vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 11 
  23:51:23 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.77000000      0.32000000      0.99000000
  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 
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           0.25504742       0.54436531       0.31485075 
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           0.24877550       0.23619258       0.31929047 
           0.99877550       0.30910994       0.06489301 
           0.24877550       0.30910994       0.18867333 
           0.99877550       0.38561407       0.43850546 
           0.24877550       0.38561407       0.31506088 
           0.01018359       0.46172927       0.56059901 
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           0.51292381       0.60516957       0.49609290 
           0.99443545       0.58915591       0.53899895 
           0.24171347       0.60093710       0.23862069 
           0.01361753       0.59318686       0.03551136 
           0.75661582       0.58955847       0.21063743 
           0.48489775       0.59638750       0.04463727 
           0.73022586       0.46206947       0.90760730 
           0.14339584       0.70673829       0.63507564 
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           0.20017064       0.70651355       0.54536262 
           0.00402730       0.70465066       0.62113332 
           0.61047230       0.76699069       0.52100264 
           0.18103958       0.74820569       0.64061068 
           0.43849909       0.73778873       0.44742955 
           0.44897410       0.74041469       0.61476850 
           0.07780348       0.59244550       0.60746608 
           0.30572146       0.60401235       0.15987217 
           0.92930670       0.59536394       0.10425951 
           0.76401428       0.62358007       0.25531937 
           0.58581806       0.59683218       0.10249398 
           0.76098202       0.46232646       0.99741073 
           0.41535963       0.69934609       0.86274632 
           0.78370181       0.67738597       0.38926091 
           0.00169774       0.69616817       0.90070024 
           0.72848538       0.64976779       0.68793702 
   
  
  
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          62 
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          64 
          65 
          66 
  
 
 
  
          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 
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          0.33333333       0.00000000       0.50000000 
  
  
          0.16666667 
          0.33333333 
          0.16666667 
          0.33333333 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      162
       -1
       -1
       256.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -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
     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
           0.00000002
           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      0.77000000      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     16.00000000     12.01100000      1.00000000     35.45300000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      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
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    F  
    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        19.12059192
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
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         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
       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  
  
 
 
        66 
         5 
  
   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
    C    3
    C    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
    Cl   5
    Cl   5
    Cl   5
    Cl   5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      40Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       8O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      12H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       4Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
   
  
 
 
  
   
           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 
   
  
  
          0.01161170       0.46088345       0.06979967 
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          0.24877550       0.38561407       0.31506088 
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          0.24877550       0.23619258       0.81929047 
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          0.24877550       0.38561407       0.81506088 
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          0.74877550       0.23619258       0.31929047 
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          0.74877550       0.30910994       0.18867333 
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          0.74877550       0.38561407       0.31506088 
          0.49547848       0.46540234       0.55616715 
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          0.74709508       0.52357675       0.83671844 
          0.49877550       0.23619258       0.93427587 
          0.74877550       0.23619258       0.81929047 
          0.74877550       0.30910994       0.68867333 
          0.49877550       0.38561407       0.93850546 
          0.74877550       0.38561407       0.81506088 
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          0.60900393       0.66026889       0.52676216 
          0.20663391       0.60810216       0.75288387 
          0.51292381       0.60516957       0.49609290 
          0.99443545       0.58915591       0.53899895 
          0.24171347       0.60093710       0.23862069 
          0.01361753       0.59318686       0.03551136 
          0.75661582       0.58955847       0.21063743 
          0.48489775       0.59638750       0.04463727 
          0.73022586       0.46206947       0.90760730 
          0.14339584       0.70673829       0.63507564 
          0.51370441       0.73543362       0.52872300 
          0.20017064       0.70651355       0.54536262 
          0.00402730       0.70465066       0.62113332 
          0.61047230       0.76699069       0.52100264 
          0.18103958       0.74820569       0.64061068 
          0.43849909       0.73778873       0.44742955 
          0.44897410       0.74041469       0.61476850 
          0.07780348       0.59244550       0.60746608 
          0.30572146       0.60401235       0.15987217 
          0.92930670       0.59536394       0.10425951 
          0.76401428       0.62358007       0.25531937 
          0.58581806       0.59683218       0.10249398 
          0.76098202       0.46232646       0.99741073 
          0.41535963       0.69934609       0.86274632 
          0.78370181       0.67738597       0.38926091 
          0.00169774       0.69616817       0.90070024 
          0.72848538       0.64976779       0.68793702 
  
