vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 12 
  12:41:53 
 
 
  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 
    
   
   
           0.02140332       0.46427135       0.07552158 
           0.01322254       0.54242375       0.43818475 
           0.27422371       0.46476409       0.19389428 
           0.26358132       0.54264552       0.31142630 
           0.00340514       0.23909338       0.43360943 
           0.25340514       0.23909338       0.31862403 
           0.00340514       0.31201074       0.06422657 
           0.25340514       0.31201074       0.18800689 
           0.00340514       0.38851487       0.43783902 
           0.25340514       0.38851487       0.31439444 
           0.01386996       0.46546219       0.55991216 
           0.01648280       0.54393673       0.95561438 
           0.25708499       0.46924525       0.69438701 
           0.24572309       0.55026649       0.81534862 
           0.25340514       0.23909338       0.81862403 
           0.00340514       0.31201074       0.56422657 
           0.25340514       0.31201074       0.68800689 
           0.00340514       0.38851487       0.93783902 
           0.25340514       0.38851487       0.81439444 
           0.51438649       0.47015199       0.05424504 
           0.51067800       0.54487337       0.43599318 
           0.75621267       0.46515686       0.19309605 
           0.76387108       0.54102839       0.31553037 
           0.50340514       0.23909338       0.43360943 
           0.75340514       0.23909338       0.31862403 
           0.50340514       0.31201074       0.06422657 
           0.75340514       0.31201074       0.18800689 
           0.50340514       0.38851487       0.43783902 
           0.75340514       0.38851487       0.31439444 
           0.50511124       0.46717421       0.56387313 
           0.49002319       0.55618618       0.94256807 
           0.76156996       0.46625611       0.68144274 
           0.75504942       0.53221726       0.84275158 
           0.50340514       0.23909338       0.93360943 
           0.75340514       0.23909338       0.81862403 
           0.75340514       0.31201074       0.68800689 
           0.50340514       0.38851487       0.93783902 
           0.75340514       0.38851487       0.81439444 
           0.13316810       0.66821566       0.76358110 
           0.45294720       0.66542356       0.47795611 
           0.20683990       0.60836756       0.73453617 
           0.50744139       0.60384810       0.51170232 
           0.99175413       0.59528940       0.52974908 
           0.27882848       0.59619496       0.21823914 
           0.02238141       0.59613653       0.05231801 
           0.77217752       0.59243409       0.21616248 
           0.50043366       0.61137574       0.02216888 
           0.71126738       0.47696102       0.93415542 
           0.00450782       0.18496815       0.53357463 
           0.25452803       0.18222785       0.23811945 
           0.24676943       0.18403156       0.73033175 
           0.51963290       0.19825456       0.55248265 
           0.74422535       0.18630726       0.21903838 
           0.49104669       0.18602668       0.03023416 
           0.80755472       0.18048142       0.76404097 
           0.26662949       0.70559649       0.90129122 
           0.60309119       0.69403762       0.32580080 
           0.87582387       0.66540932       0.81418898 
           0.54076331       0.71089653       0.62535493 
           0.08377782       0.59864358       0.59383118 
           0.17789448       0.59998055       0.15867376 
           0.91557557       0.59873674       0.10795736 
           0.71682423       0.62621907       0.24560444 
           0.43256792       0.61055422       0.10173600 
           0.81440842       0.45356605       0.94936945 
           0.14657562       0.69819375       0.64690365 
           0.11555238       0.69925936       0.37084680 
           0.02156829       0.15101948       0.49226272 
           0.32579718       0.18167301       0.16241534 
           0.15009160       0.18353238       0.66916314 
           0.42560477       0.19248028       0.61073439 
           0.77153950       0.15194959       0.25266059 
           0.59296184       0.18306173       0.08695851 
           0.85463791       0.17962146       0.67927082 
           0.04316316       0.71545203       0.34948905 
   
  
  
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          54 
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          61 
          62 
          63 
          64 
          65 
          66 
          67 
          68 
          69 
          70 
          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 
   
  
  
