vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 05 
  20:17:20 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.77000000      0.75000000      0.73000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           15.00000000       0.00000000       0.00000000 
            0.00000000      10.00000000       0.00000000 
            0.00000000       0.00000000      10.00000000 
    
       1500.00000000 
    
            0.06666667       0.00000000       0.00000000 
            0.00000000       0.10000000       0.00000000 
            0.00000000       0.00000000       0.10000000 
    
   
   
           0.32767875       0.45061981       0.48275864 
           0.53151440       0.42722119       0.55192351 
           0.47802346       0.46142207       0.71836193 
           0.44480582       0.46415026       0.42205120 
           0.59911523       0.17930501       0.61948793 
           0.69995510       0.19631422       0.62029439 
           0.23026171       0.58435167       0.67390510 
           0.15287546       0.65788896       0.60690858 
           0.66001341       0.56581603       0.41244731 
           0.66839808       0.59252393       0.65429347 
           0.27133338       0.21975273       0.64578283 
           0.25826445       0.21875449       0.40431119 
           0.28906532       0.29159774       0.52224576 
           0.61960613       0.53829430       0.54136307 
           0.55606377       0.26697445       0.52810520 
           0.30493706       0.57089712       0.58851844 
           0.51990859       0.46759115       0.80885316 
           0.42480860       0.39063781       0.74713693 
           0.45470449       0.56534428       0.38179695 
           0.44951960       0.39338550       0.33830643 
           0.58154259       0.07640141       0.59019552 
           0.57145174       0.19601831       0.71994881 
           0.73102054       0.12128094       0.68635915 
           0.71936508       0.29628604       0.65657560 
           0.72799460       0.18331033       0.51937111 
           0.20864868       0.48445163       0.70719864 
           0.25386804       0.64071936       0.76157078 
           0.09746657       0.67346839       0.67767572 
           0.12734374       0.60018738       0.52176950 
           0.17329731       0.75722292       0.57100728 
           0.66848171       0.67453650       0.39639395 
           0.61771537       0.52782963       0.33086055 
           0.72651365       0.51911875       0.40078291 
           0.63190282       0.57458666       0.74755425 
           0.67724703       0.70183904       0.64368961 
           0.73570376       0.54795449       0.66544429 
           0.29689956       0.27430448       0.73273778 
           0.30309283       0.11961807       0.64545410 
           0.19891139       0.20447913       0.66196628 
           0.29115943       0.12033220       0.39579524 
           0.27368027       0.27742236       0.31394287 
           0.18513527       0.20349297       0.40620678 
           0.44346934       0.56009750       0.71130589 
   
  
  
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          36 
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          38 
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          42 
          43 
  
 
 
  
          2        3        3 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.33333333       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 
          0.00000000       0.33333333       0.00000000 
          0.00000000       0.00000000       0.33333333 
          0.50000000       0.33333333       0.00000000 
          0.50000000       0.00000000       0.33333333 
          0.00000000       0.33333333       0.33333333 
          0.00000000      -0.33333333       0.33333333 
          0.50000000       0.33333333       0.33333333 
          0.50000000      -0.33333333       0.33333333 
  
  
          0.05555556 
          0.05555556 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       92
       -1
       -1
        97.00000000
        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  
          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
           0.00000003
           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
   
  
  
       80
       50
       50
      160
      100
      100
    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      0.77000000      0.75000000      0.73000000      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     12.01100000     14.00100000     16.00000000      1.00000000
         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
        20.93023256
         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  
  
 
 
        43 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    N    3
    N    3
    O    4
    O    4
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      10C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       2N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
       2O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      27H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          15.00000000       0.00000000       0.00000000 
           0.00000000      10.00000000       0.00000000 
           0.00000000       0.00000000      10.00000000 
   
      1500.00000000 
   
           0.06666667       0.00000000       0.00000000 
           0.00000000       0.10000000       0.00000000 
           0.00000000       0.00000000       0.10000000 
   
  
  
          0.32767875       0.45061981       0.48275864 
          0.53151440       0.42722119       0.55192351 
          0.47802346       0.46142207       0.71836193 
          0.44480582       0.46415026       0.42205120 
          0.59911523       0.17930501       0.61948793 
          0.69995510       0.19631422       0.62029439 
          0.23026171       0.58435167       0.67390510 
          0.15287546       0.65788896       0.60690858 
          0.66001341       0.56581603       0.41244731 
          0.66839808       0.59252393       0.65429347 
          0.27133338       0.21975273       0.64578283 
          0.25826445       0.21875449       0.40431119 
          0.28906532       0.29159774       0.52224576 
          0.61960613       0.53829430       0.54136307 
          0.55606377       0.26697445       0.52810520 
          0.30493706       0.57089712       0.58851844 
          0.51990859       0.46759115       0.80885316 
          0.42480860       0.39063781       0.74713693 
          0.45470449       0.56534428       0.38179695 
          0.44951960       0.39338550       0.33830643 
          0.58154259       0.07640141       0.59019552 
          0.57145174       0.19601831       0.71994881 
          0.73102054       0.12128094       0.68635915 
          0.71936508       0.29628604       0.65657560 
          0.72799460       0.18331033       0.51937111 
          0.20864868       0.48445163       0.70719864 
          0.25386804       0.64071936       0.76157078 
          0.09746657       0.67346839       0.67767572 
          0.12734374       0.60018738       0.52176950 
          0.17329731       0.75722292       0.57100728 
          0.66848171       0.67453650       0.39639395 
          0.61771537       0.52782963       0.33086055 
          0.72651365       0.51911875       0.40078291 
          0.63190282       0.57458666       0.74755425 
          0.67724703       0.70183904       0.64368961 
          0.73570376       0.54795449       0.66544429 
          0.29689956       0.27430448       0.73273778 
          0.30309283       0.11961807       0.64545410 
          0.19891139       0.20447913       0.66196628 
          0.29115943       0.12033220       0.39579524 
          0.27368027       0.27742236       0.31394287 
          0.18513527       0.20349297       0.40620678 
          0.44346934       0.56009750       0.71130589 
  
 
 
  
      39.98   40.09
      40.63   40.73
   
         24.40464528 
       3495.22883478 
      -5999.75673853 
        283.54845967 
       2410.85780175 
      -2387.44800667 
         -0.00889716 
       -593.73187162 
       3407.80321003 
        640.89743753 
        640.90633469 
        640.90040325 
   
  
  
      50.33   50.32
      50.33   50.32
   
        -58.22790656 
        -58.23124044 
        -58.22901786 
   
  
  
      47.18   47.17
      47.18   47.17
   
       -197.73845522 
       -197.74430934 
       -197.74040660