vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 12 
  19:49:17 
 
 
  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 
    
   
   
           0.23024755       0.55236104       0.10826773 
           0.07672866       0.60072455       0.47986785 
           0.53087801       0.53210237       0.25486194 
           0.46545204       0.62369750       0.29908121 
           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 
           0.15673391       0.51715220       0.58273749 
           0.09213121       0.60720725       0.00972436 
           0.47080212       0.52427059       0.66494140 
           0.36264199       0.57154732       0.83611947 
           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 
           0.74521934       0.54440001       0.03861704 
           0.56699782       0.55235536       0.34986300 
           0.90666725       0.52422208       0.25082192 
           0.83366921       0.59247015       0.36966673 
           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 
           0.66239310       0.55522232       0.62556282 
           0.63798860       0.62544654       0.99681733 
           0.85526611       0.52284960       0.66121118 
           0.82587270       0.57427463       0.83441124 
           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 
           0.32866577       0.73578346       0.77996847 
           0.92372567       0.75640902       0.68157558 
           0.54490244       0.64648043       0.64213758 
           0.16055020       0.77098638       0.87001167 
           0.20420509       0.69911058       0.60010660 
           0.42317397       0.68683920       0.24652597 
           0.16193864       0.67540933       0.11156589 
           0.82765373       0.70359120       0.19177664 
           0.68500786       0.73647651       0.04696926 
           0.85209841       0.54241248       0.94151432 
           0.09335195       0.21835346       0.58983581 
           0.68110849       0.23647318       0.17309255 
           0.52511368       0.18293925       0.61700105 
           0.02010295       0.17197699       0.15606503 
           0.18305180       0.32798529       0.90565092 
           0.55975099       0.18622686       0.14165802 
           0.94251613       0.20300630       0.72069455 
           0.49257890       0.79718010       0.87756786 
           0.68674572       0.80726065       0.29102603 
           0.13916243       0.74596387       0.85746407 
           0.36804765       0.83362523       0.79404143 
           0.21967558       0.64805886       0.55804181 
           0.38499903       0.63621430       0.11476530 
           0.04477280       0.62714227       0.14509489 
           0.13309539       0.63782485       0.33350421 
           0.77146826       0.67552258       0.00796882 
           0.82366424       0.53482756       0.99903615 
           0.39879494       0.75073534       0.63824006 
           0.30807346       0.81526904       0.74799642 
           0.16556004       0.21412787       0.46516241 
           0.54707379       0.24817216       0.00448655 
           0.13534305       0.26328305       0.60219081 
           0.99902543       0.19781744       0.91742777 
           0.00082830       0.11837216       0.36860970 
           0.79069275       0.26152563       0.17819504 
           0.95683595       0.24861865       0.58804892 
           0.15365705       0.46843522       0.53100917 
   
  
  
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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 
   
  
  
          0.23024755       0.55236104       0.10826773 
          0.07672866       0.60072455       0.47986785 
          0.53087801       0.53210237       0.25486194 
          0.46545204       0.62369750       0.29908121 
          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 
          0.15673391       0.51715220       0.58273749 
          0.09213121       0.60720725       0.00972436 
          0.47080212       0.52427059       0.66494140 
          0.36264199       0.57154732       0.83611947 
          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 
          0.74521934       0.54440001       0.03861704 
          0.56699782       0.55235536       0.34986300 
          0.90666725       0.52422208       0.25082192 
          0.83366921       0.59247015       0.36966673 
          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 
          0.66239310       0.55522232       0.62556282 
          0.63798860       0.62544654       0.99681733 
          0.85526611       0.52284960       0.66121118 
          0.82587270       0.57427463       0.83441124 
          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 
          0.32866577       0.73578346       0.77996847 
          0.92372567       0.75640902       0.68157558 
          0.54490244       0.64648043       0.64213758 
          0.16055020       0.77098638       0.87001167 
          0.20420509       0.69911058       0.60010660 
          0.42317397       0.68683920       0.24652597 
          0.16193864       0.67540933       0.11156589 
          0.82765373       0.70359120       0.19177664 
          0.68500786       0.73647651       0.04696926 
          0.85209841       0.54241248       0.94151432 
          0.09335195       0.21835346       0.58983581 
          0.68110849       0.23647318       0.17309255 
          0.52511368       0.18293925       0.61700105 
          0.02010295       0.17197699       0.15606503 
          0.18305180       0.32798529       0.90565092 
          0.55975099       0.18622686       0.14165802 
          0.94251613       0.20300630       0.72069455 
          0.49257890       0.79718010       0.87756786 
          0.68674572       0.80726065       0.29102603 
          0.13916243       0.74596387       0.85746407 
          0.36804765       0.83362523       0.79404143 
          0.21967558       0.64805886       0.55804181 
          0.38499903       0.63621430       0.11476530 
          0.04477280       0.62714227       0.14509489 
          0.13309539       0.63782485       0.33350421 
          0.77146826       0.67552258       0.00796882 
          0.82366424       0.53482756       0.99903615 
          0.39879494       0.75073534       0.63824006 
          0.30807346       0.81526904       0.74799642 
          0.16556004       0.21412787       0.46516241 
          0.54707379       0.24817216       0.00448655 
          0.13534305       0.26328305       0.60219081 
          0.99902543       0.19781744       0.91742777 
          0.00082830       0.11837216       0.36860970 
          0.79069275       0.26152563       0.17819504 
          0.95683595       0.24861865       0.58804892 
          0.15365705       0.46843522       0.53100917 
  
