vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 12 
  20:59:39 
 
 
  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 
    
   
   
           0.01608115       0.96989450       0.55567376 
           0.96816760       0.37141630       0.18968451 
           0.13580381       0.46237983       0.57371767 
           0.94331672       0.53080356       0.26740299 
           0.00085129       0.23760773       0.43277188 
           0.25085129       0.23760773       0.31778648 
           0.00085129       0.31052509       0.06338902 
           0.25085129       0.31052509       0.18716934 
           0.00085129       0.38702922       0.43700147 
           0.25085129       0.38702922       0.31355689 
           0.07952429       0.77218855       0.73027984 
           0.27546518       0.64848919       0.00308471 
           0.17580188       0.41189144       0.27098533 
           0.19316813       0.74726298       0.30836983 
           0.25085129       0.23760773       0.81778648 
           0.00085129       0.31052509       0.56338902 
           0.25085129       0.31052509       0.68716934 
           0.00085129       0.38702922       0.93700147 
           0.25085129       0.38702922       0.81355689 
           0.07904748       0.70984495       0.60265832 
           0.30427382       0.99644992       0.49725181 
           0.36238957       0.12446574       0.26989776 
           0.46155076       0.14028858       0.50597746 
           0.50085129       0.23760773       0.43277188 
           0.75085129       0.23760773       0.31778648 
           0.50085129       0.31052509       0.06338902 
           0.75085129       0.31052509       0.18716934 
           0.50085129       0.38702922       0.43700147 
           0.75085129       0.38702922       0.31355689 
           0.85175704       0.46814073       0.90952535 
           0.26450602       0.25041798       0.72387455 
           0.24612006       0.73846770       0.31989165 
           0.55720450       0.36525689       0.42546100 
           0.50085129       0.23760773       0.93277188 
           0.75085129       0.23760773       0.81778648 
           0.75085129       0.31052509       0.68716934 
           0.50085129       0.38702922       0.93700147 
           0.75085129       0.38702922       0.81355689 
           0.34838843       0.02014482       0.88819504 
           0.65690974       0.77385305       0.00799151 
           0.75764046       0.09627042       0.70951582 
           0.75124279       0.54286926       0.63944724 
           0.82708338       0.38594135       0.04863525 
           0.96138823       0.01212723       0.31827847 
           0.19242043       0.26082495       0.71282502 
           0.49169829       0.88419042       0.63035620 
           0.02573516       0.75378559       0.45868011 
           0.62555947       0.23945595       0.76783538 
           0.72284199       0.96338981       0.64895183 
           0.90588206       0.62550730       0.95242179 
           0.59283197       0.78276196       0.84050100 
           0.52741228       0.67382892       0.32533695 
           0.75080481       0.76474039       0.12363781 
           0.65736588       0.79316008       0.07891303 
           0.09474096       0.71104186       0.97761195 
           0.79648502       0.65104691       0.28895113 
           0.16358221       0.23972210       0.56954973 
           0.66971952       0.22821939       0.01771028 
           0.83617864       0.81645262       0.57591475 
           0.44525611       0.19887425       0.72776032 
           0.73853689       0.81691022       0.30996562 
           0.08588047       0.93919150       0.36708030 
           0.74404626       0.72664253       0.87146716 
           0.13289135       0.71536227       0.87508420 
           0.16495666       0.56676700       0.00127879 
           0.51961384       0.96070514       0.91918748 
           0.93527946       0.47550533       0.54213281 
           0.02842262       0.34534823       0.25753795 
           0.20921623       0.95006607       0.63167157 
           0.55034430       0.54608409       0.23946213 
           0.65348925       0.13242941       0.80215035 
           0.69145524       0.58460852       0.91173348 
           0.03345980       0.64993598       0.67090848 
           0.64782647       0.83020583       0.22563721 
           0.39453657       0.74975288       0.84711982 
   
  
  
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          49 
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          54 
          55 
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          58 
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          61 
          62 
          63 
          64 
          65 
          66 
          67 
          68 
          69 
          70 
          71 
          72 
          73 
          74 
          75 
  
 
 
  
          3        1        2 
         0.00000000       0.00000000       0.00000000 
         0.33333333       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.33333333       0.00000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.33333333       0.00000000       0.50000000 
  
  
          0.16666667 
          0.33333333 
          0.16666667 
          0.33333333 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       605.39200000
         0.00001000
       38
       10
      225
       -1
       -1
       294.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
          1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000001
           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
          1.60000000
          1.00000000
    
          4
      F  
        -45
         100.00000000
          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       40
      126
       54
       80
      252
      108
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.73000000      0.99000000      0.32000000
      301
        10.00000000
       -10.00000000
         0.00000000
  
  
        1
    F  
    F  
    F  
    F  
    F  
    F  
    F  
    F  
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000     35.45300000      1.00000000
         0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      1.00000000      1.00000000
    T  
  
