vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 12 
  20:59:43 
 
 
  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 
    
   
   
           0.93822447       0.61350369       0.43498930 
           0.49062616       0.22081627       0.46151142 
           0.27435840       0.46901489       0.67792741 
           0.43702642       0.75552858       0.73302774 
           0.00042564       0.23736012       0.43263229 
           0.25042564       0.23736012       0.31764689 
           0.00042564       0.31027748       0.06324943 
           0.25042564       0.31027748       0.18702975 
           0.00042564       0.38678161       0.43686188 
           0.25042564       0.38678161       0.31341730 
           0.83772363       0.64751044       0.89614782 
           0.80456583       0.32580885       0.96785085 
           0.80237617       0.37821678       0.21968681 
           0.82860743       0.62540791       0.10961380 
           0.25042564       0.23736012       0.81764689 
           0.00042564       0.31027748       0.56324943 
           0.25042564       0.31027748       0.68702975 
           0.00042564       0.38678161       0.93686188 
           0.25042564       0.38678161       0.81341730 
           0.83416874       0.59904793       0.55947063 
           0.41351243       0.60908029       0.43048085 
           0.71701704       0.85259218       0.55759980 
           0.24632026       0.50556160       0.74656104 
           0.50042564       0.23736012       0.43263229 
           0.75042564       0.23736012       0.31764689 
           0.50042564       0.31027748       0.06324943 
           0.75042564       0.31027748       0.18702975 
           0.50042564       0.38678161       0.43686188 
           0.75042564       0.38678161       0.31341730 
           0.32934376       0.38047696       0.11566648 
           0.95323608       0.16620557       0.74150759 
           0.72360522       0.63336265       0.01891682 
           0.13004894       0.20800091       0.17304243 
           0.50042564       0.23736012       0.93263229 
           0.75042564       0.23736012       0.81764689 
           0.75042564       0.31027748       0.68702975 
           0.50042564       0.38678161       0.93686188 
           0.75042564       0.38678161       0.81341730 
           0.79675626       0.97859733       0.88608352 
           0.70511436       0.98582238       0.12143027 
           0.40272185       0.87480413       0.54365957 
           0.12785316       0.11383477       0.66373774 
           0.68433386       0.05731811       0.43233859 
           0.93935222       0.82129817       0.55526962 
           0.61969723       0.05355519       0.66278844 
           0.03912690       0.52246266       0.66112637 
           0.51571715       0.54977308       0.70612151 
           0.22013989       0.11417737       0.62982335 
           0.27788744       0.03674398       0.53194406 
           0.38939844       0.66947167       0.18713233 
           0.38590783       0.79901898       0.09251440 
           0.33587561       0.55816001       0.80664720 
           0.59795736       0.89341372       0.15462613 
           0.43800635       0.75260033       0.67663958 
           0.47186061       0.73889621       0.23068127 
           0.77221714       0.30258017       0.35864187 
           0.45214634       0.08033542       0.90388289 
           0.44218683       0.86238922       0.20161190 
           0.58739564       0.85165407       0.58150639 
           0.27608496       0.19286855       0.11215235 
           0.98472819       0.65687367       0.21511137 
           0.70796383       0.79027074       0.18828272 
           0.77329918       0.64153564       0.37149830 
           0.44858531       0.55308293       0.79276311 
           0.79205945       0.41070265       0.96268793 
           0.37409942       0.88028591       0.31618351 
           0.25686001       0.41064824       0.94076109 
           0.68880088       0.10447125       0.94871914 
           0.85379804       0.81564609       0.60683651 
           0.19063500       0.41551884       0.17986319 
           0.20923775       0.02995381       0.80356456 
           0.48590207       0.36516103       0.01896305 
           0.68229217       0.49279861       0.60552548 
           0.33057724       0.69498324       0.07790409 
           0.84149572       0.62966971       0.84765783 
   
  
  
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          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 
   
  
  