  
     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 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
       5.91    6.01
       6.33    6.43
   
         86.77061607 
      28026.22664862 
     -36701.93816271 
        -17.32482619 
       7841.10245098 
      -7153.46082637 
          0.02207378 
       -305.70409028 
       9663.60131947 
       1439.29520337 
       1439.27312959 
       1439.28784544 
   
  
  
      19.79   19.79
      19.79   19.79
   
       -110.41743847 
       -110.40731235 
       -110.41406310 
   
  
  
      18.63   18.63
      18.64   18.63
   
       -350.15953663 
       -350.15331019 
       -350.15746115 
   
  
  
      19.31   19.31
      19.31   19.31
   
       -361.23949594 
       -361.22770782 
       -361.23556657 
   
  
  
      19.95   19.95
      20.12   20.12
   
       -361.66181070 
       -361.64994004 
       -361.65785381 
   
  
  
      19.51   19.50
      20.03   20.03
   
       -339.38356494 
       -339.37342129 
       -339.38018372 
   
  
  
      17.88   17.87
      18.40   18.40
   
       -339.39369049 
       -339.39430710 
       -339.39389602 
   
  
  
      18.26   18.26
      18.81   18.81
   
       -338.89401029 
       -338.86725922 
       -338.88509327 
   
  
  
      18.01   18.00
      18.54   18.53
   
       -338.57910325 
       -338.55821532 
       -338.57214060 
   
  
  
      17.73   17.73
      18.29   18.29
   
       -338.45303344 
       -338.40905188 
       -338.43837292 
   
  
  
      18.05   18.05
      18.62   18.62
   
       -338.47054609 
       -338.43918265 
       -338.46009161 
   
  
  
      18.06   18.06
      18.65   18.65
   
       -338.45836938 
       -338.41624645 
       -338.44432840 
   
  
  
      18.18   18.17
      18.75   18.75
   
       -338.45291158 
       -338.41239049 
       -338.43940455 
   
  
  
      18.26   18.26
      18.82   18.82
   
       -338.45284666 
       -338.41135449 
       -338.43901593 
   
  
  
      18.92   18.92
      19.50   19.50
   
       -338.45275850 
       -338.41140078 
       -338.43897259 
   
  
  
      18.86   18.86
      19.42   19.42
   
       -338.45275365 
       -338.41125778 
       -338.43892170 
   
  
  
      18.79   18.78
      19.34   19.34
   
       -338.45291943 
       -338.41152137 
       -338.43912008 
   
  
  
      18.53   18.53
      19.10   19.10
   
       -338.45338091 
       -338.41192475 
       -338.43956219 
   
  
  
      18.56   18.55
      19.14   19.13
   
       -338.45367848 
       -338.41223595 
       -338.43986431 
   
  
  
      17.95   17.95
      18.54   18.54
   
       -338.45421401 
       -338.41273155 
       -338.44038652 
   
  
  
      17.47   17.47
      18.02   18.01
   
       -338.45479156 
       -338.41331495 
       -338.44096603 
   
  
  
      17.99   17.99
      18.58   18.58
   
       -338.45503707 
       -338.41356025 
       -338.44121146 
   
  
  
      15.21   15.21
      15.77   15.77
   
       -338.45514494 
       -338.41367397 
       -338.44132128 
   
  
  
      13.09   13.09
      13.64   13.64
   
       -338.45534616 
       -338.41388014 
       -338.44152415 
   
  
  
      13.74   13.74