  
     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 
  
 
 
  
      29.08   29.10
      31.91   31.92
   
        117.93208328 
      10436.93907447 
     -21357.30086753 
        170.60769117 
      10046.92708312 
      -9370.43527668 
         -0.00983300 
       -583.97310473 
      12445.10377463 
       1905.79062473 
       1905.80045773 
       1905.79390239 
   
  
  
      34.99   35.00
      35.00   35.01
   
        194.51487480 
        194.53717982 
        194.52230981 
   
  
  
      33.95   33.99
      33.95   33.99
   
        -62.96058210 
        -62.96801497 
        -62.96305973 
   
  
  
      34.51   34.55
      34.51   34.55
   
        -74.02513420 
        -74.03434942 
        -74.02820594 
   
  
  
      37.96   38.00
      38.43   38.47
   
        -74.46657676 
        -74.47667373 
        -74.46994241 
   
  
  
      33.00   33.08
      35.06   35.13
   
        -21.54887274 
        -21.56666983 
        -21.55480511 
   
  
  
      48.82   48.89
      50.51   50.58
   
      -4122.17692673 
      -4122.18748675 
      -4122.18044674 
   
  
  
      38.07   38.12
      39.56   39.61
   
      -3211.49654276 
      -3211.49918074 
      -3211.49742209 
   
  
  
      35.74   35.82
      37.21   37.29
   
      -1697.66430611 
      -1697.67886977 
      -1697.66916066 
   
  
  
      37.68   37.72
      39.19   39.23
   
       -434.08217916 
       -434.07388530 
       -434.07941454 
   
  
  
      38.41   38.48
      39.90   39.98
   
       -182.34773820 
       -182.35112541 
       -182.34886727 
   
  
  
      37.16   37.22
      38.67   38.74
   
        -98.32485683 
        -98.32294819 
        -98.32422062 
   
  
  
      35.18   35.22
      37.11   37.15
   
         -8.58923170 
         -8.54910698 
         -8.57585680 
   
  
  
      33.45   33.49
      34.92   34.97
   
         18.15588547 
         18.17717071 
         18.16298055 
   
  
  
      34.25   34.30
      35.77   35.81
   
         17.39277455 
         17.40296069 
         17.39616993 
   
  
  
      34.57   34.65
      36.08   36.17
   
         13.62285315 
         13.63804893 
         13.62791841 
   
  
  
      34.50   34.56
      36.08   36.15
   
          9.53996683 
          9.58551476 
          9.55514947 
   
  
  
      34.08   34.12
      35.75   35.79
   
          7.90512532 
          7.87994451 
          7.89673172 
   
  
  
      34.77   34.82
      36.32   36.38
   
          6.54781557 
          6.57102050 
          6.55555055 
   
  
  
      33.22   33.28
      34.80   34.86
   
          4.23942263 
          4.24988715 
          4.24291080 
   
  
  
      34.08   34.14
      35.56   35.63
   
          2.64542435 
          2.67241405 
          2.65442092 
   
  
  
      33.09   33.17
      34.90   34.97
   
          0.62544495 
          0.62462880 
          0.62517290 
   
  
  
      33.70   33.76
      35.74   35.79
   
         -2.09753121 
         -2.08925592 
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      33.32   33.38
      34.83   34.89
   
         -6.64655938 
         -6.63377702 
         -6.64229860 
   
  
  
      34.38   34.43
      35.84   35.89
   
        -10.69335421 
        -10.68824077 
        -10.69164973 
   
  
  
      34.79   34.87
      36.41   36.50
   
        -12.39043568 
        -12.37355416 
        -12.38480851 
   
  
  
      32.64   32.70
      34.23   34.29
   
        -14.21119335 
        -14.22516098 
        -14.21584923 
   
  
  
      33.71   33.75
      35.19   35.23
   
        -16.46529361 
        -16.49469313 
        -16.47509345 
   
  
  
      35.62   35.68
      37.17   37.23
   
        -17.54732434 
        -17.58220580 
        -17.55895149 
   
  
  
      33.28   33.35
      34.98   35.04
   
        -18.81178910 
        -18.84495427 
        -18.82284416 
   
  
  
      34.64   34.71
      36.40   36.47
   
        -22.41123792 
        -22.42740858 
        -22.41662814 
   
  
  
      32.09   32.15
      33.65   33.71
   
        -24.44626125 
        -24.46234700 
        -24.45162316 
   
  
  
      33.99   34.03
      35.48   35.52
   
        -25.41296700 
        -25.43222810 
        -25.41938736 
   
  
  
      32.69   32.77
      34.56   34.64
   
        -27.63903877 
        -27.66772761 
        -27.64860172 
   
  
  
      32.45   32.50
      34.64   34.68
   
        -31.49672822 
        -31.53147938 
        -31.50831194 
   
  
  
      32.48   32.54
      34.72   34.77
   
        -34.28295323 
        -34.31597798 
        -34.29396148