          0.02140332       0.46427135       0.07552158 
          0.01322254       0.54242375       0.43818475 
          0.27422371       0.46476409       0.19389428 
          0.26358132       0.54264552       0.31142630 
          0.00340514       0.23909338       0.43360943 
          0.25340514       0.23909338       0.31862403 
          0.00340514       0.31201074       0.06422657 
          0.25340514       0.31201074       0.18800689 
          0.00340514       0.38851487       0.43783902 
          0.25340514       0.38851487       0.31439444 
          0.01386996       0.46546219       0.55991216 
          0.01648280       0.54393673       0.95561438 
          0.25708499       0.46924525       0.69438701 
          0.24572309       0.55026649       0.81534862 
          0.25340514       0.23909338       0.81862403 
          0.00340514       0.31201074       0.56422657 
          0.25340514       0.31201074       0.68800689 
          0.00340514       0.38851487       0.93783902 
          0.25340514       0.38851487       0.81439444 
          0.51438649       0.47015199       0.05424504 
          0.51067800       0.54487337       0.43599318 
          0.75621267       0.46515686       0.19309605 
          0.76387108       0.54102839       0.31553037 
          0.50340514       0.23909338       0.43360943 
          0.75340514       0.23909338       0.31862403 
          0.50340514       0.31201074       0.06422657 
          0.75340514       0.31201074       0.18800689 
          0.50340514       0.38851487       0.43783902 
          0.75340514       0.38851487       0.31439444 
          0.50511124       0.46717421       0.56387313 
          0.49002319       0.55618618       0.94256807 
          0.76156996       0.46625611       0.68144274 
          0.75504942       0.53221726       0.84275158 
          0.50340514       0.23909338       0.93360943 
          0.75340514       0.23909338       0.81862403 
          0.75340514       0.31201074       0.68800689 
          0.50340514       0.38851487       0.93783902 
          0.75340514       0.38851487       0.81439444 
          0.13316810       0.66821566       0.76358110 
          0.45294720       0.66542356       0.47795611 
          0.20683990       0.60836756       0.73453617 
          0.50744139       0.60384810       0.51170232 
          0.99175413       0.59528940       0.52974908 
          0.27882848       0.59619496       0.21823914 
          0.02238141       0.59613653       0.05231801 
          0.77217752       0.59243409       0.21616248 
          0.50043366       0.61137574       0.02216888 
          0.71126738       0.47696102       0.93415542 
          0.00450782       0.18496815       0.53357463 
          0.25452803       0.18222785       0.23811945 
          0.24676943       0.18403156       0.73033175 
          0.51963290       0.19825456       0.55248265 
          0.74422535       0.18630726       0.21903838 
          0.49104669       0.18602668       0.03023416 
          0.80755472       0.18048142       0.76404097 
          0.26662949       0.70559649       0.90129122 
          0.60309119       0.69403762       0.32580080 
          0.87582387       0.66540932       0.81418898 
          0.54076331       0.71089653       0.62535493 
          0.08377782       0.59864358       0.59383118 
          0.17789448       0.59998055       0.15867376 
          0.91557557       0.59873674       0.10795736 
          0.71682423       0.62621907       0.24560444 
          0.43256792       0.61055422       0.10173600 
          0.81440842       0.45356605       0.94936945 
          0.14657562       0.69819375       0.64690365 
          0.11555238       0.69925936       0.37084680 
          0.02156829       0.15101948       0.49226272 
          0.32579718       0.18167301       0.16241534 
          0.15009160       0.18353238       0.66916314 
          0.42560477       0.19248028       0.61073439 
          0.77153950       0.15194959       0.25266059 
          0.59296184       0.18306173       0.08695851 
          0.85463791       0.17962146       0.67927082 
          0.04316316       0.71545203       0.34948905 
  
  
     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 
  
 
 
  
      29.41   29.43
      31.00   31.01
   
        117.93208328 
      23320.22703763 
     -34564.99340635 
        175.21213290 
      10046.92708312 
      -9370.43527668 
          0.00928666 
       -539.19208613 
      12445.10377463 
       1630.79062906 
       1630.78134239 
       1630.78753350 
   
  
  
      35.17   35.18
      35.17   35.18
   
       -120.93082185 
       -120.91944501 
       -120.92702957 
   
  
  
      32.15   32.17
      32.15   32.17
   
       -368.56108908 
       -368.57708183 
       -368.56642000 
   
  
  
      33.79   33.85
      33.79   33.85
   
       -377.56261719 
       -377.57532296 
       -377.56685244 
   
  
  
      34.46   34.50
      34.96   35.00
   
       -377.82439916 
       -377.83689527 
       -377.82856453 
   
  
  
      34.30   34.33
      37.06   37.10
   
      -2168.00183573 
      -2168.00739058 
      -2168.00368734 
   
  
  
      34.06   34.11
      35.55   35.62
   
     -11768.40759020 
     -11768.37549308 
     -11768.39689116 
   
  
  
      33.48   33.55
      34.95   35.01
   
       -233.57302183 
       -233.56063138 
       -233.56889168 
   
  
  
      32.39   32.44
      34.00   34.04
   
       -265.77358403 
       -265.77120647 
       -265.77279151 
   
  
  
      32.38   32.42
      34.01   34.05
   
       -272.68338562 
       -272.67417162 
       -272.68031429 
   
  
  
      31.91   31.97
      33.33   33.39
   
       -285.59249546 
       -285.61277630 
       -285.59925574 
   
  
  
      31.34   31.37
      32.77   32.80
   
       -304.57316090 
       -304.57923827 
       -304.57518669 
   
  
  
      31.55   31.61
      32.95   33.01
   
       -328.01409500 
       -328.01333703 
       -328.01384234 
   
  
  
      31.65   31.70
      33.01   33.06
   
       -349.96431933 
       -349.96438958 
       -349.96434274 
   
  
  
      30.96   31.03
      32.36   32.42
   
       -374.28592023 
       -374.30036844 
       -374.29073630 
   
  
  
      32.08   32.15
      33.65   33.72
   
       -384.10159345 
       -384.04919793 
       -384.08412827 
   
  
  
      32.73   32.81
      34.18   34.27
   
       -386.77469359 
       -386.72904958 
       -386.75947892 
   
  
  
      32.96   33.01
      34.43   34.48
   
       -386.50542767 
       -386.46010533 
       -386.49032022 
   
  
  
      32.07   32.13
      33.61   33.67
   
       -387.26306545 
       -387.22212141 
       -387.24941743 
   
  
  
      31.81   31.89
      33.45   33.53
   
       -388.21545015 
       -388.19101361 
       -388.20730464 
   
  
  
      32.62   32.67
      34.41   34.47
   
       -390.75308727 
       -390.73855428 
       -390.74824294 
   
  
  
      37.25   37.30
      38.87   38.92
   
       -434.35476831 
       -434.34803607 
       -434.35252423