vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 13 
  20:45:03 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.99000000      0.32000000      0.75000000
       -0.00300000      0.00000000     -0.00100000      0.00100000      0.00000000      0.01700000      0.06100000      0.01500000     -0.00100000      0.00600000      0.00100000      0.00100000      0.00100000      0.00000000     -0.00300000      0.00000000      0.01800000      0.01000000      0.00400000      0.00000000
     -0.00400000     -0.00100000      0.00100000      0.17200000      0.01700000      0.00000000      0.01700000     -0.04100000      0.00600000      0.00000000      0.00000000      0.00100000      0.00000000     -0.00100000     -0.00800000      0.02300000      0.00100000      0.00400000      0.00000000      0.00000000
      0.00000000     -0.00100000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00200000      0.00100000      0.00600000     -0.00100000      0.01400000      0.00100000     -0.00200000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10600000      0.00400000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      25.32620000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       2103.26511137 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.03948480       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.31037155       0.47665987       0.12188074 
           0.93793067       0.61106946       0.42780452 
           0.68883405       0.47214552       0.25772517 
           0.40088962       0.57562816       0.35945072 
           0.00090721       0.23735711       0.43232288 
           0.25090721       0.23735711       0.31733748 
           0.00090721       0.31027447       0.06294002 
           0.25090721       0.31027447       0.18672034 
           0.00090721       0.38677860       0.43655247 
           0.25090721       0.38677860       0.31310789 
           0.07682811       0.51849018       0.45334937 
           0.04311182       0.56618252       0.98841366 
           0.19157229       0.50336312       0.77298655 
           0.14165337       0.62578302       0.75570961 
           0.25090721       0.23735711       0.81733748 
           0.00090721       0.31027447       0.56294002 
           0.25090721       0.31027447       0.68672034 
           0.00090721       0.38677860       0.93655247 
           0.25090721       0.38677860       0.81310789 
           0.83337774       0.51992785       0.78578388 
           0.86987757       0.75077656       0.89800354 
           0.86500127       0.47734280       0.19857195 
           0.89258896       0.53846706       0.24512132 
           0.50090721       0.23735711       0.43232288 
           0.75090721       0.23735711       0.31733748 
           0.50090721       0.31027447       0.06294002 
           0.75090721       0.31027447       0.18672034 
           0.50090721       0.38677860       0.43655247 
           0.75090721       0.38677860       0.31310789 
           0.46305373       0.43943872       0.67294000 
           0.40492230       0.61330115       0.82382370 
           0.85884285       0.50817391       0.69180115 
           0.71418780       0.58216916       0.83053987 
           0.50090721       0.23735711       0.93232288 
           0.75090721       0.23735711       0.81733748 
           0.75090721       0.31027447       0.68672034 
           0.50090721       0.38677860       0.93655247 
           0.75090721       0.38677860       0.81310789 
           0.03277129       0.69296005       0.77901700 
           0.87460842       0.55855030       0.73901874 
           0.12270396       0.69619934       0.59203979 
           0.50941467       0.63184011       0.53056341 
           0.71153641       0.63959973       0.91428234 
           0.36676466       0.48561881       0.79814302 
           0.02130140       0.62235685       0.14024320 
           0.77060001       0.53618870       0.98089960 
           0.58841425       0.60751406       0.12228415 
           0.70659342       0.53188040       0.00415750 
           0.07129494       0.16842041       0.53470016 
           0.34509321       0.22515153       0.07913884 
           0.13362152       0.17026333       0.98413447 
           0.63757026       0.19094404       0.14580821 
           0.81511045       0.23402669       0.15440390 
           0.87663041       0.18698503       0.77198600 
           0.30972386       0.66896366       0.99926057 
           0.10361850       0.52827659       0.46678049 
           0.87388218       0.61755056       0.84940127 
           0.23620628       0.53777778       0.22760287 
           0.74223069       0.75184899       0.59441208 
           0.18022086       0.71480824       0.35499168 
           0.25828694       0.56413348       0.07804543 
           0.88597687       0.62349511       0.08118110 
           0.74309664       0.64870429       0.16974688 
           0.49188652       0.63020568       0.08055456 
           0.69055097       0.45179722       0.93791466 
           0.97700208       0.62107811       0.45383574 
           0.12121302       0.63059103       0.45901454 
           0.10299325       0.14740630       0.51454764 
           0.33556064       0.16019381       0.26656898 
           0.20564697       0.16723887       0.76661109 
           0.59128744       0.19480607       0.05941704 
           0.46924716       0.16007334       0.08575594 
           0.88824605       0.18814201       0.77628015 
           0.19561405       0.00437619       0.22056772 
           0.97050576       0.84604454       0.00639433 
   
