vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 18 
  19:47:31 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.99000000      0.32000000      0.75000000
       -0.00300000      0.00000000     -0.00100000      0.00100000      0.00000000      0.01700000      0.06100000      0.01500000     -0.00100000      0.00600000      0.00100000      0.00100000      0.00100000      0.00000000     -0.00300000      0.00000000      0.01800000      0.01000000      0.00400000      0.00000000
     -0.00400000     -0.00100000      0.00100000      0.17200000      0.01700000      0.00000000      0.01700000     -0.04100000      0.00600000      0.00000000      0.00000000      0.00100000      0.00000000     -0.00100000     -0.00800000      0.02300000      0.00100000      0.00400000      0.00000000      0.00000000
      0.00000000     -0.00100000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00200000      0.00100000      0.00600000     -0.00100000      0.01400000      0.00100000     -0.00200000      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10600000      0.00400000
  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 
    
   
   
           0.02132946       0.46245163       0.07373531 
           0.01173159       0.54353874       0.43224689 
           0.27353979       0.46468826       0.19109875 
           0.26506735       0.54200445       0.31093980 
           0.00635044       0.23882474       0.43130394 
           0.25635044       0.23882474       0.31631854 
           0.00635044       0.31174210       0.06192108 
           0.25635044       0.31174210       0.18570140 
           0.00635044       0.38824623       0.43553353 
           0.25635044       0.38824623       0.31208895 
           0.01251794       0.46626581       0.55641342 
           0.01970077       0.54152614       0.95788172 
           0.25855645       0.46979221       0.69021703 
           0.24194716       0.55105692       0.81522700 
           0.25635044       0.23882474       0.81631854 
           0.00635044       0.31174210       0.56192108 
           0.25635044       0.31174210       0.68570140 
           0.00635044       0.38824623       0.93553353 
           0.25635044       0.38824623       0.81208895 
           0.51416679       0.46830543       0.05258130 
           0.51800777       0.54383542       0.43322473 
           0.75744822       0.46349582       0.19053622 
           0.76525444       0.54063701       0.30519495 
           0.50635044       0.23882474       0.43130394 
           0.75635044       0.23882474       0.31631854 
           0.50635044       0.31174210       0.06192108 
           0.75635044       0.31174210       0.18570140 
           0.50635044       0.38824623       0.43553353 
           0.75635044       0.38824623       0.31208895 
           0.50761025       0.46668050       0.55994387 
           0.49132075       0.55408542       0.94006092 
           0.76200060       0.46580962       0.67957435 
           0.75838064       0.53143643       0.84227394 
           0.50635044       0.23882474       0.93130394 
           0.75635044       0.23882474       0.81631854 
           0.75635044       0.31174210       0.68570140 
           0.50635044       0.38824623       0.93553353 
           0.75635044       0.38824623       0.81208895 
           0.10340260       0.66783687       0.78836395 
           0.52284433       0.66751410       0.47922014 
           0.18237214       0.61159041       0.74163066 
           0.52333610       0.60583781       0.50575412 
           0.00174009       0.59961558       0.51754668 
           0.27370116       0.59975218       0.22256643 
           0.03287634       0.59465048       0.05437265 
           0.77055189       0.59285844       0.20529610 
           0.51146481       0.60603920       0.03791987 
           0.71259585       0.47648143       0.93283641 
           0.98999676       0.18503162       0.52875319 
           0.24591635       0.18507737       0.21806994 
           0.18651736       0.17887110       0.78777815 
           0.78890463       0.18418770       0.22738764 
           0.51494166       0.18627576       0.02890817 
           0.82281793       0.18238461       0.75137038 
           0.25934234       0.70255940       0.91740168 
           0.70673566       0.69389813       0.35943192 
           0.85318051       0.66536749       0.85291986 
           0.53053852       0.70917060       0.63756923 
           0.08252842       0.71981784       0.64172047 
           0.07375489       0.59937596       0.59271026 
           0.17636179       0.59876520       0.15729751 
           0.92734094       0.59664978       0.11141497 
           0.67075266       0.59770027       0.14644445 
           0.41879350       0.60655562       0.10325119 
           0.81528207       0.45220689       0.94505802 
           0.20692241       0.67775597       0.45607967 
           0.29181310       0.65808125       0.32265489 
           0.00070457       0.15071609       0.48897213 
           0.12716098       0.17669968       0.19087246 
           0.06023624       0.17408369       0.77207108 
           0.70488092       0.17995710       0.15890558 
           0.41444769       0.18280998       0.08612532 
           0.86011103       0.18438884       0.66288356 
           0.30300874       0.72301659       0.36458492 
           0.31171580       0.68435141       0.39720163 
   
