vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 12 
  20:59:41 
 
 
  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 
    
   
   
           0.00100463       0.83518451       0.32255943 
           0.42695435       0.77700986       0.07018051 
           0.08673754       0.03511429       0.51929017 
           0.98641867       0.64749775       0.80539323 
           0.00340514       0.23909338       0.43360943 
           0.25340514       0.23909338       0.31862403 
           0.00340514       0.31201074       0.06422657 
           0.25340514       0.31201074       0.18800689 
           0.00340514       0.38851487       0.43783902 
           0.25340514       0.38851487       0.31439444 
           0.47128809       0.43520028       0.44162783 
           0.88962519       0.96275650       0.04664238 
           0.43443150       0.57098060       0.55549495 
           0.71537527       0.36038827       0.59979145 
           0.25340514       0.23909338       0.81862403 
           0.00340514       0.31201074       0.56422657 
           0.25340514       0.31201074       0.68800689 
           0.00340514       0.38851487       0.93783902 
           0.25340514       0.38851487       0.81439444 
           0.35398480       0.30780422       0.46406545 
           0.66728405       0.82050841       0.13343057 
           0.51341173       0.72059158       0.39077688 
           0.43542314       0.51002072       0.34007816 
           0.50340514       0.23909338       0.43360943 
           0.75340514       0.23909338       0.31862403 
           0.50340514       0.31201074       0.06422657 
           0.75340514       0.31201074       0.18800689 
           0.50340514       0.38851487       0.43783902 
           0.75340514       0.38851487       0.31439444 
           0.52749602       0.82636535       0.97282624 
           0.16901377       0.21475035       0.03720332 
           0.33917337       0.63036031       0.89888226 
           0.46608651       0.13177281       0.52090806 
           0.50340514       0.23909338       0.93360943 
           0.75340514       0.23909338       0.81862403 
           0.75340514       0.31201074       0.68800689 
           0.50340514       0.38851487       0.93783902 
           0.75340514       0.38851487       0.81439444 
           0.59705413       0.25393357       0.37901797 
           0.65294251       0.14112452       0.34208177 
           0.16087212       0.05701506       0.18849448 
           0.29602286       0.92313983       0.26123644 
           0.11925642       0.58059838       0.14295627 
           0.76142000       0.07758011       0.35716813 
           0.40366707       0.62869310       0.29558626 
           0.97024599       0.79570818       0.27443000 
           0.58616112       0.39434078       0.91109162 
           0.07965968       0.98025232       0.21150118 
           0.39624975       0.46194883       0.69652709 
           0.35799737       0.24862338       0.71619649 
           0.93081386       0.13127182       0.36700511 
           0.54984941       0.19259296       0.45904499 
           0.54015378       0.58574543       0.24162060 
           0.09974542       0.18276811       0.30154881 
           0.96382418       0.03055917       0.09209516 
           0.90002818       0.20973054       0.98255644 
           0.83966078       0.05629178       0.91934031 
           0.94141726       0.75318564       0.46343941 
           0.03585093       0.44772163       0.16501068 
           0.30866674       0.47597481       0.25619726 
           0.09122371       0.97896040       0.46011173 
           0.84054093       0.68015189       0.52728047 
           0.57580811       0.09791268       0.61776654 
           0.36597286       0.08404212       0.53944441 
           0.16899175       0.55829188       0.84822326 
           0.78905776       0.70377461       0.33234065 
           0.46910305       0.76757201       0.91956082 
           0.53301958       0.55500954       0.44358010 
           0.76173112       0.72094041       0.14711745 
           0.57172772       0.23019468       0.09352231 
           0.20430705       0.39652045       0.27780742 
           0.52581933       0.88221998       0.66745025 
           0.17305357       0.18084837       0.58341428 
           0.76258632       0.81447068       0.17847139 
           0.56619299       0.34256872       0.41928139 
   
  
  
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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 
   
  
  
