vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 12 
  18:10:54 
 
 
  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 
    
   
   
           0.01334542       0.46321128       0.07724452 
           0.01363379       0.56019903       0.47181444 
           0.27688037       0.46138050       0.18220338 
           0.22327810       0.55833700       0.27957432 
           0.00383078       0.23934099       0.43374902 
           0.25383078       0.23934099       0.31876362 
           0.00383078       0.31225835       0.06436616 
           0.25383078       0.31225835       0.18814648 
           0.00383078       0.38876248       0.43797861 
           0.25383078       0.38876248       0.31453403 
           0.01140450       0.46671541       0.56943214 
           0.01477168       0.55217658       0.97158158 
           0.25414051       0.46690262       0.69688697 
           0.24373156       0.56078155       0.80225962 
           0.25383078       0.23934099       0.81876362 
           0.00383078       0.31225835       0.56436616 
           0.25383078       0.31225835       0.68814648 
           0.00383078       0.38876248       0.93797861 
           0.25383078       0.38876248       0.81453403 
           0.51938821       0.47064689       0.05696153 
           0.51083189       0.53798569       0.43004702 
           0.76472587       0.46205684       0.18751062 
           0.78457271       0.54205781       0.28885604 
           0.50383078       0.23934099       0.43374902 
           0.75383078       0.23934099       0.31876362 
           0.50383078       0.31225835       0.06436616 
           0.75383078       0.31225835       0.18814648 
           0.50383078       0.38876248       0.43797861 
           0.75383078       0.38876248       0.31453403 
           0.50909717       0.45226864       0.58319307 
           0.49724527       0.56691686       0.95904373 
           0.76617630       0.46659350       0.68861335 
           0.76002043       0.53645842       0.84345870 
           0.50383078       0.23934099       0.93374902 
           0.75383078       0.23934099       0.81876362 
           0.75383078       0.31225835       0.68814648 
           0.50383078       0.38876248       0.93797861 
           0.75383078       0.38876248       0.81453403 
           0.13806835       0.68165064       0.75505804 
           0.56517387       0.70645692       0.55101666 
           0.24454435       0.57125095       0.75907868 
           0.73840614       0.44708545       0.60552249 
           0.03013527       0.59504945       0.45137584 
           0.24518082       0.59331563       0.27951450 
           0.04337815       0.58930093       0.02453866 
           0.85775968       0.53408221       0.20886463 
           0.49796126       0.60122141       0.99548354 
           0.71957878       0.47703478       0.95084005 
           0.99960843       0.19924645       0.54381401 
           0.25384842       0.19387256       0.24170549 
           0.26827770       0.19047519       0.75770355 
           0.56157889       0.20229127       0.48157907 
           0.76010386       0.19127670       0.23181267 
           0.50920381       0.18891210       0.03691744 
           0.79723774       0.18594731       0.78175175 
           0.25920784       0.70741792       0.88887355 
           0.64765446       0.73217416       0.24207798 
           0.85797216       0.67244177       0.81863976 
           0.70942322       0.77555290       0.80198314 
           0.08266332       0.58825446       0.62350163 
           0.18497231       0.59846108       0.16190716 
           0.92944303       0.59844181       0.10600412 
           0.64735980       0.66057869       0.25809721 
           0.41387861       0.60695509       0.11108067 
           0.79905832       0.45042222       0.94194406 
           0.14165506       0.69586478       0.67150677 
           0.97395471       0.86148090       0.99783458 
           0.02900432       0.14378618       0.47625175 
           0.30704882       0.17963529       0.18565537 
           0.13541548       0.18444866       0.66014254 
           0.41998917       0.18791667       0.61287324 
           0.76523900       0.16232246       0.24578194 
           0.57932826       0.18372945       0.08471025 
           0.84910104       0.18029693       0.67647929 
           0.54056392       0.59664562       0.44302487 
   
  
  
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          64 
          65 
          66 
          67 
          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 
   
  
  