  
  
           1 
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          28 
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          30 
          31 
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          35 
          36 
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          38 
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          41 
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          44 
          45 
          46 
          47 
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          49 
          50 
          51 
          52 
          53 
          54 
          55 
          56 
          57 
          58 
          59 
          60 
          61 
          62 
          63 
          64 
          65 
          66 
          67 
          68 
          69 
          70 
          71 
          72 
          73 
          74 
          75 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       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 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       627.11200000
         0.00001000
       38
       10
      189
       -1
       -1
       299.00000000
        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
   
   
         2
     F  
         -0.00300000      0.00000000     -0.00100000      0.00100000      0.00000000      0.01700000      0.06100000      0.01500000     -0.00100000      0.00600000      0.00100000      0.00100000      0.00100000      0.00000000     -0.00300000      0.00000000      0.01800000      0.01000000      0.00400000      0.00000000
     -0.00400000     -0.00100000      0.00100000      0.17200000      0.01700000      0.00000000      0.01700000     -0.04100000      0.00600000      0.00000000      0.00000000      0.00100000      0.00000000     -0.00100000     -0.00800000      0.02300000      0.00100000      0.00400000      0.00000000      0.00000000
      0.00000000     -0.00100000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00200000      0.00100000      0.00600000     -0.00100000      0.01400000      0.00100000     -0.00200000      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10600000      0.00400000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       200
        -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      0.75000000
      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     14.00100000
         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
    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
      200
        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 
         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
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    Cl   3
    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
    N    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      40Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      14O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       5Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
      15H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
           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 
   
  
  
          0.02132946       0.46245163       0.07373531 
          0.01173159       0.54353874       0.43224689 
          0.27353979       0.46468826       0.19109875 
          0.26506735       0.54200445       0.31093980 
          0.00635044       0.23882474       0.43130394 
          0.25635044       0.23882474       0.31631854 
          0.00635044       0.31174210       0.06192108 
          0.25635044       0.31174210       0.18570140 
          0.00635044       0.38824623       0.43553353 
          0.25635044       0.38824623       0.31208895 
          0.01251794       0.46626581       0.55641342 
          0.01970077       0.54152614       0.95788172 
          0.25855645       0.46979221       0.69021703 
          0.24194716       0.55105692       0.81522700 
          0.25635044       0.23882474       0.81631854 
          0.00635044       0.31174210       0.56192108 
          0.25635044       0.31174210       0.68570140 
          0.00635044       0.38824623       0.93553353 
          0.25635044       0.38824623       0.81208895 
          0.51416679       0.46830543       0.05258130 
          0.51800777       0.54383542       0.43322473 
          0.75744822       0.46349582       0.19053622 
          0.76525444       0.54063701       0.30519495 
          0.50635044       0.23882474       0.43130394 
          0.75635044       0.23882474       0.31631854 
          0.50635044       0.31174210       0.06192108 
          0.75635044       0.31174210       0.18570140 
          0.50635044       0.38824623       0.43553353 
          0.75635044       0.38824623       0.31208895 
          0.50761025       0.46668050       0.55994387 
          0.49132075       0.55408542       0.94006092 
          0.76200060       0.46580962       0.67957435 
          0.75838064       0.53143643       0.84227394 
          0.50635044       0.23882474       0.93130394 
          0.75635044       0.23882474       0.81631854 
          0.75635044       0.31174210       0.68570140 
          0.50635044       0.38824623       0.93553353 
          0.75635044       0.38824623       0.81208895 
          0.10340260       0.66783687       0.78836395 
          0.52284433       0.66751410       0.47922014 
          0.18237214       0.61159041       0.74163066 
          0.52333610       0.60583781       0.50575412 
          0.00174009       0.59961558       0.51754668 
          0.27370116       0.59975218       0.22256643 
          0.03287634       0.59465048       0.05437265 
          0.77055189       0.59285844       0.20529610 
          0.51146481       0.60603920       0.03791987 
          0.71259585       0.47648143       0.93283641 
          0.98999676       0.18503162       0.52875319 
          0.24591635       0.18507737       0.21806994 
          0.18651736       0.17887110       0.78777815 
          0.78890463       0.18418770       0.22738764 
          0.51494166       0.18627576       0.02890817 
          0.82281793       0.18238461       0.75137038 
          0.25934234       0.70255940       0.91740168 
          0.70673566       0.69389813       0.35943192 
          0.85318051       0.66536749       0.85291986 
          0.53053852       0.70917060       0.63756923 
          0.08252842       0.71981784       0.64172047 
          0.07375489       0.59937596       0.59271026 
          0.17636179       0.59876520       0.15729751 
          0.92734094       0.59664978       0.11141497 
          0.67075266       0.59770027       0.14644445 
          0.41879350       0.60655562       0.10325119 
          0.81528207       0.45220689       0.94505802 
          0.20692241       0.67775597       0.45607967 
          0.29181310       0.65808125       0.32265489 
          0.00070457       0.15071609       0.48897213 
          0.12716098       0.17669968       0.19087246 
          0.06023624       0.17408369       0.77207108 
          0.70488092       0.17995710       0.15890558 
          0.41444769       0.18280998       0.08612532 
          0.86011103       0.18438884       0.66288356 
          0.30300874       0.72301659       0.36458492 
          0.31171580       0.68435141       0.39720163 
  