          0.00100463       0.83518451       0.32255943 
          0.42695435       0.77700986       0.07018051 
          0.08673754       0.03511429       0.51929017 
          0.98641867       0.64749775       0.80539323 
          0.00340514       0.23909338       0.43360943 
          0.25340514       0.23909338       0.31862403 
          0.00340514       0.31201074       0.06422657 
          0.25340514       0.31201074       0.18800689 
          0.00340514       0.38851487       0.43783902 
          0.25340514       0.38851487       0.31439444 
          0.47128809       0.43520028       0.44162783 
          0.88962519       0.96275650       0.04664238 
          0.43443150       0.57098060       0.55549495 
          0.71537527       0.36038827       0.59979145 
          0.25340514       0.23909338       0.81862403 
          0.00340514       0.31201074       0.56422657 
          0.25340514       0.31201074       0.68800689 
          0.00340514       0.38851487       0.93783902 
          0.25340514       0.38851487       0.81439444 
          0.35398480       0.30780422       0.46406545 
          0.66728405       0.82050841       0.13343057 
          0.51341173       0.72059158       0.39077688 
          0.43542314       0.51002072       0.34007816 
          0.50340514       0.23909338       0.43360943 
          0.75340514       0.23909338       0.31862403 
          0.50340514       0.31201074       0.06422657 
          0.75340514       0.31201074       0.18800689 
          0.50340514       0.38851487       0.43783902 
          0.75340514       0.38851487       0.31439444 
          0.52749602       0.82636535       0.97282624 
          0.16901377       0.21475035       0.03720332 
          0.33917337       0.63036031       0.89888226 
          0.46608651       0.13177281       0.52090806 
          0.50340514       0.23909338       0.93360943 
          0.75340514       0.23909338       0.81862403 
          0.75340514       0.31201074       0.68800689 
          0.50340514       0.38851487       0.93783902 
          0.75340514       0.38851487       0.81439444 
          0.59705413       0.25393357       0.37901797 
          0.65294251       0.14112452       0.34208177 
          0.16087212       0.05701506       0.18849448 
          0.29602286       0.92313983       0.26123644 
          0.11925642       0.58059838       0.14295627 
          0.76142000       0.07758011       0.35716813 
          0.40366707       0.62869310       0.29558626 
          0.97024599       0.79570818       0.27443000 
          0.58616112       0.39434078       0.91109162 
          0.07965968       0.98025232       0.21150118 
          0.39624975       0.46194883       0.69652709 
          0.35799737       0.24862338       0.71619649 
          0.93081386       0.13127182       0.36700511 
          0.54984941       0.19259296       0.45904499 
          0.54015378       0.58574543       0.24162060 
          0.09974542       0.18276811       0.30154881 
          0.96382418       0.03055917       0.09209516 
          0.90002818       0.20973054       0.98255644 
          0.83966078       0.05629178       0.91934031 
          0.94141726       0.75318564       0.46343941 
          0.03585093       0.44772163       0.16501068 
          0.30866674       0.47597481       0.25619726 
          0.09122371       0.97896040       0.46011173 
          0.84054093       0.68015189       0.52728047 
          0.57580811       0.09791268       0.61776654 
          0.36597286       0.08404212       0.53944441 
          0.16899175       0.55829188       0.84822326 
          0.78905776       0.70377461       0.33234065 
          0.46910305       0.76757201       0.91956082 
          0.53301958       0.55500954       0.44358010 
          0.76173112       0.72094041       0.14711745 
          0.57172772       0.23019468       0.09352231 
          0.20430705       0.39652045       0.27780742 
          0.52581933       0.88221998       0.66745025 
          0.17305357       0.18084837       0.58341428 
          0.76258632       0.81447068       0.17847139 
          0.56619299       0.34256872       0.41928139 
  
  
     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 
  
 
 
  
      29.17   29.22
      32.53   32.57
   
        117.93208328 
       6604.70945831 
     -17562.46144213 
        157.01132508 
      10046.92708312 
      -9370.43527668 
          0.00949217 
       -517.72814368 
      12445.10377463 
       1921.06835410 
       1921.05886193 
       1921.06519004 
   
  
  
      35.39   35.40
      35.40   35.40
   
        222.07721933 
        222.08742928 
        222.08062265 
   
  
  
      34.66   34.74
      34.66   34.74
   
        -59.80812665 
        -59.81723172 
        -59.81116168 
   
  
  
      35.98   36.02
      35.99   36.02
   
        -71.94284063 
        -71.97045619 
        -71.95204582 
   
  
  
      37.43   37.46
      37.69   37.73
   
        -72.37542925 
        -72.40132797 
        -72.38406216 
   
  
  
      32.88   32.93
      34.38   34.43
   
          7.33137022 
          7.32246817 
          7.32840287 
   
  
  
      44.25   44.28
      45.82   45.86
   
      -1001.75110959 
      -1001.73996738 
      -1001.74739552 
   
  
  
