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 
    
   
   
           0.02083076       0.46275935       0.07360944 
           0.01442526       0.54417816       0.43107493 
           0.27457348       0.46405778       0.18862233 
           0.26513877       0.54095315       0.30892085 
           0.00725765       0.23906935       0.43113411 
           0.25725765       0.23906935       0.31614871 
           0.00725765       0.31198671       0.06175125 
           0.25725765       0.31198671       0.18553157 
           0.00725765       0.38849084       0.43536370 
           0.25725765       0.38849084       0.31191912 
           0.01309824       0.46706311       0.55639849 
           0.02140258       0.54205322       0.95907008 
           0.25921985       0.47014764       0.69014061 
           0.24251510       0.55123342       0.81570679 
           0.25725765       0.23906935       0.81614871 
           0.00725765       0.31198671       0.56175125 
           0.25725765       0.31198671       0.68553157 
           0.00725765       0.38849084       0.93536370 
           0.25725765       0.38849084       0.81191912 
           0.51627780       0.46874963       0.05245369 
           0.51737791       0.54349751       0.43191257 
           0.75885519       0.46403229       0.19124209 
           0.76576410       0.54147360       0.30595901 
           0.50725765       0.23906935       0.43113411 
           0.75725765       0.23906935       0.31614871 
           0.50725765       0.31198671       0.06175125 
           0.75725765       0.31198671       0.18553157 
           0.50725765       0.38849084       0.43536370 
           0.75725765       0.38849084       0.31191912 
           0.50815795       0.46688870       0.55980764 
           0.49178766       0.55454863       0.94035537 
           0.76270815       0.46660201       0.67968522 
           0.75965269       0.53231295       0.84265790 
           0.50725765       0.23906935       0.93113411 
           0.75725765       0.23906935       0.81614871 
           0.75725765       0.31198671       0.68553157 
           0.50725765       0.38849084       0.93536370 
           0.75725765       0.38849084       0.81191912 
           0.10236292       0.66857883       0.78985092 
           0.51679669       0.66620168       0.47702935 
           0.17853781       0.61172437       0.74338396 
           0.52304909       0.60474198       0.50499474 
           0.02035213       0.60214240       0.51062096 
           0.27322840       0.60014504       0.22488026 
           0.03570040       0.59508383       0.05595089 
           0.77150483       0.59403058       0.20684819 
           0.51180271       0.60637146       0.03851416 
           0.71420821       0.47739132       0.93323003 
           0.99143573       0.18545380       0.52874720 
           0.24455465       0.18571379       0.21700267 
           0.18764977       0.17919194       0.78671059 
           0.79305821       0.18488356       0.22622925 
           0.51551648       0.18666996       0.02892341 
           0.82363346       0.18270197       0.75087474 
           0.25997798       0.70315274       0.91790903 
           0.68473522       0.69762397       0.35240357 
           0.85249476       0.66673921       0.85524625 
           0.52917805       0.71064041       0.63082800 
           0.08226345       0.72008531       0.64282929 
           0.07294118       0.59992319       0.59335224 
           0.17613850       0.60094435       0.15943670 
           0.92964547       0.59758208       0.11212215 
           0.67213658       0.59821621       0.14752887 
           0.41914969       0.60746379       0.10333211 
           0.81537203       0.45230458       0.94237656 
           0.19825241       0.66849074       0.45714290 
           0.29008247       0.65076497       0.32310695 
           0.00198173       0.15121930       0.48860025 
           0.12519213       0.17831378       0.18941698 
           0.06123433       0.17462573       0.77125451 
           0.70832010       0.18027038       0.15839910 
           0.41473920       0.18343129       0.08594623 
           0.86055133       0.18476222       0.66231740 
           0.28848795       0.71573496       0.36886564 
           0.30367193       0.67723336       0.39997731 
   
  
  
           1 
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          30 
          31 
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          34 
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          36 
          37 
          38 
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          40 
          41 
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          43 
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          45 
          46 
          47 
          48 
          49 
          50 
          51 
          52 
          53 
          54 
          55 
          56 
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          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 
   
  
  
