vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 14 
  23:16:43 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.99000000      0.32000000      0.72000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.76984869       0.00000000       0.00000000 
            0.13032753      24.44030431       0.00000000 
            0.04503821      -0.11094984      10.84033246 
    
       2058.55166937 
    
            0.12870264      -0.00068630      -0.00054174 
            0.00000000       0.04091602       0.00041877 
            0.00000000       0.00000000       0.09224809 
    
   
   
           0.01599085       0.46741056       0.07758068 
           0.99988870       0.54721729       0.44174501 
           0.26670258       0.46715598       0.19809982 
           0.25019976       0.54941352       0.31775843 
           0.00025855       0.23798173       0.43213484 
           0.25025855       0.23798173       0.31714944 
           0.00025855       0.31089909       0.06275198 
           0.25025855       0.31089909       0.18653230 
           0.00025855       0.38740322       0.43636443 
           0.25025855       0.38740322       0.31291985 
           0.00425261       0.46725817       0.56098650 
           0.00653416       0.54990004       0.95630528 
           0.25022761       0.47147234       0.69418924 
           0.24434282       0.55333052       0.82508766 
           0.25025855       0.23798173       0.81714944 
           0.00025855       0.31089909       0.56275198 
           0.25025855       0.31089909       0.68653230 
           0.00025855       0.38740322       0.93636443 
           0.25025855       0.38740322       0.81291985 
           0.50926053       0.46828203       0.06259829 
           0.50257759       0.55723715       0.44031306 
           0.75277291       0.46698078       0.19673173 
           0.75145624       0.54788955       0.31592981 
           0.50025855       0.23798173       0.43213484 
           0.75025855       0.23798173       0.31714944 
           0.50025855       0.31089909       0.06275198 
           0.75025855       0.31089909       0.18653230 
           0.50025855       0.38740322       0.43636443 
           0.75025855       0.38740322       0.31291985 
           0.49691458       0.47186888       0.56080189 
           0.48400155       0.55382522       0.95571839 
           0.75047900       0.46823245       0.68096275 
           0.74631125       0.53484207       0.84733952 
           0.50025855       0.23798173       0.93213484 
           0.75025855       0.23798173       0.81714944 
           0.75025855       0.31089909       0.68653230 
           0.50025855       0.38740322       0.93636443 
           0.75025855       0.38740322       0.81291985 
           0.20069861       0.67931237       0.77559332 
           0.56826394       0.68361429       0.47883222 
           0.23719688       0.61460832       0.75512692 
           0.52063817       0.62059183       0.51284097 
           0.99535209       0.59513497       0.55263560 
           0.25163045       0.60186818       0.21736382 
           0.00817023       0.60537487       0.05019769 
           0.75926724       0.60051030       0.21494668 
           0.50030131       0.60647373       0.05546413 
           0.71841626       0.47732619       0.93784820 
           0.26980595       0.70875464       0.64199792 
           0.00224862       0.18089713       0.52823157 
           0.25667857       0.17784650       0.24019955 
           0.24133659       0.17982912       0.73147249 
           0.51642139       0.19575877       0.54890232 
           0.73738481       0.18204434       0.22062804 
           0.48844889       0.18218490       0.02537164 
           0.80554441       0.17658343       0.76429300 
           0.36123225       0.70916754       0.90821046 
           0.42185512       0.71067667       0.33750297 
           0.95150584       0.69902262       0.81212832 
           0.82427512       0.69344444       0.43281864 
           0.93694908       0.62920582       0.52941635 
           0.15196263       0.60489696       0.15821082 
           0.90788680       0.60690670       0.11027404 
           0.65713108       0.60444143       0.15840545 
           0.40181735       0.60910916       0.11723470 
           0.82338308       0.45365019       0.94403636 
           0.02190691       0.14605429       0.48574032 
           0.32290144       0.17677508       0.16191595 
           0.14778479       0.17880042       0.66989447 
           0.42104161       0.18899046       0.60758087 
           0.76063465       0.14623458       0.25525578 
           0.58776920       0.17830603       0.08145246 
           0.85292836       0.17480938       0.68002634 
           0.56393599       0.72718988       0.59017931 
           0.13590003       0.74498112       0.58763616 
   
