vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 01 09 
  12:58:27 
 
 
  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      0.77000000      0.32000000      0.72000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      25.32620000       0.00000000 
            0.00000000       0.00000000       5.41863000 
    
       1051.63255568 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.03948480       0.00000000 
            0.00000000       0.00000000       0.18454849 
    
   
   
           0.90850206       0.22573436       0.33558100 
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           0.47513693       0.22936756       0.47104795 
           0.68985694       0.01403768       0.52078623 
           0.09860669       0.53583795       0.78978479 
           0.66222533       0.54043884       0.65706848 
           0.75753056       0.96516420       0.88193843 
           0.91562753       0.63774936       0.35494053 
           0.51224697       0.03824875       0.67218904 
           0.53112944       0.16420116       0.97743788 
           0.12813949       0.37502013       0.86971474 
           0.24506306       0.65581873       0.05608617 
           0.07974834       0.00579109       0.39610914 
           0.95333861       0.70987639       0.59935244 
           0.87384179       0.72259401       0.55318360 
           0.88499383       0.72292977       0.55784672 
           0.18589015       0.54075969       0.49573058 
           0.43603354       0.12132156       0.23066369 
           0.71389427       0.56110779       0.95868349 
           0.63776851       0.45808783       0.43920015 
           0.12264004       0.73893803       0.34103924 
           0.83754067       0.24479228       0.68700248 
           0.44061562       0.82966396       0.85162215 
           0.69907253       0.58606907       0.77549513 
           0.55662723       0.65442430       0.28274311 
           0.88263418       0.42828428       0.29786093 
           0.00553018       0.60931916       0.07865280 
           0.97812312       0.82993562       0.64086167 
           0.66491076       0.50821803       0.15008918 
           0.93251551       0.19378722       0.24912324 
           0.91323639       0.95622859       0.16198928 
           0.55992271       0.81002878       0.89367056 
           0.18283922       0.53431551       0.76573521 
           0.25259967       0.64180295       0.45018729 
           0.54178610       0.15574953       0.05136622 
           0.67297063       0.76151033       0.62905331 
           0.22007711       0.85140048       0.68912303 
           0.14652548       0.66214179       0.78005263 
           0.82857219       0.86580133       0.22429276 
           0.68648193       0.67936123       0.82710331 
           0.94267080       0.84264855       0.36155607 
           0.38610575       0.61136631       0.89672106 
           0.53305485       0.49019151       0.65904811 
           0.88706157       0.60522613       0.15193118 
   
  
  
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          44 
  
 
 
  
          2        1        3 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.33333333 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
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          0.50000000       0.00000000       0.33333333 
  
  
          0.16666667 
          0.16666667 
          0.33333333 
          0.33333333 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      108
       -1
       -1
       168.00000000
        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
     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
           0.00000002
           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
       28
       80
      252
       56
    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      0.77000000      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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000     12.01100000      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
        14.34044394
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
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    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  
  
 
 
        44 
         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
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    C    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    F    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      25Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       8O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       1C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       9H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1F      18.99800000      7.00000000  PAW_PBE F 08Apr2002                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      25.32620000       0.00000000 
           0.00000000       0.00000000       5.41863000 
   
      1051.63255568 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.03948480       0.00000000 
           0.00000000       0.00000000       0.18454849 
   
  
  
          0.90850206       0.22573436       0.33558100 
          0.11041034       0.25345539       0.37570433 
          0.47513693       0.22936756       0.47104795 
          0.68985694       0.01403768       0.52078623 
          0.09860669       0.53583795       0.78978479 
          0.66222533       0.54043884       0.65706848 
          0.75753056       0.96516420       0.88193843 
          0.91562753       0.63774936       0.35494053 
          0.51224697       0.03824875       0.67218904 
          0.53112944       0.16420116       0.97743788 
          0.12813949       0.37502013       0.86971474 
          0.24506306       0.65581873       0.05608617 
          0.07974834       0.00579109       0.39610914 
          0.95333861       0.70987639       0.59935244 
          0.87384179       0.72259401       0.55318360 
          0.88499383       0.72292977       0.55784672 
          0.18589015       0.54075969       0.49573058 
          0.43603354       0.12132156       0.23066369 
          0.71389427       0.56110779       0.95868349 
          0.63776851       0.45808783       0.43920015 
          0.12264004       0.73893803       0.34103924 
          0.83754067       0.24479228       0.68700248 
          0.44061562       0.82966396       0.85162215 
          0.69907253       0.58606907       0.77549513 
          0.55662723       0.65442430       0.28274311 
          0.88263418       0.42828428       0.29786093 
          0.00553018       0.60931916       0.07865280 
          0.97812312       0.82993562       0.64086167 
          0.66491076       0.50821803       0.15008918 
          0.93251551       0.19378722       0.24912324 
          0.91323639       0.95622859       0.16198928 
          0.55992271       0.81002878       0.89367056 
          0.18283922       0.53431551       0.76573521 
          0.25259967       0.64180295       0.45018729 
          0.54178610       0.15574953       0.05136622 
          0.67297063       0.76151033       0.62905331 
          0.22007711       0.85140048       0.68912303 
          0.14652548       0.66214179       0.78005263 
          0.82857219       0.86580133       0.22429276 
          0.68648193       0.67936123       0.82710331 
          0.94267080       0.84264855       0.36155607 
          0.38610575       0.61136631       0.89672106 
          0.53305485       0.49019151       0.65904811 
          0.88706157       0.60522613       0.15193118 
  
 
 
  
       6.80    6.85
       6.93    6.98
   
         74.00007382 
       5911.23341533 
      -9071.75743145 
         44.70689775 
       5642.42690935 
      -5222.73511433 
         -0.00367677 
        357.58639917 
       6953.63384995 
       4689.09132282 
       4689.09499959 
       4689.09254841