  
  
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          51 
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          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
       627.11200000
         0.00001000
       38
       10
      189
       -1
       -1
       299.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
         -0.00300000      0.00000000     -0.00100000      0.00100000      0.00000000      0.01700000      0.06100000      0.01500000     -0.00100000      0.00600000      0.00100000      0.00100000      0.00100000      0.00000000     -0.00300000      0.00000000      0.01800000      0.01000000      0.00400000      0.00000000
     -0.00400000     -0.00100000      0.00100000      0.17200000      0.01700000      0.00000000      0.01700000     -0.04100000      0.00600000      0.00000000      0.00000000      0.00100000      0.00000000     -0.00100000     -0.00800000      0.02300000      0.00100000      0.00400000      0.00000000      0.00000000
      0.00000000     -0.00100000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00200000      0.00100000      0.00600000     -0.00100000      0.01400000      0.00100000     -0.00200000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10600000      0.00400000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000001
           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
          1.60000000
          1.00000000
    
          4
      F  
        -45
         100.00000000
          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       40
      126
       54
       80
      252
      108
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.73000000      0.99000000      0.32000000      0.75000000
      301
        10.00000000
       -10.00000000
         0.00000000
  
  
        1
    F  
    F  
    F  
    F  
    F  
    F  
    F  
    F  
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000     35.45300000      1.00000000     14.00100000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
    T  
  
   T  
   F  
       0
   F  
       0
  
   --
        1
    F  
   
    F  
    F  
    F  
    F  
    F  
        -1.00000000
        0
        0
         0.00000000
         0.00000000
         0.00000000
         1.00000000
         1.00000000
         1.00000000
         1.00000000
        1
        1
        1
    F  
    F  
    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        16.82612089
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
    F  
         0.00000000      0.00000000      0.00000000
    T  
    F  
    F  
    F  
    T  
        0
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000
  
  
    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
        -2.00000000
        -2.00000000
        -1.00000000
    F  
       -1
         0.00000000
        0
        0
       -1
       -1
       -1
       60
        1
        3
        4
        0
       -30.00000000
       -30.00000000
      -200.00000000
        0
        -0.10000000
    F  
    F  
    F  
    F  
    F  
    F  
    F  
        1
        1
        1
     2800
        0
       -1
       -1
         0.80000001
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
        75 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    Cl   3
    Cl   3
    Cl   3
    Cl   3
    Cl   3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    N    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      40Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      14O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       5Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
      15H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      25.32620000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      2103.26511137 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.03948480       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.31037155       0.47665987       0.12188074 
          0.93793067       0.61106946       0.42780452 
          0.68883405       0.47214552       0.25772517 
          0.40088962       0.57562816       0.35945072 
          0.00090721       0.23735711       0.43232288 
          0.25090721       0.23735711       0.31733748 
          0.00090721       0.31027447       0.06294002 
          0.25090721       0.31027447       0.18672034 
          0.00090721       0.38677860       0.43655247 
          0.25090721       0.38677860       0.31310789 
          0.07682811       0.51849018       0.45334937 
          0.04311182       0.56618252       0.98841366 
          0.19157229       0.50336312       0.77298655 
          0.14165337       0.62578302       0.75570961 
          0.25090721       0.23735711       0.81733748 
          0.00090721       0.31027447       0.56294002 
          0.25090721       0.31027447       0.68672034 
          0.00090721       0.38677860       0.93655247 
          0.25090721       0.38677860       0.81310789 
          0.83337774       0.51992785       0.78578388 
          0.86987757       0.75077656       0.89800354 
          0.86500127       0.47734280       0.19857195 
          0.89258896       0.53846706       0.24512132 
          0.50090721       0.23735711       0.43232288 
          0.75090721       0.23735711       0.31733748 
          0.50090721       0.31027447       0.06294002 
          0.75090721       0.31027447       0.18672034 
          0.50090721       0.38677860       0.43655247 
          0.75090721       0.38677860       0.31310789 
          0.46305373       0.43943872       0.67294000 
          0.40492230       0.61330115       0.82382370 
          0.85884285       0.50817391       0.69180115 
          0.71418780       0.58216916       0.83053987 
          0.50090721       0.23735711       0.93232288 
          0.75090721       0.23735711       0.81733748 
          0.75090721       0.31027447       0.68672034 
          0.50090721       0.38677860       0.93655247 
          0.75090721       0.38677860       0.81310789 
          0.03277129       0.69296005       0.77901700 
          0.87460842       0.55855030       0.73901874 
          0.12270396       0.69619934       0.59203979 
          0.50941467       0.63184011       0.53056341 
          0.71153641       0.63959973       0.91428234 
          0.36676466       0.48561881       0.79814302 
          0.02130140       0.62235685       0.14024320 
          0.77060001       0.53618870       0.98089960 
          0.58841425       0.60751406       0.12228415 
          0.70659342       0.53188040       0.00415750 
          0.07129494       0.16842041       0.53470016 
          0.34509321       0.22515153       0.07913884 
          0.13362152       0.17026333       0.98413447 
          0.63757026       0.19094404       0.14580821 
          0.81511045       0.23402669       0.15440390 
          0.87663041       0.18698503       0.77198600 
          0.30972386       0.66896366       0.99926057 
          0.10361850       0.52827659       0.46678049 
          0.87388218       0.61755056       0.84940127 
          0.23620628       0.53777778       0.22760287 
          0.74223069       0.75184899       0.59441208 
          0.18022086       0.71480824       0.35499168 
          0.25828694       0.56413348       0.07804543 
          0.88597687       0.62349511       0.08118110 
          0.74309664       0.64870429       0.16974688 
          0.49188652       0.63020568       0.08055456 
          0.69055097       0.45179722       0.93791466 
          0.97700208       0.62107811       0.45383574 
          0.12121302       0.63059103       0.45901454 
          0.10299325       0.14740630       0.51454764 
          0.33556064       0.16019381       0.26656898 
          0.20564697       0.16723887       0.76661109 
          0.59128744       0.19480607       0.05941704 
          0.46924716       0.16007334       0.08575594 
          0.88824605       0.18814201       0.77628015 
          0.19561405       0.00437619       0.22056772 
          0.97050576       0.84604454       0.00639433 
  