  
  
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          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 
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          0.33333333       0.00000000       0.50000000 
  
  
          0.16666667 
          0.33333333 
          0.16666667 
          0.33333333 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       613.61400000
         0.00001000
       38
       10
      195
       -1
       -1
       311.00000000
        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
   
   
         1
     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  
   
   
       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
      120
       54
       80
      240
      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      0.72000000
      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     18.99800000
         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
        16.46841335
         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
    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
    F    5
    F    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      40Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      16O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       4Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
      13H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       2F      18.99800000      7.00000000  PAW_PBE F 08Apr2002                   
   
  
 
 
  
   
           7.76984869       0.00000000       0.00000000 
           0.13032753      24.44030431       0.00000000 
           0.04503821      -0.11094984      10.84033246 
   
      2058.55166937 
   
           0.12870264      -0.00068630      -0.00054174 
           0.00000000       0.04091602       0.00041877 
           0.00000000       0.00000000       0.09224809 
   
  
  
          0.01599085       0.46741056       0.07758068 
          0.99988870       0.54721729       0.44174501 
          0.26670258       0.46715598       0.19809982 
          0.25019976       0.54941352       0.31775843 
          0.00025855       0.23798173       0.43213484 
          0.25025855       0.23798173       0.31714944 
          0.00025855       0.31089909       0.06275198 
          0.25025855       0.31089909       0.18653230 
          0.00025855       0.38740322       0.43636443 
          0.25025855       0.38740322       0.31291985 
          0.00425261       0.46725817       0.56098650 
          0.00653416       0.54990004       0.95630528 
          0.25022761       0.47147234       0.69418924 
          0.24434282       0.55333052       0.82508766 
          0.25025855       0.23798173       0.81714944 
          0.00025855       0.31089909       0.56275198 
          0.25025855       0.31089909       0.68653230 
          0.00025855       0.38740322       0.93636443 
          0.25025855       0.38740322       0.81291985 
          0.50926053       0.46828203       0.06259829 
          0.50257759       0.55723715       0.44031306 
          0.75277291       0.46698078       0.19673173 
          0.75145624       0.54788955       0.31592981 
          0.50025855       0.23798173       0.43213484 
          0.75025855       0.23798173       0.31714944 
          0.50025855       0.31089909       0.06275198 
          0.75025855       0.31089909       0.18653230 
          0.50025855       0.38740322       0.43636443 
          0.75025855       0.38740322       0.31291985 
          0.49691458       0.47186888       0.56080189 
          0.48400155       0.55382522       0.95571839 
          0.75047900       0.46823245       0.68096275 
          0.74631125       0.53484207       0.84733952 
          0.50025855       0.23798173       0.93213484 
          0.75025855       0.23798173       0.81714944 
          0.75025855       0.31089909       0.68653230 
          0.50025855       0.38740322       0.93636443 
          0.75025855       0.38740322       0.81291985 
          0.20069861       0.67931237       0.77559332 
          0.56826394       0.68361429       0.47883222 
          0.23719688       0.61460832       0.75512692 
          0.52063817       0.62059183       0.51284097 
          0.99535209       0.59513497       0.55263560 
          0.25163045       0.60186818       0.21736382 
          0.00817023       0.60537487       0.05019769 
          0.75926724       0.60051030       0.21494668 
          0.50030131       0.60647373       0.05546413 
          0.71841626       0.47732619       0.93784820 
          0.26980595       0.70875464       0.64199792 
          0.00224862       0.18089713       0.52823157 
          0.25667857       0.17784650       0.24019955 
          0.24133659       0.17982912       0.73147249 
          0.51642139       0.19575877       0.54890232 
          0.73738481       0.18204434       0.22062804 
          0.48844889       0.18218490       0.02537164 
          0.80554441       0.17658343       0.76429300 
          0.36123225       0.70916754       0.90821046 
          0.42185512       0.71067667       0.33750297 
          0.95150584       0.69902262       0.81212832 
          0.82427512       0.69344444       0.43281864 
          0.93694908       0.62920582       0.52941635 
          0.15196263       0.60489696       0.15821082 
          0.90788680       0.60690670       0.11027404 
          0.65713108       0.60444143       0.15840545 
          0.40181735       0.60910916       0.11723470 
          0.82338308       0.45365019       0.94403636 
          0.02190691       0.14605429       0.48574032 
          0.32290144       0.17677508       0.16191595 
          0.14778479       0.17880042       0.66989447 
          0.42104161       0.18899046       0.60758087 
          0.76063465       0.14623458       0.25525578 
          0.58776920       0.17830603       0.08145246 
          0.85292836       0.17480938       0.68002634 
          0.56393599       0.72718988       0.59017931 
          0.13590003       0.74498112       0.58763616 
  