          0.93822447       0.61350369       0.43498930 
          0.49062616       0.22081627       0.46151142 
          0.27435840       0.46901489       0.67792741 
          0.43702642       0.75552858       0.73302774 
          0.00042564       0.23736012       0.43263229 
          0.25042564       0.23736012       0.31764689 
          0.00042564       0.31027748       0.06324943 
          0.25042564       0.31027748       0.18702975 
          0.00042564       0.38678161       0.43686188 
          0.25042564       0.38678161       0.31341730 
          0.83772363       0.64751044       0.89614782 
          0.80456583       0.32580885       0.96785085 
          0.80237617       0.37821678       0.21968681 
          0.82860743       0.62540791       0.10961380 
          0.25042564       0.23736012       0.81764689 
          0.00042564       0.31027748       0.56324943 
          0.25042564       0.31027748       0.68702975 
          0.00042564       0.38678161       0.93686188 
          0.25042564       0.38678161       0.81341730 
          0.83416874       0.59904793       0.55947063 
          0.41351243       0.60908029       0.43048085 
          0.71701704       0.85259218       0.55759980 
          0.24632026       0.50556160       0.74656104 
          0.50042564       0.23736012       0.43263229 
          0.75042564       0.23736012       0.31764689 
          0.50042564       0.31027748       0.06324943 
          0.75042564       0.31027748       0.18702975 
          0.50042564       0.38678161       0.43686188 
          0.75042564       0.38678161       0.31341730 
          0.32934376       0.38047696       0.11566648 
          0.95323608       0.16620557       0.74150759 
          0.72360522       0.63336265       0.01891682 
          0.13004894       0.20800091       0.17304243 
          0.50042564       0.23736012       0.93263229 
          0.75042564       0.23736012       0.81764689 
          0.75042564       0.31027748       0.68702975 
          0.50042564       0.38678161       0.93686188 
          0.75042564       0.38678161       0.81341730 
          0.79675626       0.97859733       0.88608352 
          0.70511436       0.98582238       0.12143027 
          0.40272185       0.87480413       0.54365957 
          0.12785316       0.11383477       0.66373774 
          0.68433386       0.05731811       0.43233859 
          0.93935222       0.82129817       0.55526962 
          0.61969723       0.05355519       0.66278844 
          0.03912690       0.52246266       0.66112637 
          0.51571715       0.54977308       0.70612151 
          0.22013989       0.11417737       0.62982335 
          0.27788744       0.03674398       0.53194406 
          0.38939844       0.66947167       0.18713233 
          0.38590783       0.79901898       0.09251440 
          0.33587561       0.55816001       0.80664720 
          0.59795736       0.89341372       0.15462613 
          0.43800635       0.75260033       0.67663958 
          0.47186061       0.73889621       0.23068127 
          0.77221714       0.30258017       0.35864187 
          0.45214634       0.08033542       0.90388289 
          0.44218683       0.86238922       0.20161190 
          0.58739564       0.85165407       0.58150639 
          0.27608496       0.19286855       0.11215235 
          0.98472819       0.65687367       0.21511137 
          0.70796383       0.79027074       0.18828272 
          0.77329918       0.64153564       0.37149830 
          0.44858531       0.55308293       0.79276311 
          0.79205945       0.41070265       0.96268793 
          0.37409942       0.88028591       0.31618351 
          0.25686001       0.41064824       0.94076109 
          0.68880088       0.10447125       0.94871914 
          0.85379804       0.81564609       0.60683651 
          0.19063500       0.41551884       0.17986319 
          0.20923775       0.02995381       0.80356456 
          0.48590207       0.36516103       0.01896305 
          0.68229217       0.49279861       0.60552548 
          0.33057724       0.69498324       0.07790409 
          0.84149572       0.62966971       0.84765783 
  
  
     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 
  
 
 
  
      29.34   29.35
      31.52   31.53
   
        117.93208328 
       -137.23778747 
     -10316.22031304 
        161.31897915 
      10046.92708312 
      -9370.43527668 
         -0.00432304 
       -624.94989868 
      12445.10377463 
       2322.43432126 
       2322.43864431 
       2322.43576228 
   
  
  
      36.37   36.38
      36.37   36.38
   
        566.13838673 
        566.14605462 
        566.14094269 
   
  
  
      35.19   35.26
      35.20   35.26
   
        287.07009488 
        287.01484083 
        287.05167686 
   
  
  
      36.92   36.98
      36.92   36.98
   
        273.53213730 
        273.49459298 
        273.51962253 
   
  
  
      37.85   37.91
      38.25   38.31
   
        273.07064801 
        273.03374916 
        273.05834839 
   
  
  
      32.36   32.42
      34.67   34.73
   
        386.76340170 
        386.78836455 
        386.77172265 
   
  
  
