vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 06 
  18:51:40 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.77000000      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 
    
   
   
           0.99266477       0.46252920       0.04408640 
           0.00673862       0.54894364       0.44867957 
           0.24020303       0.45805635       0.17729939 
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           0.99467257       0.30643388       0.05632833 
           0.24467257       0.30643388       0.18010865 
           0.99467257       0.38293801       0.42994078 
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           0.99127069       0.46278962       0.54712181 
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           0.24467257       0.23351652       0.81072579 
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           0.24467257       0.30643388       0.68010865 
           0.99467257       0.38293801       0.92994078 
           0.24467257       0.38293801       0.80649620 
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           0.51470844       0.53720482       0.44179932 
           0.75029731       0.45623025       0.17478124 
           0.77365161       0.51651959       0.33581782 
           0.49467257       0.23351652       0.42571119 
           0.74467257       0.23351652       0.31072579 
           0.49467257       0.30643388       0.05632833 
           0.74467257       0.30643388       0.18010865 
           0.49467257       0.38293801       0.42994078 
           0.74467257       0.38293801       0.30649620 
           0.48740168       0.45755533       0.55897542 
           0.48623570       0.53401989       0.93831570 
           0.74360173       0.45884118       0.67862738 
           0.74539185       0.52806939       0.82641805 
           0.49467257       0.23351652       0.92571119 
           0.74467257       0.23351652       0.81072579 
           0.74467257       0.30643388       0.68010865 
           0.49467257       0.38293801       0.92994078 
           0.74467257       0.38293801       0.80649620 
           0.16351531       0.65108284       0.75123326 
           0.63785441       0.63125200       0.63266398 
           0.23694797       0.58905487       0.73821752 
           0.53343522       0.59176292       0.53048123 
           0.26537048       0.68553451       0.62002108 
           0.59766256       0.72456171       0.75100806 
           0.38708947       0.70829309       0.63097397 
           0.22302110       0.68445692       0.52154477 
           0.22749990       0.66957953       0.87162036 
           0.80766047       0.63708001       0.56411752 
           0.97113591       0.64857571       0.74828036 
           0.69865225       0.58385755       0.73154159 
           0.72288581       0.73802537       0.79286019 
           0.92539860       0.73754134       0.72716539 
           0.56798151       0.75003794       0.67026272 
           0.49057072       0.72221007       0.82070368 
   
  
  
           1 
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           7 
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           9 
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          41 
          42 
          43 
          44 
          45 
          46 
          47 
          48 
          49 
          50 
          51 
          52 
          53 
          54 
  
 
 
  
          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
       644.87300000
         0.00001000
       38
       10
      123
       -1
       -1
       190.00000000
        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
   
   
         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
     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
           0.00000002
           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
       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      0.77000000      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
  
  
        1
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000     12.01100000      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
        23.36961235
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
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         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
       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  
  
 
 
        54 
         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
    C    3
    C    3
    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                  
       2O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      10H       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 
   
  
  
          0.99266477       0.46252920       0.04408640 
          0.00673862       0.54894364       0.44867957 
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          0.24920016       0.52139966       0.33559245 
          0.99467257       0.23351652       0.42571119 
          0.24467257       0.23351652       0.31072579 
          0.99467257       0.30643388       0.05632833 
          0.24467257       0.30643388       0.18010865 
          0.99467257       0.38293801       0.42994078 
          0.24467257       0.38293801       0.30649620 
          0.99127069       0.46278962       0.54712181 
          0.98651615       0.54745589       0.95484788 
          0.23596533       0.46019592       0.68454547 
          0.22678221       0.53511168       0.82131374 
          0.24467257       0.23351652       0.81072579 
          0.99467257       0.30643388       0.55632833 
          0.24467257       0.30643388       0.68010865 
          0.99467257       0.38293801       0.92994078 
          0.24467257       0.38293801       0.80649620 
          0.49407351       0.45878228       0.05801130 
          0.51470844       0.53720482       0.44179932 
          0.75029731       0.45623025       0.17478124 
          0.77365161       0.51651959       0.33581782 
          0.49467257       0.23351652       0.42571119 
          0.74467257       0.23351652       0.31072579 
          0.49467257       0.30643388       0.05632833 
          0.74467257       0.30643388       0.18010865 
          0.49467257       0.38293801       0.42994078 
          0.74467257       0.38293801       0.30649620 
          0.48740168       0.45755533       0.55897542 
          0.48623570       0.53401989       0.93831570 
          0.74360173       0.45884118       0.67862738 
          0.74539185       0.52806939       0.82641805 
          0.49467257       0.23351652       0.92571119 
          0.74467257       0.23351652       0.81072579 
          0.74467257       0.30643388       0.68010865 
          0.49467257       0.38293801       0.92994078 
          0.74467257       0.38293801       0.80649620 
          0.16351531       0.65108284       0.75123326 
          0.63785441       0.63125200       0.63266398 
          0.23694797       0.58905487       0.73821752 
          0.53343522       0.59176292       0.53048123 
          0.26537048       0.68553451       0.62002108 
          0.59766256       0.72456171       0.75100806 
          0.38708947       0.70829309       0.63097397 
          0.22302110       0.68445692       0.52154477 
          0.22749990       0.66957953       0.87162036 
          0.80766047       0.63708001       0.56411752 
          0.97113591       0.64857571       0.74828036 
          0.69865225       0.58385755       0.73154159 
          0.72288581       0.73802537       0.79286019 
          0.92539860       0.73754134       0.72716539 
          0.56798151       0.75003794       0.67026272 
          0.49057072       0.72221007       0.82070368 
  
  
     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 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      12.68   12.82
      13.13   13.27
   
         40.50514279 
      17538.09775976 
     -22287.31551438 
       -276.43514621 
       4456.43530550 
      -3757.52896329 
          0.00376943 
       -215.87695645 
       5406.19701560 
        904.08241275 
        904.07864331 
        904.08115627 
   
  
  
      15.86   15.86
      15.86   15.86
   
       -134.26070480 
       -134.26602739 
       -134.26247900 
   
  
  
      16.70   16.70
      16.70   16.70
   
       -271.05657728 
       -271.02859894 
       -271.04725117 
   
  
  
      15.81   15.81
      15.81   15.81
   
       -276.02162100 
       -275.99551889 
       -276.01292030 
   
  
  
      17.15   17.15
      17.31   17.31
   
       -276.17901177 
       -276.15292512 
       -276.17031622 
   
  
  
      17.08   17.07
      17.59   17.58
   
       -269.53674778 
       -269.51893233 
       -269.53080930 
   
  
  
      15.47   15.47
      16.00   16.00
   
       -269.14397288 
       -269.13606198 
       -269.14133591 
   
  
  
      15.58   15.58
      16.12   16.11
   
       -261.92178681 
       -261.95333710 
       -261.93230358 
   
  
  
      15.32   15.31
      15.85   15.85
   
       -261.37113421 
       -261.41468826 
       -261.38565223 
   
  
  
      14.54   14.53
      15.15   15.14
   
       -261.27390289 
       -261.27706271 
       -261.27495616 
   
  
  
      15.08   15.08
      15.66   15.66
   
       -261.07155083 
       -261.02221575 
       -261.05510581 
   
  
  
      14.98   14.98
      15.49   15.49
   
       -261.05461476 
       -261.09466738 
       -261.06796563 
   
  
  
      13.80   13.80
      14.34   14.34
   
       -261.02021344 
       -261.03128390 
       -261.02390360