vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 13 
  16:13:07 
 
 
  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      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 
    
   
   
           0.35654240       0.47912407       0.12917092 
           0.92706461       0.62189972       0.42678175 
           0.75485524       0.47353500       0.26771826 
           0.42305867       0.58088710       0.36668377 
           0.00090721       0.23735711       0.43232288 
           0.25090721       0.23735711       0.31733748 
           0.00090721       0.31027447       0.06294002 
           0.25090721       0.31027447       0.18672034 
           0.00090721       0.38677860       0.43655247 
           0.25090721       0.38677860       0.31310789 
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           0.04745196       0.57025938       0.99336797 
           0.18172348       0.50887785       0.78586620 
           0.12630200       0.63763452       0.74636120 
           0.25090721       0.23735711       0.81733748 
           0.00090721       0.31027447       0.56294002 
           0.25090721       0.31027447       0.68672034 
           0.00090721       0.38677860       0.93655247 
           0.25090721       0.38677860       0.81310789 
           0.88456342       0.52828033       0.74353989 
           0.92593809       0.78330546       0.97106690 
           0.88281173       0.47970378       0.19962474 
           0.91346406       0.53823810       0.23538427 
           0.50090721       0.23735711       0.43232288 
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           0.75090721       0.38677860       0.31310789 
           0.45669514       0.43525412       0.69076555 
           0.39206446       0.62288401       0.80520444 
           0.87453272       0.51507366       0.69369831 
           0.70799787       0.59043743       0.82853360 
           0.50090721       0.23735711       0.93232288 
           0.75090721       0.23735711       0.81733748 
           0.75090721       0.31027447       0.68672034 
           0.50090721       0.38677860       0.93655247 
           0.75090721       0.38677860       0.81310789 
           0.02078307       0.69696131       0.77782791 
           0.92969896       0.54165353       0.77970785 
           0.11260714       0.70990002       0.56818721 
           0.66407050       0.63657411       0.53358393 
           0.66846834       0.64689821       0.97494706 
           0.38180293       0.46834701       0.73201549 
           0.02044535       0.62719490       0.15365722 
           0.77111590       0.52764584       0.94566682 
           0.60108126       0.60817200       0.13527260 
           0.70634766       0.54101364       0.01545831 
           0.08488242       0.16602536       0.53558017 
           0.36066587       0.23171904       0.05684833 
           0.12616534       0.16913734       0.01463417 
           0.61538518       0.19224837       0.13261429 
           0.86301869       0.24176744       0.17398056 
           0.88557192       0.18792765       0.77518132 
           0.31765004       0.66413112       0.01154957 
           0.00216707       0.50303667       0.47967841 
           0.87641201       0.61070495       0.84932001 
           0.18848913       0.51138465       0.16177562 
           0.68732368       0.75728090       0.58692916 
           0.19624416       0.73289250       0.31816793 
           0.27214098       0.55897237       0.06573544 
           0.88047413       0.62801188       0.07627131 
           0.75534318       0.65693299       0.17320786 
           0.50410554       0.63418140       0.07664887 
           0.67137532       0.45192567       0.93619830 
           0.76865906       0.60573570       0.46236374 
           0.09229722       0.62615085       0.47937076 
           0.12006629       0.14713080       0.51843391 
           0.36823095       0.15815496       0.27780239 
           0.22946589       0.16640660       0.76536816 
           0.57485199       0.19738421       0.04352348 
           0.47851242       0.15677542       0.08561436 
           0.89356221       0.18898906       0.79363836 
           0.01428357       0.87935828       0.36481055 
           0.75466332       0.87228914       0.10099249 
   
  
  
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          51 
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          54 
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          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
       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  
   
   
        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      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
       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 
         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 
   
  
  