          0.02083076       0.46275935       0.07360944 
          0.01442526       0.54417816       0.43107493 
          0.27457348       0.46405778       0.18862233 
          0.26513877       0.54095315       0.30892085 
          0.00725765       0.23906935       0.43113411 
          0.25725765       0.23906935       0.31614871 
          0.00725765       0.31198671       0.06175125 
          0.25725765       0.31198671       0.18553157 
          0.00725765       0.38849084       0.43536370 
          0.25725765       0.38849084       0.31191912 
          0.01309824       0.46706311       0.55639849 
          0.02140258       0.54205322       0.95907008 
          0.25921985       0.47014764       0.69014061 
          0.24251510       0.55123342       0.81570679 
          0.25725765       0.23906935       0.81614871 
          0.00725765       0.31198671       0.56175125 
          0.25725765       0.31198671       0.68553157 
          0.00725765       0.38849084       0.93536370 
          0.25725765       0.38849084       0.81191912 
          0.51627780       0.46874963       0.05245369 
          0.51737791       0.54349751       0.43191257 
          0.75885519       0.46403229       0.19124209 
          0.76576410       0.54147360       0.30595901 
          0.50725765       0.23906935       0.43113411 
          0.75725765       0.23906935       0.31614871 
          0.50725765       0.31198671       0.06175125 
          0.75725765       0.31198671       0.18553157 
          0.50725765       0.38849084       0.43536370 
          0.75725765       0.38849084       0.31191912 
          0.50815795       0.46688870       0.55980764 
          0.49178766       0.55454863       0.94035537 
          0.76270815       0.46660201       0.67968522 
          0.75965269       0.53231295       0.84265790 
          0.50725765       0.23906935       0.93113411 
          0.75725765       0.23906935       0.81614871 
          0.75725765       0.31198671       0.68553157 
          0.50725765       0.38849084       0.93536370 
          0.75725765       0.38849084       0.81191912 
          0.10236292       0.66857883       0.78985092 
          0.51679669       0.66620168       0.47702935 
          0.17853781       0.61172437       0.74338396 
          0.52304909       0.60474198       0.50499474 
          0.02035213       0.60214240       0.51062096 
          0.27322840       0.60014504       0.22488026 
          0.03570040       0.59508383       0.05595089 
          0.77150483       0.59403058       0.20684819 
          0.51180271       0.60637146       0.03851416 
          0.71420821       0.47739132       0.93323003 
          0.99143573       0.18545380       0.52874720 
          0.24455465       0.18571379       0.21700267 
          0.18764977       0.17919194       0.78671059 
          0.79305821       0.18488356       0.22622925 
          0.51551648       0.18666996       0.02892341 
          0.82363346       0.18270197       0.75087474 
          0.25997798       0.70315274       0.91790903 
          0.68473522       0.69762397       0.35240357 
          0.85249476       0.66673921       0.85524625 
          0.52917805       0.71064041       0.63082800 
          0.08226345       0.72008531       0.64282929 
          0.07294118       0.59992319       0.59335224 
          0.17613850       0.60094435       0.15943670 
          0.92964547       0.59758208       0.11212215 
          0.67213658       0.59821621       0.14752887 
          0.41914969       0.60746379       0.10333211 
          0.81537203       0.45230458       0.94237656 
          0.19825241       0.66849074       0.45714290 
          0.29008247       0.65076497       0.32310695 
          0.00198173       0.15121930       0.48860025 
          0.12519213       0.17831378       0.18941698 
          0.06123433       0.17462573       0.77125451 
          0.70832010       0.18027038       0.15839910 
          0.41473920       0.18343129       0.08594623 
          0.86055133       0.18476222       0.66231740 
          0.28848795       0.71573496       0.36886564 
          0.30367193       0.67723336       0.39997731 
  
  
     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 
  
 
 
  
      24.39   24.44
      26.24   26.29
   
        123.65170997 
      23448.43477371 
     -34927.64051927 
        173.79884900 
      10239.95902789 
      -9563.30171726 
         -0.00128904 
       -365.92166536 
      12674.55391393 
       1803.53308358 
       1803.53437262 
       1803.53351326 
   
  
  
      30.55   30.57
      30.55   30.57
   
       -120.07740209 
       -120.12507459 
       -120.09329292 
   
  
  
      27.53   27.55
      27.53   27.56
   
       -408.98826178 
       -409.03440835 
       -409.00364397 
   
  
  
      28.96   29.01
      28.96   29.01
   
       -422.04109630 
       -422.09006903 
       -422.05742054 
   
  
  
      30.15   30.22
      30.52   30.58
   
       -422.51425316 
       -422.56339272 
       -422.53063301 
   
  
  
      29.27   29.31
      31.02   31.05
   
       -396.94564610 
       -397.00933220 
       -396.96687480 
   
  
  
      26.65   26.72
      28.40   28.47
   
       -396.66976321 
       -396.73658071 
       -396.69203571 
   
  
  
      29.87   29.93
      31.73   31.79
   
       -396.02227124 
       -396.08511413 
       -396.04321887 
   
  
  
      28.50   28.54
      30.10   30.14
   
       -395.86892639 
       -395.92670627 
       -395.88818635 
   
  
  
      28.72   28.78
      30.34   30.39
   
       -395.86881153 
       -395.92408319 
       -395.88723542 
   
  
  
      28.20   28.24
      29.82   29.86
   
       -395.86575007 
       -395.92013212 
       -395.88387742 
   
  
  
      30.35   30.41
      31.92   31.99
   
       -395.85932094 
       -395.91317976 
       -395.87727388 
   
  
  
      28.04   28.10
      29.58   29.65
   
       -395.85607558 
       -395.90901031 
       -395.87372049 
   
  
  
      29.34   29.41
      31.05   31.12
   
       -395.85608674 
       -395.90862101 
       -395.87359816 
   
  
  
      27.91   27.96
      29.44   29.48
   
       -395.85660285 
       -395.90918789 
       -395.87413120 
   
  
  
      26.84   26.90
      28.50   28.56
   
       -395.85727633 
       -395.90966284 
       -395.87473850 
   
  
  
      27.63   27.66
      29.25   29.28
   
       -395.85879502 
       -395.91131880 
       -395.87630295 
   
  
  
      27.84   27.91
      29.41   29.48
   
       -395.85963186 
       -395.91227267 
       -395.87717880 
   
  
  
      27.30   27.34
      29.10   29.14
   
       -395.86046204 
       -395.91332322 
       -395.87808243 
   
  
  
      27.30   27.34
      28.98   29.02
   
       -395.86165860 
       -395.91497895 
       -395.87943205 
   
  
  
      27.98   28.02
      30.08   30.11
   
       -395.86223329 
       -395.91600197 
       -395.88015619 
   
  
  
      27.02   27.08
      28.83   28.88
   
       -395.86245972 
       -395.91683361 
       -395.88058435 
   
  
  
      27.72   27.78
      29.20   29.25
   
       -395.86248851 
       -395.91725562 
       -395.88074422