  
     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 
  
 
 
  
      24.14   24.19
      26.04   26.08
   
        123.65170997 
      23368.20636502 
     -34849.40061180 
        173.57076200 
      10239.95902789 
      -9563.30171726 
          0.00335959 
       -366.11703579 
      12674.55391393 
       1801.12577356 
       1801.12241397 
       1801.12465369 
   
  
  
      30.66   30.68
      30.66   30.68
   
       -120.24789662 
       -120.29270371 
       -120.26283232 
   
  
  
      27.40   27.42
      27.40   27.42
   
       -408.93182097 
       -408.97831886 
       -408.94732027 
   
  
  
      28.92   28.96
      28.93   28.97
   
       -422.11772427 
       -422.16803829 
       -422.13449561 
   
  
  
      30.19   30.23
      30.51   30.56
   
       -422.59923322 
       -422.64966851 
       -422.61604499 
   
  
  
      28.82   28.85
      30.45   30.49
   
       -396.90644058 
       -396.97062730 
       -396.92783615 
   
  
  
      26.79   26.84
      28.41   28.46
   
       -396.60027652 
       -396.66498900 
       -396.62184735 
   
  
  
      29.79   29.84
      31.45   31.51
   
       -395.92014661 
       -395.97969108 
       -395.93999477 
   
  
  
      28.36   28.42
      29.95   30.00
   
       -395.74722179 
       -395.80072335 
       -395.76505564 
   
  
  
      28.45   28.49
      29.81   29.85
   
       -395.74396416 
       -395.79464692 
       -395.76085842 
   
  
  
      27.93   27.99
      29.27   29.33
   
       -395.73941508 
       -395.78901611 
       -395.75594875 
   
  
  
      30.46   30.51
      31.83   31.88
   
       -395.73163953 
       -395.78063729 
       -395.74797212 
   
  
  
      27.88   27.92
      29.46   29.51
   
       -395.72710696 
       -395.77500733 
       -395.74307375 
   
  
  
      29.07   29.13
      30.73   30.78
   
       -395.72707844 
       -395.77453984 
       -395.74289891 
   
  
  
      27.89   27.93
      29.40   29.44
   
       -395.72764884 
       -395.77517824 
       -395.74349198 
   
  
  
      27.65   27.70
      29.04   29.09
   
       -395.72851097 
       -395.77586275 
       -395.74429489 
   
  
  
      27.87   27.93
      29.75   29.80
   
       -395.73014200 
       -395.77777115 
       -395.74601838 
   
  
  
      28.06   28.11
      29.98   30.03
   
       -395.73105713 
       -395.77892258 
       -395.74701228 
   
  
  
      27.39   27.44
      29.10   29.15
   
       -395.73198412 
       -395.78023640 
       -395.74806821 
   
  
  
      27.17   27.23
      29.12   29.17
   
       -395.73328360 
       -395.78236144 
       -395.74964288 
   
  
  
      27.74   27.77
      29.19   29.23
   
       -395.73379177 
       -395.78355816 
       -395.75038057 
   
  
  
      27.08   27.12
      28.43   28.47
   
       -395.73409296 
       -395.78484852 
       -395.75101148 
   
  
  
      28.28   28.34
      29.65   29.71
   
       -395.73416806 
       -395.78553513 
       -395.75129041