          0.35654240       0.47912407       0.12917092 
          0.92706461       0.62189972       0.42678175 
          0.75485524       0.47353500       0.26771826 
          0.42305867       0.58088710       0.36668377 
          0.00090721       0.23735711       0.43232288 
          0.25090721       0.23735711       0.31733748 
          0.00090721       0.31027447       0.06294002 
          0.25090721       0.31027447       0.18672034 
          0.00090721       0.38677860       0.43655247 
          0.25090721       0.38677860       0.31310789 
          0.08740495       0.52698679       0.43719764 
          0.04745196       0.57025938       0.99336797 
          0.18172348       0.50887785       0.78586620 
          0.12630200       0.63763452       0.74636120 
          0.25090721       0.23735711       0.81733748 
          0.00090721       0.31027447       0.56294002 
          0.25090721       0.31027447       0.68672034 
          0.00090721       0.38677860       0.93655247 
          0.25090721       0.38677860       0.81310789 
          0.88456342       0.52828033       0.74353989 
          0.92593809       0.78330546       0.97106690 
          0.88281173       0.47970378       0.19962474 
          0.91346406       0.53823810       0.23538427 
          0.50090721       0.23735711       0.43232288 
          0.75090721       0.23735711       0.31733748 
          0.50090721       0.31027447       0.06294002 
          0.75090721       0.31027447       0.18672034 
          0.50090721       0.38677860       0.43655247 
          0.75090721       0.38677860       0.31310789 
          0.45669514       0.43525412       0.69076555 
          0.39206446       0.62288401       0.80520444 
          0.87453272       0.51507366       0.69369831 
          0.70799787       0.59043743       0.82853360 
          0.50090721       0.23735711       0.93232288 
          0.75090721       0.23735711       0.81733748 
          0.75090721       0.31027447       0.68672034 
          0.50090721       0.38677860       0.93655247 
          0.75090721       0.38677860       0.81310789 
          0.02078307       0.69696131       0.77782791 
          0.92969896       0.54165353       0.77970785 
          0.11260714       0.70990002       0.56818721 
          0.66407050       0.63657411       0.53358393 
          0.66846834       0.64689821       0.97494706 
          0.38180293       0.46834701       0.73201549 
          0.02044535       0.62719490       0.15365722 
          0.77111590       0.52764584       0.94566682 
          0.60108126       0.60817200       0.13527260 
          0.70634766       0.54101364       0.01545831 
          0.08488242       0.16602536       0.53558017 
          0.36066587       0.23171904       0.05684833 
          0.12616534       0.16913734       0.01463417 
          0.61538518       0.19224837       0.13261429 
          0.86301869       0.24176744       0.17398056 
          0.88557192       0.18792765       0.77518132 
          0.31765004       0.66413112       0.01154957 
          0.00216707       0.50303667       0.47967841 
          0.87641201       0.61070495       0.84932001 
          0.18848913       0.51138465       0.16177562 
          0.68732368       0.75728090       0.58692916 
          0.19624416       0.73289250       0.31816793 
          0.27214098       0.55897237       0.06573544 
          0.88047413       0.62801188       0.07627131 
          0.75534318       0.65693299       0.17320786 
          0.50410554       0.63418140       0.07664887 
          0.67137532       0.45192567       0.93619830 
          0.76865906       0.60573570       0.46236374 
          0.09229722       0.62615085       0.47937076 
          0.12006629       0.14713080       0.51843391 
          0.36823095       0.15815496       0.27780239 
          0.22946589       0.16640660       0.76536816 
          0.57485199       0.19738421       0.04352348 
          0.47851242       0.15677542       0.08561436 
          0.89356221       0.18898906       0.79363836 
          0.01428357       0.87935828       0.36481055 
          0.75466332       0.87228914       0.10099249 
  
  
     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 
  
 
 
  
      26.16   26.19
      30.74   30.76
   
        123.65170997 
      23135.10117311 
     -33688.61303073 
        165.15929358 
      10239.95902789 
      -9563.30171726 
          0.01677320 
       -417.12389917 
      12674.55391393 
       2669.40324452 
       2669.38647132 
       2669.39765345 
   
  
  
      32.65   32.67
      32.66   32.67
   
        732.28760372 
        732.29364829 
        732.28961857 
   
  
  
      33.82   33.84
      33.83   33.85
   
        360.40971527 
        360.33706287 
        360.38549780 
   
  
  
      35.26   35.28
      35.27   35.29
   
        334.08101887 
        333.98237303 
        334.04813692 
   
  
  
      35.43   35.45
      35.72   35.74
   
        332.86002944 
        332.76864751 
        332.82956880 
   
  
  
      37.16   37.19
      38.74   38.77
   
        374.42392738 
        374.51282412 
        374.45355963 
   
  
  
      35.84   35.86
      37.40   37.42
   
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      39.25   39.29
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        473.52778186 
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      32.36   32.41
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        407.69438991 
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      31.67   31.71
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        395.01157720 
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      35.09   35.12
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        382.60766505 
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      31.95   31.99
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      31.14   31.22
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        381.77688085 
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      28.41   28.47
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        380.85557931 
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      32.75   32.79
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        175.33956691 
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      26.93   26.97
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        139.74115543 
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      42.62   42.66
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     -64883.91105598 
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      26.68   26.74
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      33.24   33.30
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      35.29   35.35
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      36.35   36.43
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      38.38   38.42
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      37.24   37.26
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