  
     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 
  
 
 
  
      22.79   22.82
      25.39   25.42
   
        123.65170997 
      25421.88516710 
     -34937.99692473 
        173.39107200 
      10239.95902789 
      -9563.30171726 
          0.00733511 
       -475.02228230 
      12674.55391393 
       3657.12730171 
       3657.11996660 
       3657.12485667 
   
  
  
      31.50   31.52
      31.51   31.52
   
       1694.58067536 
       1694.60665315 
       1694.58933462 
   
  
  
      34.40   34.42
      34.41   34.42
   
       1315.06098454 
       1315.03578557 
       1315.05258488 
   
  
  
      31.87   31.88
      31.87   31.89
   
       1285.75684723 
       1285.74570183 
       1285.75313210 
   
  
  
      33.01   33.02
      33.27   33.29
   
       1284.65523506 
       1284.64445130 
       1284.65164047 
   
  
  
      34.28   34.33
      35.72   35.77
   
       1315.27852008 
       1315.29639815 
       1315.28447944 
   
  
  
      35.27   35.31
      36.94   36.99
   
       1074.67499726 
       1074.68391731 
       1074.67797061 
   
  
  
      37.67   37.70
      39.12   39.15
   
        946.73909409 
        946.76084446 
        946.74634421 
   
  
  
      34.73   34.78
      36.32   36.38
   
       1403.20114330 
       1403.19898515 
       1403.20042391 
   
  
  
      32.47   32.52
      33.91   33.95
   
       1349.98913296 
       1349.99570080 
       1349.99132224 
   
  
  
      31.96   32.03
      33.41   33.50
   
       1344.51482044 
       1344.48710373 
       1344.50558154 
   
  
  
      33.41   33.46
      34.75   34.81
   
       1333.59023243 
       1333.62393938 
       1333.60146808 
   
  
  
      31.77   31.82
      33.21   33.25
   
       1381.15342564 
       1381.13703715 
       1381.14796281 
   
  
  
      30.02   30.07
      31.42   31.47
   
       1380.84760484 
       1380.84317753 
       1380.84612907 
   
  
  
      33.04   33.11
      34.85   34.93
   
       1378.03497985 
       1378.02121878 
       1378.03039282 
   
  
  
      32.61   32.65
      34.07   34.11
   
       1365.47754246 
       1365.51242060 
       1365.48916850 
   
  
  
      31.38   31.43
      32.82   32.87
   
       1348.46775495 
       1348.45771343 
       1348.46440778 
   
  
  
      32.99   33.06
      34.54   34.61
   
       1352.26729823 
       1352.30448064 
       1352.27969237 
   
  
  
      32.13   32.18
      33.67   33.72
   
       1366.23601036 
       1366.25689330 
       1366.24297134 
   
  
  
      29.20   29.25
      31.13   31.18
   
       1375.53917357 
       1375.55424057 
       1375.54419590 
   
  
  
      29.67   29.74
      31.17   31.23
   
       1385.00027293 
       1385.01524811 
       1385.00526465 
   
  
  
      30.28   30.35
      31.71   31.78
   
       1395.78589821 
       1395.78368455 
       1395.78516033