      42.39   42.45
      44.40   44.46
   
        -25.50739809 
        -25.54121195 
        -25.51866938 
   
  
  
      35.21   35.25
      37.41   37.46
   
         13.00260638 
         13.04861225 
         13.01794167 
   
  
  
      33.03   33.07
      34.80   34.84
   
         42.71042490 
         42.69046994 
         42.70377324 
   
  
  
      34.51   34.55
      36.09   36.12
   
         59.64247693 
         59.64338158 
         59.64277848 
   
  
  
      33.78   33.82
      35.41   35.45
   
         66.93753273 
         66.90698051 
         66.92734866 
   
  
  
      32.62   32.69
      34.52   34.58
   
         77.02916470 
         77.01551927 
         77.02461622 
   
  
  
      35.00   35.08
      37.00   37.09
   
         66.75530939 
         66.77096932 
         66.76052936 
   
  
  
      33.78   33.82
      35.41   35.45
   
         61.25736178 
         61.18238679 
         61.23237012 
   
  
  
      34.80   34.85
      36.53   36.58
   
         59.58392207 
         59.55600096 
         59.57461504 
   
  
  
      31.95   32.02
      33.67   33.74
   
         51.06202416 
         51.04201487 
         51.05535439 
   
  
  
      34.04   34.09
      36.07   36.13
   
         44.06330569 
         44.06107584 
         44.06256241 
   
  
  
      32.26   32.31
      34.06   34.10
   
         40.13878336 
         40.16789798 
         40.14848823 
   
  
  
      32.73   32.79
      34.32   34.37
   
         39.22008547 
         39.22226787 
         39.22081294 
   
  
  
      32.90   32.97
      34.50   34.57
   
         37.40587456 
         37.36617780 
         37.39264230 
   
  
  
      34.04   34.10
      35.53   35.59
   
         35.47342442 
         35.46525963 
         35.47070282 
   
  
  
      31.63   31.69
      33.17   33.22
   
         32.67458330 
         32.59273935 
         32.64730198 
   
  
  
      32.30   32.34
      33.79   33.84
   
         32.51078202 
         32.43279813 
         32.48478739 
   
  
  
      32.67   32.70
      34.21   34.25
   
         29.56608516 
         29.58419765 
         29.57212266 
   
  
  
      34.89   34.94
      36.34   36.39
   
         24.67071199 
         24.64542548 
         24.66228315 
   
  
  
      33.93   33.97
      35.50   35.54
   
         16.80234446 
         16.80557857 
         16.80342250 
   
  
  
      32.70   32.76
      34.28   34.33
   
         16.90270189 
         16.94366069 
         16.91635483 
   
  
  
      31.63   31.70
      33.48   33.55
   
         15.00319699 
         15.01098086 
         15.00579161 
   
  
  
      32.53   32.58
      34.16   34.22
   
         14.63340032 
         14.65443500 
         14.64041188 
   
  
  
      34.15   34.20
      35.67   35.72
   
         14.64828003 
         14.66990269 
         14.65548758 
   
  
  
      33.29   33.33
      35.10   35.15
   
         14.65466619 
         14.67620389 
         14.66184543 
   
  
  
      28.79   28.85
      30.40   30.45
   
         14.65099504 
         14.66983211 
         14.65727407 
   
  
  
      28.57   28.63
      30.08   30.14
   
         14.47817441 
         14.48596067 
         14.48076983 
   
  
  
      26.84   26.88
      28.32   28.36
   
         14.38812684 
         14.41009418 
         14.39544928 
   
  
  
      28.33   28.39
      29.86   29.93
   
         13.45466211 
         13.46771925 
         13.45901449 
   
  
  
      28.73   28.79
      30.31   30.38
   
         12.88982855 
         12.89485881 
         12.89150530 
   
  
  
      28.73   28.79
      30.37   30.43
   
         12.92190814 
         12.94596135 
         12.92992588 
   
  
  
      28.86   28.89
      30.40   30.43
   
         10.89235936 
         10.88867994 
         10.89113289 
   
  
  
      30.50   30.56
      32.11   32.17
   
          9.72363571 
          9.70586067 
          9.71771070 
   
  
  
      28.08   28.12
      29.83   29.88
   
          5.65870873 
          5.63043932 
          5.64928559 
   
  
  
      27.13   27.17
      28.76   28.81
   
         -0.33476512 
         -0.36861854 
         -0.34604960