          0.01334542       0.46321128       0.07724452 
          0.01363379       0.56019903       0.47181444 
          0.27688037       0.46138050       0.18220338 
          0.22327810       0.55833700       0.27957432 
          0.00383078       0.23934099       0.43374902 
          0.25383078       0.23934099       0.31876362 
          0.00383078       0.31225835       0.06436616 
          0.25383078       0.31225835       0.18814648 
          0.00383078       0.38876248       0.43797861 
          0.25383078       0.38876248       0.31453403 
          0.01140450       0.46671541       0.56943214 
          0.01477168       0.55217658       0.97158158 
          0.25414051       0.46690262       0.69688697 
          0.24373156       0.56078155       0.80225962 
          0.25383078       0.23934099       0.81876362 
          0.00383078       0.31225835       0.56436616 
          0.25383078       0.31225835       0.68814648 
          0.00383078       0.38876248       0.93797861 
          0.25383078       0.38876248       0.81453403 
          0.51938821       0.47064689       0.05696153 
          0.51083189       0.53798569       0.43004702 
          0.76472587       0.46205684       0.18751062 
          0.78457271       0.54205781       0.28885604 
          0.50383078       0.23934099       0.43374902 
          0.75383078       0.23934099       0.31876362 
          0.50383078       0.31225835       0.06436616 
          0.75383078       0.31225835       0.18814648 
          0.50383078       0.38876248       0.43797861 
          0.75383078       0.38876248       0.31453403 
          0.50909717       0.45226864       0.58319307 
          0.49724527       0.56691686       0.95904373 
          0.76617630       0.46659350       0.68861335 
          0.76002043       0.53645842       0.84345870 
          0.50383078       0.23934099       0.93374902 
          0.75383078       0.23934099       0.81876362 
          0.75383078       0.31225835       0.68814648 
          0.50383078       0.38876248       0.93797861 
          0.75383078       0.38876248       0.81453403 
          0.13806835       0.68165064       0.75505804 
          0.56517387       0.70645692       0.55101666 
          0.24454435       0.57125095       0.75907868 
          0.73840614       0.44708545       0.60552249 
          0.03013527       0.59504945       0.45137584 
          0.24518082       0.59331563       0.27951450 
          0.04337815       0.58930093       0.02453866 
          0.85775968       0.53408221       0.20886463 
          0.49796126       0.60122141       0.99548354 
          0.71957878       0.47703478       0.95084005 
          0.99960843       0.19924645       0.54381401 
          0.25384842       0.19387256       0.24170549 
          0.26827770       0.19047519       0.75770355 
          0.56157889       0.20229127       0.48157907 
          0.76010386       0.19127670       0.23181267 
          0.50920381       0.18891210       0.03691744 
          0.79723774       0.18594731       0.78175175 
          0.25920784       0.70741792       0.88887355 
          0.64765446       0.73217416       0.24207798 
          0.85797216       0.67244177       0.81863976 
          0.70942322       0.77555290       0.80198314 
          0.08266332       0.58825446       0.62350163 
          0.18497231       0.59846108       0.16190716 
          0.92944303       0.59844181       0.10600412 
          0.64735980       0.66057869       0.25809721 
          0.41387861       0.60695509       0.11108067 
          0.79905832       0.45042222       0.94194406 
          0.14165506       0.69586478       0.67150677 
          0.97395471       0.86148090       0.99783458 
          0.02900432       0.14378618       0.47625175 
          0.30704882       0.17963529       0.18565537 
          0.13541548       0.18444866       0.66014254 
          0.41998917       0.18791667       0.61287324 
          0.76523900       0.16232246       0.24578194 
          0.57932826       0.18372945       0.08471025 
          0.84910104       0.18029693       0.67647929 
          0.54056392       0.59664562       0.44302487 
  
  
     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 
  
 
 
  
      29.86   29.88
      31.09   31.11
   
        117.93208328 
      24487.85671410 
     -34853.02091890 
        175.33894359 
      10046.92708312 
      -9370.43527668 
          0.00682044 
       -770.59325836 
      12445.10377463 
       2279.11596522 
       2279.10914477 
       2279.11369174 
   
  
  
      36.14   36.16
      36.14   36.16
   
        250.02494598 
        250.01321862 
        250.02103686 
   
  
  
      33.47   33.49
      33.47   33.49
   
        -59.72810084 
        -59.76181753 
        -59.73933974 
   
  
  
      35.41   35.47
      35.42   35.47
   
        -70.22862334 
        -70.25902614 
        -70.23875760 
   
  
  
      34.68   34.74
      34.95   35.01
   
        -70.48950048 
        -70.51962639 
        -70.49954245 
   
  
  
      30.39   30.45
      31.74   31.80
   
        144.17078823 
        144.14170753 
        144.16109467 
   
  
  
      32.16   32.19
      33.52   33.55
   
       -394.82250911 
       -394.84952846 
       -394.83151556 
   
  
  
      30.80   30.86
      32.36   32.42
   
        156.82386230 
        156.81431387 
        156.82067949 
   
  
  
      31.63   31.69
      33.78   33.83
   
        142.10164504 
        142.09876724 
        142.10068577 
   
  
  
