.16440074 
           0.60108449       0.82827985       0.12207311 
           0.92651186       0.11057230       0.35205592 
           0.26006274       0.06090282       0.15417064 
           0.52166713       0.64775294       0.63076067 
           0.71721485       0.15008518       0.64814615 
           0.79617657       0.74635820       0.19975511 
           0.11567982       0.28318981       0.88723587 
           0.02360381       0.83129813       0.92930185 
           0.50374470       0.89773014       0.85515378 
           0.08612127       0.03561661       0.32500696 
           0.71331512       0.92363544       0.05802407 
   
  
  
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          68 
          69 
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          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 
   
  
  
          0.17035839       0.05966708       0.53863561 
          0.19813159       0.65278251       0.60741588 
          0.26270794       0.41239272       0.32390881 
          0.79669849       0.43035698       0.77707427 
          0.00127693       0.23785534       0.43291147 
          0.25127693       0.23785534       0.31792607 
          0.00127693       0.31077270       0.06352861 
          0.25127693       0.31077270       0.18730893 
          0.00127693       0.38727683       0.43714106 
          0.25127693       0.38727683       0.31369648 
          0.74564786       0.98464152       0.76310729 
          0.81068252       0.03213177       0.36625624 
          0.77699355       0.53030179       0.69415877 
          0.80622677       0.01146303       0.31036421 
          0.25127693       0.23785534       0.81792607 
          0.00127693       0.31077270       0.56352861 
          0.25127693       0.31077270       0.68730893 
          0.00127693       0.38727683       0.93714106 
          0.25127693       0.38727683       0.81369648 
          0.51534360       0.93323344       0.39114517 
          0.12560157       0.21844071       0.87647913 
          0.00730005       0.38673017       0.99888898 
          0.53508188       0.04107837       0.14147502 
          0.50127693       0.23785534       0.43291147 
          0.75127693       0.23785534       0.31792607 
          0.50127693       0.31077270       0.06352861 
          0.75127693       0.31077270       0.18730893 
          0.50127693       0.38727683       0.43714106 
          0.75127693       0.38727683       0.31369648 
          0.47156129       0.48201078       0.89600542 
          0.78709726       0.71252237       0.96969259 
          0.94299782       0.90704872       0.54614711 
          0.35002063       0.69668393       0.63270406 
          0.50127693       0.23785534       0.93291147 
          0.75127693       0.23785534       0.81792607 
          0.75127693       0.31077270       0.68730893 
          0.50127693       0.38727683       0.93714106 
          0.75127693       0.38727683       0.81369648 
          0.10038105       0.25696454       0.96506883 
          0.64607883       0.13722147       0.01150474 
          0.34432197       0.17169672       0.83750000 
          0.60026795       0.42632812       0.46216158 
          0.90201227       0.76146270       0.51155444 
          0.09556157       0.25629657       0.27392409 
          0.04451081       0.48752453       0.85143884 
          0.26619768       0.09161307       0.83357325 
          0.87592145       0.05848267       0.11043010 
          0.24810740       0.48035697       0.94509104 
          0.25282130       0.00133852       0.89686250 
          0.20336159       0.64989670       0.72592962 
          0.00393519       0.82420407       0.67049954 
          0.97774722       0.84395759       0.80991222 
          0.32653024       0.72679676       0.94679773 
          0.96201194       0.91601733       0.57577809 
          0.86148821       0.73257904       0.80835545 
          0.91578652       0.98840227       0.13739725 
          0.77858636       0.03069453       0.42524549 
          0.41588471       0.70974924       0.54462406 
          0.45522429       0.49203867       0.39346851 
          0.03240224       0.29522758       0.60801008 
          0.74213351       0.06185389       0.43619004 
          0.53784366       0.20356489       0.67374733 
          0.53608464       0.10841652       0.74879784 
          0.06549668       0.04386523       0.16440074 
          0.60108449       0.82827985       0.12207311 
          0.92651186       0.11057230       0.35205592 
          0.26006274       0.06090282       0.15417064 
          0.52166713       0.64775294       0.63076067 
          0.71721485       0.15008518       0.64814615 
          0.79617657       0.74635820       0.19975511 
          0.11567982       0.28318981       0.88723587 
          0.02360381       0.83129813       0.92930185 
          0.50374470       0.89773014       0.85515378 
          0.08612127       0.03561661       0.32500696 
          0.71331512       0.92363544       0.05802407 
  
  
     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 
  
 
 
  
      28.78   28.79
      29.99   30.01
   
        117.93208328 
       2588.43437707 
     -12381.07863025 
        151.47362504 
      10046.92708312 
      -9370.43527668 
         -0.01734304 
       -613.82002605 
      12445.10377463 
       2984.51966712 
       2984.53701016 
       2984.52544813 
   
  
  
      36.13   36.14
      36.14   36.15
   
       1132.57958922 
       1132.56684673 
       1132.57534172 
   
  
  