      40.43   40.48
      41.78   41.83
   
       -265.29832508 
       -265.31984218 
       -265.30549745 
   
  
  
      41.48   41.55
      43.24   43.31
   
         73.41421568 
         73.41403072 
         73.41415402 
   
  
  
      36.64   36.69
      38.76   38.81
   
        362.30852321 
        362.28456478 
        362.30053707 
   
  
  
      34.75   34.79
      36.64   36.68
   
        352.69068054 
        352.72102159 
        352.70079422 
   
  
  
      33.39   33.44
      34.96   35.02
   
        404.59070592 
        404.56055357 
        404.58065513 
   
  
  
      33.28   33.32
      34.89   34.94
   
        427.84504929 
        427.82773599 
        427.83927819 
   
  
  
      33.79   33.85
      35.62   35.68
   
        361.56733553 
        361.52930345 
        361.55465817 
   
  
  
      34.10   34.14
      35.54   35.58
   
        410.73749696 
        410.75722279 
        410.74407224 
   
  
  
      34.02   34.09
      35.69   35.75
   
        371.18312481 
        371.16547725 
        371.17724229 
   
  
  
      33.56   33.62
      35.22   35.28
   
        432.24168963 
        432.23324862 
        432.23887596 
   
  
  
      32.52   32.56
      34.36   34.41
   
        446.95400265 
        446.94392814 
        446.95064448 
   
  
  
      32.84   32.92
      34.63   34.70
   
        440.79247691 
        440.79708394 
        440.79401259 
   
  
  
      35.45   35.49
      36.94   36.98
   
        437.53121478 
        437.57336642 
        437.54526533 
   
  
  
      31.98   32.03
      33.89   33.94
   
        431.02423777 
        431.01867254 
        431.02238270 
   
  
  
      34.85   34.88
      36.33   36.36
   
        428.04271954 
        428.04185829 
        428.04243246 
   
  
  
      33.02   33.07
      34.67   34.72
   
        427.91784691 
        427.90096516 
        427.91221966 
   
  
  
      32.91   32.95
      34.50   34.54
   
        424.33484551 
        424.29974776 
        424.32314626 
   
  
  
      33.93   33.97
      35.42   35.45
   
        417.07660815 
        417.11552565 
        417.08958065 
   
  
  
      33.77   33.82
      35.47   35.52
   
        414.59952442 
        414.60417916 
        414.60107600 
   
  
  
      32.98   33.04
      34.53   34.60
   
        404.75964922 
        404.76469525 
        404.76133123 
   
  
  
      33.69   33.74
      35.14   35.20
   
        398.97069276 
        398.98836414 
        398.97658322 
   
  
  
      33.06   33.13
      34.54   34.61
   
        397.51636434 
        397.53905270 
        397.52392712 
   
  
  
      34.81   34.86
      36.32   36.37
   
        396.96485524 
        396.99087643 
        396.97352897 
   
  
  
      31.80   31.83
      33.21   33.25
   
        396.19424786 
        396.21830805 
        396.20226792 
   
  
  
      33.53   33.58
      35.16   35.21
   
        394.34299398 
        394.36666743 
        394.35088513 
   
  
  
      34.46   34.51
      35.85   35.91
   
        393.00197572 
        393.03467217 
        393.01287454 
   
  
  
      29.45   29.49
      30.99   31.02
   
        391.75505515 
        391.77037686 
        391.76016239 
   
  
  
      29.63   29.68
      31.48   31.52
   
        387.75458061 
        387.76850175 
        387.75922099 
   
  
  
      29.13   29.18
      30.65   30.70
   
        384.37681357 
        384.35532353 
        384.36965022 
   
  
  
      28.79   28.81
      30.40   30.42
   
        384.53860057 
        384.51718843 
        384.53146319 
   
  
  
      30.27   30.33
      31.90   31.96
   
        383.30967187 
        383.30323088 
        383.30752487 
   
  
  
      29.91   29.96
      31.75   31.79
   
        381.76890576 
        381.78155404 
        381.77312185 
   
  
  
      28.95   29.01
      30.81   30.86
   
        378.43405963 
        378.44523907 
        378.43778611 
   
  
  
      29.27   29.31
      30.88   30.92
   
        376.54198554 
        376.54783997 
        376.54393702 
   
  
  
      28.01   28.05
      29.55   29.59
   
        376.01208291 
        376.00454903 
        376.00957162