      32.55   32.60
      34.33   34.38
   
        117.18743367 
        117.17548576 
        117.18345103 
   
  
  
      34.44   34.50
      36.51   36.57
   
        106.98894701 
        107.02060459 
        106.99949954 
   
  
  
      32.60   32.65
      34.32   34.38
   
         95.64842919 
         95.63766919 
         95.64484252 
   
  
  
      32.81   32.89
      35.49   35.57
   
         92.18365729 
         92.16531958 
         92.17754472 
   
  
  
      32.75   32.79
      34.67   34.71
   
         90.41994051 
         90.41592682 
         90.41860261 
   
  
  
      32.80   32.84
      34.78   34.81
   
         81.01305799 
         80.97540660 
         81.00050753 
   
  
  
      31.43   31.49
      33.26   33.31
   
         73.59200754 
         73.56686365 
         73.58362624 
   
  
  
      32.67   32.75
      34.38   34.46
   
         70.97859191 
         70.95908878 
         70.97209087 
   
  
  
      31.35   31.40
      33.00   33.04
   
         64.52769712 
         64.53615981 
         64.53051802 
   
  
  
      34.19   34.24
      35.79   35.84
   
         63.80986488 
         63.81873632 
         63.81282203 
   
  
  
      31.55   31.60
      33.04   33.09
   
         64.28679120 
         64.29403319 
         64.28920520 
   
  
  
      31.11   31.20
      32.75   32.84
   
         64.65137704 
         64.63367071 
         64.64547493 
   
  
  
      32.43   32.47
      34.17   34.22
   
         61.81894449 
         61.79954990 
         61.81247963 
   
  
  
      31.51   31.56
      33.15   33.20
   
         65.17458411 
         65.17699034 
         65.17538619 
   
  
  
      33.53   33.59
      35.24   35.30
   
         65.23732450 
         65.23982890 
         65.23815930 
   
  
  
      36.12   36.19
      37.75   37.82
   
         65.22909086 
         65.23167920 
         65.22995364 
   
  
  
      32.98   33.03
      34.62   34.67
   
         65.21108385 
         65.21393093 
         65.21203287 
   
  
  
      31.74   31.81
      33.48   33.54
   
         64.73346034 
         64.73831344 
         64.73507804 
   
  
  
      30.95   31.03
      32.73   32.81
   
         52.91412431 
         52.93389082 
         52.92071314 
   
  
  
      32.15   32.23
      34.12   34.21
   
         43.87444119 
         43.87833539 
         43.87573926 
   
  
  
      33.85   33.93
      35.67   35.76
   
         41.12982710 
         41.14774035 
         41.13579818 
   
  
  
      32.15   32.22
      33.96   34.04
   
         38.48253286 
         38.51424845 
         38.49310472 
   
  
  
      33.25   33.29
      35.29   35.34
   
         38.28914760 
         38.32385699 
         38.30071740 
   
  
  
      32.46   32.55
      34.36   34.45
   
         38.06175653 
         38.09330672 
         38.07227326 
   
  
  
      33.60   33.65
      35.41   35.46
   
         37.44674815 
         37.47291406 
         37.45547012 
   
  
  
      33.24   33.32
      34.80   34.88
   
         37.32631542 
         37.35305065 
         37.33522717 
   
  
  
      31.67   31.74
      33.24   33.31
   
         37.61594142 
         37.63814696 
         37.62334326 
   
  
  
      31.20   31.23
      33.04   33.07
   
         39.00396984 
         39.00742008 
         39.00511992 
   
  
  
      30.34   30.42
      32.17   32.24
   
         36.69653694 
         36.72944221 
         36.70750536 
   
  
  
      30.13   30.19
      31.99   32.05
   
         37.50762907 
         37.54130842 
         37.51885552 
   
  
  
      31.39   31.45
      33.11   33.16
   
         38.00824717 
         38.04128074 
         38.01925836 
   
  
  
      27.53   27.60
      29.59   29.66
   
         38.20112747 
         38.23380804 
         38.21202099 
   
  
  
      26.66   26.71
      28.71   28.75
   
         36.66003456 
         36.69694516 
         36.67233809 
   
  
  
      23.96   24.02
      25.59   25.65
   
         37.98600069 
         38.02036102 
         37.99745414 
   
  
  
      23.99   24.06
      26.41   26.47
   
         39.64218052 
         39.67495755 
         39.65310620 
   
  
  
      23.79   23.84
      25.63   25.69
   
         43.73039305 
         43.76642462 
         43.74240357 
   
  
  
      21.99   22.05
      23.50   23.55
   
         49.16922074 
         49.21010334 
         49.18284828