      36.71   36.75
      36.71   36.75
   
        796.33773463 
        796.28805320 
        796.32117415 
   
  
  
      37.33   37.38
      37.33   37.38
   
        778.77277498 
        778.70826987 
        778.75127328 
   
  
  
      38.46   38.50
      38.77   38.81
   
        778.08593790 
        778.01952853 
        778.06380144 
   
  
  
      33.80   33.86
      35.26   35.32
   
        921.75233389 
        921.78619751 
        921.76362176 
   
  
  
      46.00   46.03
      47.76   47.79
   
      -1006.00025563 
      -1005.99101495 
      -1005.99717540 
   
  
  
      45.11   45.18
      46.58   46.65
   
        580.89745592 
        580.88618656 
        580.89369946 
   
  
  
      41.18   41.24
      42.50   42.56
   
        938.30036746 
        938.27425360 
        938.29166284 
   
  
  
      37.22   37.28
      38.59   38.64
   
        950.16887701 
        950.15579785 
        950.16451729 
   
  
  
      35.63   35.66
      37.12   37.15
   
        958.26094177 
        958.25501824 
        958.25896726 
   
  
  
      35.63   35.66
      36.98   37.02
   
        961.71404352 
        961.77248036 
        961.73352246 
   
  
  
      34.09   34.12
      35.44   35.47
   
        975.61684735 
        975.58683640 
        975.60684370 
   
  
  
      34.44   34.49
      35.83   35.89
   
        949.14707887 
        949.10334163 
        949.13249979 
   
  
  
      33.08   33.12
      34.61   34.65
   
        942.16331170 
        942.12184073 
        942.14948804 
   
  
  
      35.05   35.13
      36.53   36.62
   
        918.66598580 
        918.66855110 
        918.66684090 
   
  
  
      34.91   34.95
      36.34   36.38
   
        882.73820640 
        882.72716295 
        882.73452525 
   
  
  
      34.41   34.46
      36.03   36.07
   
        893.10118178 
        893.11578885 
        893.10605080 
   
  
  
      32.21   32.25
      33.79   33.83
   
        912.90641854 
        912.90776179 
        912.90686629 
   
  
  
      33.10   33.15
      34.78   34.82
   
        926.41786534 
        926.42995134 
        926.42189401 
   
  
  
      33.78   33.81
      35.26   35.30
   
        961.79532478 
        961.80095683 
        961.79720213 
   
  
  
      33.98   34.03
      35.78   35.82
   
        949.47476227 
        949.45394662 
        949.46782372 
   
  
  
      32.30   32.35
      33.87   33.92
   
        953.27730836 
        953.25768406 
        953.27076693 
   
  
  
      33.82   33.86
      35.24   35.28
   
        957.81254450 
        957.78570082 
        957.80359660 
   
  
  
      31.86   31.91
      33.45   33.50
   
        958.72484303 
        958.74573137 
        958.73180581 
   
  
  
      32.14   32.17
      33.74   33.77
   
        958.19395797 
        958.18478842 
        958.19090145 
   
  
  
      34.37   34.46
      35.89   35.98
   
        958.04963979 
        958.00851235 
        958.03593064 
   
  
  
      32.64   32.70
      34.16   34.22
   
        955.58539739 
        955.55389702 
        955.57489727 
   
  
  
      33.17   33.20
      34.77   34.81
   
        952.00033512 
        951.94547293 
        951.98204772 
   
  
  
      32.62   32.69
      34.35   34.42
   
        948.46506390 
        948.43983046 
        948.45665275 
   
  
  
      32.49   32.58
      34.17   34.25
   
        949.16943591 
        949.17610127 
        949.17165770 
   
  
  
      32.23   32.28
      33.66   33.72
   
        948.30795656 
        948.29746035 
        948.30445783 
   
  
  
      29.52   29.57
      31.02   31.07
   
        949.41531453 
        949.40070270 
        949.41044392 
   
  
  
      28.33   28.36
      29.75   29.80
   
        945.96917133 
        945.92184702 
        945.95339656 
   
  
  
      28.45   28.51
      29.94   30.00
   
        943.86840245 
        943.85179274 
        943.86286588 
   
  
  
      28.65   28.69
      30.14   30.19
   
        940.57861919 
        940.52480406 
        940.56068081 
   
  
  
      27.37   27.42
      28.83   28.88
   
        939.52981140 
        939.51168869 
        939.52377050 
   
  
  
      29.14   29.20
      30.72   30.78
   
        939.34161420 
        939.30269991 
        939.32864277 
   
  
  
      28.67   28.70
      30.23   30.26
   
        937.19161303 
        937.15409182 
        937.17910596 
   
  
  
      28.83   28.89
      30.48   30.54
   
        934.42891719 
        934.48685428 
        934.44822956 
   
  
  
      26.15   26.21
      28.06   28.12
   
        934.94853679 
        935.01026103 
        934.96911154