  
     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 
  
 
 
  
      13.26   13.27
      13.75   13.75
   
        137.43675436 
      18599.32884397 
     -31486.77598106 
        257.78963876 
      11477.00382189 
     -10812.82478760 
         -0.01331697 
       -398.01802870 
      14158.83048887 
       1932.75743352 
       1932.77075049 
       1932.76187251 
   
  
  
      15.82   15.83
      15.82   15.83
   
       -107.17195686 
       -107.16820782 
       -107.17070718 
   
  
  
      14.57   14.58
      14.57   14.58
   
       -413.59792814 
       -413.58241615 
       -413.59275748 
   
  
  
      15.06   15.07
      15.06   15.07
   
       -426.60840146 
       -426.59330477 
       -426.60336923 
   
  
  
      15.63   15.63
      15.76   15.76
   
       -427.09851585 
       -427.08360531 
       -427.09354567 
   
  
  
      15.29   15.30
      15.88   15.89
   
       -399.86738523 
       -399.85441936 
       -399.86306328 
   
  
  
      13.79   13.80
      14.34   14.35
   
       -399.91310971 
       -399.90330291 
       -399.90984077 
   
  
  
      15.65   15.66
      16.30   16.31
   
       -399.34879016 
       -399.34294691 
       -399.34684241 
   
  
  
      14.62   14.63
      15.25   15.26
   
       -399.25053805 
       -399.26888543 
       -399.25665385 
   
  
  
      14.83   14.84
      15.39   15.39
   
       -399.24002272 
       -399.22547272 
       -399.23517272 
   
  
  
      15.03   15.07
      15.60   15.63
   
       -399.24429738 
       -399.25622233 
       -399.24827236 
   
  
  
      14.55   14.56
      15.18   15.19
   
       -399.24088746 
       -399.26708815 
       -399.24962103 
   
  
  
      16.93   16.95
      17.54   17.57
   
       -399.23854755 
       -399.22862309 
       -399.23523940 
   
  
  
      14.72   14.74
      15.36   15.39
   
       -399.23635402 
       -399.25316926 
       -399.24195910 
   
  
  
      14.55   14.57
      15.17   15.19
   
       -399.23948346 
       -399.23253072 
       -399.23716588 
   
  
  
      17.30   17.31
      17.89   17.90
   
       -399.23891436 
       -399.25981054 
       -399.24587975 
   
  
  
      14.14   14.16
      14.78   14.79
   
       -399.24028288 
       -399.25380878 
       -399.24479151 
   
  
  
      14.45   14.47
      15.10   15.12
   
       -399.24228104 
       -399.24695628 
       -399.24383945 
   
  
  
      14.69   14.71
      15.35   15.37
   
       -399.24274630 
       -399.25077181 
       -399.24542147 
   
  
  
      15.16   15.16
      15.88   15.89
   
       -399.24344164 
       -399.25566676 
       -399.24751668 
   
  
  
      14.39   14.41
      15.02   15.04
   
       -399.24389320 
       -399.25671630 
       -399.24816756 
   
  
  
      14.06   14.08
      14.64   14.66
   
       -399.24439231 
       -399.25680174 
       -399.24852878 
   
  
  
      13.03   13.05
      13.67   13.68
   
       -399.24472506 
       -399.25638022 
       -399.24861011 
   
  
  
      10.81   10.83
      11.40   11.42
   
       -399.24481339 
       -399.25636382 
       -399.24866353 
   
  
  
       9.33    9.37
       9.96    9.99
   
       -399.24488430 
       -399.25684685 
       -399.24887182