   T  
   F  
       0
   F  
       0
  
   --
        1
    F  
   
    F  
    F  
    F  
    F  
    F  
        -1.00000000
        0
        0
         0.00000000
         0.00000000
         0.00000000
         1.00000000
         1.00000000
         1.00000000
         1.00000000
        1
        1
        1
    F  
    F  
    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        16.82612089
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
    F  
         0.00000000      0.00000000      0.00000000
    T  
    F  
    F  
    F  
    T  
        0
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000
  
  
    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
        -2.00000000
        -2.00000000
        -1.00000000
    F  
       -1
         0.00000000
        0
        0
       -1
       -1
       -1
       60
        1
        3
        4
        0
       -30.00000000
       -30.00000000
      -200.00000000
        0
        -0.10000000
    F  
    F  
    F  
    F  
    F  
    F  
    F  
        1
        1
        1
     2800
        0
       -1
       -1
         0.80000001
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
        75 
         4 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    Cl   3
    Cl   3
    Cl   3
    Cl   3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      40Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      15O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       4Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
      16H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      25.32620000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      2103.26511137 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.03948480       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.01608115       0.96989450       0.55567376 
          0.96816760       0.37141630       0.18968451 
          0.13580381       0.46237983       0.57371767 
          0.94331672       0.53080356       0.26740299 
          0.00085129       0.23760773       0.43277188 
          0.25085129       0.23760773       0.31778648 
          0.00085129       0.31052509       0.06338902 
          0.25085129       0.31052509       0.18716934 
          0.00085129       0.38702922       0.43700147 
          0.25085129       0.38702922       0.31355689 
          0.07952429       0.77218855       0.73027984 
          0.27546518       0.64848919       0.00308471 
          0.17580188       0.41189144       0.27098533 
          0.19316813       0.74726298       0.30836983 
          0.25085129       0.23760773       0.81778648 
          0.00085129       0.31052509       0.56338902 
          0.25085129       0.31052509       0.68716934 
          0.00085129       0.38702922       0.93700147 
          0.25085129       0.38702922       0.81355689 
          0.07904748       0.70984495       0.60265832 
          0.30427382       0.99644992       0.49725181 
          0.36238957       0.12446574       0.26989776 
          0.46155076       0.14028858       0.50597746 
          0.50085129       0.23760773       0.43277188 
          0.75085129       0.23760773       0.31778648 
          0.50085129       0.31052509       0.06338902 
          0.75085129       0.31052509       0.18716934 
          0.50085129       0.38702922       0.43700147 
          0.75085129       0.38702922       0.31355689 
          0.85175704       0.46814073       0.90952535 
          0.26450602       0.25041798       0.72387455 
          0.24612006       0.73846770       0.31989165 
          0.55720450       0.36525689       0.42546100 
          0.50085129       0.23760773       0.93277188 
          0.75085129       0.23760773       0.81778648 
          0.75085129       0.31052509       0.68716934 
          0.50085129       0.38702922       0.93700147 
          0.75085129       0.38702922       0.81355689 
          0.34838843       0.02014482       0.88819504 
          0.65690974       0.77385305       0.00799151 
          0.75764046       0.09627042       0.70951582 
          0.75124279       0.54286926       0.63944724 
          0.82708338       0.38594135       0.04863525 
          0.96138823       0.01212723       0.31827847 
          0.19242043       0.26082495       0.71282502 
          0.49169829       0.88419042       0.63035620 
          0.02573516       0.75378559       0.45868011 
          0.62555947       0.23945595       0.76783538 
          0.72284199       0.96338981       0.64895183 
          0.90588206       0.62550730       0.95242179 
          0.59283197       0.78276196       0.84050100 
          0.52741228       0.67382892       0.32533695 
          0.75080481       0.76474039       0.12363781 
          0.65736588       0.79316008       0.07891303 
          0.09474096       0.71104186       0.97761195 
          0.79648502       0.65104691       0.28895113 
          0.16358221       0.23972210       0.56954973 
          0.66971952       0.22821939       0.01771028 
          0.83617864       0.81645262       0.57591475 
          0.44525611       0.19887425       0.72776032 
          0.73853689       0.81691022       0.30996562 
          0.08588047       0.93919150       0.36708030 
          0.74404626       0.72664253       0.87146716 
          0.13289135       0.71536227       0.87508420 
          0.16495666       0.56676700       0.00127879 
          0.51961384       0.96070514       0.91918748 
          0.93527946       0.47550533       0.54213281 
          0.02842262       0.34534823       0.25753795 
          0.20921623       0.95006607       0.63167157 
          0.55034430       0.54608409       0.23946213 
          0.65348925       0.13242941       0.80215035 
          0.69145524       0.58460852       0.91173348 
          0.03345980       0.64993598       0.67090848 
          0.64782647       0.83020583       0.22563721 
          0.39453657       0.74975288       0.84711982 
  
  
     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 
  
 
 
  
      28.79   28.81
      31.82   31.84
   
        117.93208328 
       2278.54128869 
     -12577.87990554 
        153.78687382 
      10046.92708312 
      -9370.43527668 
         -0.00488041 
       -630.18314312 
      12445.10377463 
       2463.78789777 
       2463.79277819 
       2463.78952458 
   
  
  
      37.01   37.02
      37.01   37.02
   
        704.40735039 
        704.39152514 
        704.40207531 
   
  
  
      35.08   35.12
      35.08   35.13
   
        405.53760367 
        405.52034368 
        405.53185034 
   
  
  
      38.36   38.42
      38.36   38.42
   
        388.43508348 
        388.43726407 
        388.43581035 
   
  
  
      39.64   39.70
      40.00   40.06
   
        387.95598029 
        387.96002350 
        387.95732802 
   
  
  
      33.69   33.73
      36.07   36.10
   
        468.21786167 
        468.16632719 
        468.20068351 
   
  
  
      48.15   48.20
      49.57   49.62
   
      -1528.45223637 
      -1528.46483345 
      -1528.45643540 
   
  
  
      37.74   37.80
      39.31   39.37
   
         -2.03048164 
         -2.03301675 
         -2.03132668 
   
  
  
      36.24   36.28
      37.73   37.78
   
        -93.04255392 
        -93.02145399 
        -93.03552061 
   
  
  
      39.20   39.26
      40.73   40.78
   
        542.73186797 
        542.75333299 
        542.73902298 
   
  
  
      35.33   35.38
      36.83   36.89
   
        516.15860464 
        516.16923953 
        516.16214960 
   
  
  
      35.09   35.13
      36.58   36.62
   
        569.52299047 
        569.51803982 
        569.52134025 
   
  
  
      35.89   35.95
      37.33   37.39
   
        567.63504138 
        567.61136985 
        567.62715087 
   
  
  
      33.83   33.88
      35.44   35.49
   
        580.98194180 
        580.95202923 
        580.97197095 
   
  
  
      35.56   35.60
      37.13   37.17
   
        578.89456998 
        578.95560546 
        578.91491514 
   
  
  
      35.24   35.29
      36.79   36.84
   
        565.46658365 
        565.48980232 
        565.47432321 
   
  
  
      35.04   35.09
      36.48   36.53
   
        569.20669995 
        569.16672150 
        569.19337380 
   
  
  
      32.78   32.84
      34.22   34.27
   
        571.18716496 
        571.16952300 
        571.18128431 
   
  
  
      35.46   35.50
      36.99   37.03
   
        573.37722228 
        573.39239210 
        573.38227889 
   
  
  
      34.11   34.15
      35.76   35.80
   
        539.89839751 
        539.93479264 
        539.91052922 
   
  
  
      34.78   34.81
      36.38   36.41
   
        534.50320995 
        534.50957051 
        534.50533013 
   
  
  
      33.74   33.79
      35.33   35.38
   
        545.54117744 
        545.56618487 
        545.54951325 
   
  
  
      32.08   32.13
      33.61   33.66
   
        547.35039142 
        547.39094707 
        547.36390997 
   
  
  
      31.47   31.51
      32.97   33.02
   
        550.00004073 
        549.97262513 
        549.99090220 
   
  
  
      35.87   35.93
      37.47   37.53
   
        550.26098308 
        550.27211413 
        550.26469343 
   
  
  
      33.41   33.46
      34.96   35.00
   
        548.41481005 
        548.48464981 
        548.43808997 
   
  
  
      30.99   31.03
      32.95   33.00
   
        549.44892511 
        549.49236041 
        549.46340354 
   
  
  
      31.83   31.88
      33.87   33.92
   
        549.40216603 
        549.43041804 
        549.41158337 
   
  
  
      33.61   33.66
      35.66   35.71
   
        549.98866738 
        550.00532733 
        549.99422070 
   
  
  
      31.21   31.26
      33.17   33.22
   
        550.03174385 
        550.09381608 
        550.05243459 
   
  
  
      32.66   32.73
      34.54   34.61
   
        550.21585976 
        550.26837976 
        550.23336643 
   
  
  
      31.01   31.04
      32.68   32.72
   
        549.00553376 
        549.04715823 
        549.01940858 
   
  
  
      27.89   27.97
      29.54   29.62
   
        548.79590820 
        548.82314036 
        548.80498559 
   
  
  
      28.89   28.94
      30.38   30.42
   
        547.70130638 
        547.69573353 
        547.69944876 
   
  
  
      28.55   28.61
      30.17   30.23
   
        547.36726119 
        547.36235534 
        547.36562590 
   
  
  
      30.49   30.53
      32.31   32.36
   
        546.13165516 
        546.12021176 
        546.12784069 
   
  
  
      28.59   28.66
      30.54   30.60
   
        543.83048155 
        543.83238397 
        543.83111569 
   
  
  
      28.80   28.85
      30.85   30.90
   
        543.38351296 
        543.36557036 
        543.37753210 
   
  
  
      28.49   28.55
      30.48   30.53
   
        542.33501710 
        542.29703582 
        542.32235667 
   
  
  
      30.50   30.57
      32.44   32.51
   
        540.43672018 
        540.37665800 
        540.41669945 
   
  
  
      27.74   27.80
      29.92   29.98
   
        539.17009825 
        539.10299158 
        539.14772936