vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 06 
  12:35:48 
 
 
  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      0.77000000      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 
    
   
   
           0.31039393       0.49119399       0.54887874 
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           0.57360179       0.22568685       0.62129207 
           0.19634655       0.27212356       0.59848415 
           0.18143377       0.38532698       0.38053123 
           0.22926262       0.37433742       0.50746623 
           0.53384186       0.30213118       0.51244575 
           0.55512385       0.56989215       0.58408288 
           0.27280574       0.64497891       0.58551270 
           0.71786956       0.51590447       0.44516299 
           0.39766137       0.49566657       0.76849524 
           0.38388076       0.32930073       0.71465529 
           0.41493952       0.61492060       0.38302725 
           0.39080006       0.44903121       0.32809099 
           0.47007453       0.74153146       0.57837382 
           0.58809179       0.76573957       0.62615949 
           0.51002321       0.68763549       0.74480923 
           0.24615473       0.63310791       0.79100394 
           0.19825991       0.76920849       0.70150577 
           0.15204095       0.60551624       0.68395816 
           0.63363902       0.26332147       0.36519193 
           0.52770454       0.31258933       0.30566062 
           0.54200940       0.15030591       0.37075954 
           0.54858196       0.26715925       0.71382604 
           0.64676180       0.22966149       0.62193191 
           0.55226219       0.12123949       0.61351315 
           0.23708505       0.27160640       0.69043736 
           0.20060373       0.17404474       0.54947488 
           0.12618774       0.29120384       0.62464865 
           0.18449939       0.28925235       0.32703318 
           0.21242097       0.46363362       0.31790256 
           0.11097521       0.41135752       0.39721229 
           0.66145518       0.54669920       0.49199076 
           0.74141162       0.45646187       0.50521515 
   
  
  
           1 
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           5 
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           7 
           8 
           9 
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          28 
          29 
          30 
          31 
          32 
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          34 
          35 
          36 
          37 
          38 
          39 
  
 
 
  
          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
       66
       -1
       -1
        92.00000000
        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
     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
           0.00000004
           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
  
  
        3
        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
        23.07692308
         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  
  
 
 
        39 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    N    3
    N    3
    O    4
    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
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       8C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       2N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
       3O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      24H       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 
   
  
  
          0.31039393       0.49119399       0.54887874 
          0.48016254       0.45266341       0.54522463 
          0.39054110       0.43197989       0.68012955 
          0.39664634       0.51410012       0.41584474 
          0.52881765       0.69795104       0.63599683 
          0.21429913       0.66285171       0.69637967 
          0.56156714       0.25446286       0.38102877 
          0.57360179       0.22568685       0.62129207 
          0.19634655       0.27212356       0.59848415 
          0.18143377       0.38532698       0.38053123 
          0.22926262       0.37433742       0.50746623 
          0.53384186       0.30213118       0.51244575 
          0.55512385       0.56989215       0.58408288 
          0.27280574       0.64497891       0.58551270 
          0.71786956       0.51590447       0.44516299 
          0.39766137       0.49566657       0.76849524 
          0.38388076       0.32930073       0.71465529 
          0.41493952       0.61492060       0.38302725 
          0.39080006       0.44903121       0.32809099 
          0.47007453       0.74153146       0.57837382 
          0.58809179       0.76573957       0.62615949 
          0.51002321       0.68763549       0.74480923 
          0.24615473       0.63310791       0.79100394 
          0.19825991       0.76920849       0.70150577 
          0.15204095       0.60551624       0.68395816 
          0.63363902       0.26332147       0.36519193 
          0.52770454       0.31258933       0.30566062 
          0.54200940       0.15030591       0.37075954 
          0.54858196       0.26715925       0.71382604 
          0.64676180       0.22966149       0.62193191 
          0.55226219       0.12123949       0.61351315 
          0.23708505       0.27160640       0.69043736 
          0.20060373       0.17404474       0.54947488 
          0.12618774       0.29120384       0.62464865 
          0.18449939       0.28925235       0.32703318 
          0.21242097       0.46363362       0.31790256 
          0.11097521       0.41135752       0.39721229 
          0.66145518       0.54669920       0.49199076 
          0.74141162       0.45646187       0.50521515 
  
 
 
  
      12.73   12.75
      13.03   13.05
   
         21.59967643 
       3472.09850628 
      -6094.29304983 
        266.15118366 
       2545.15452263 
      -2522.51425245 
         -0.00177430 
       -591.53362866 
       3508.37606032 
        605.03724409 
        605.03901839 
        605.03783552 
   
  
  
      16.03   16.05
      16.03   16.05
   
        -77.24434230 
        -77.25462906 
        -77.24777122 
   
  
  
      13.61   13.63
      13.61   13.64
   
       -227.57392120 
       -227.60010294 
       -227.58264845 
   
  
  
      14.30   14.31
      14.30   14.32
   
       -234.48048756 
       -234.50618891 
       -234.48905467 
   
  
  
      15.31   15.34
      15.41   15.43
   
       -234.68108614 
       -234.70686854 
       -234.68968027 
   
  
  
      13.60   13.67
      13.96   14.03
   
       -214.31422764 
       -214.33879551 
       -214.32241693 
   
  
  
      13.93   13.98
      14.29   14.34
   
       -211.44685098 
       -211.45884348 
       -211.45084848 
   
  
  
      14.00   14.05
      14.38   14.42
   
       -210.60458374 
       -210.62918557 
       -210.61278435 
   
  
  
      14.40   14.45
      14.76   14.82
   
       -210.45669187 
       -210.48089091 
       -210.46475821 
   
  
  
      15.09   15.13
      15.47   15.51
   
       -210.44469495 
       -210.46668664 
       -210.45202551 
   
  
  
      13.62   13.68
      14.00   14.05
   
       -210.43366916 
       -210.45876218 
       -210.44203350 
   
  
  
      14.38   14.45
      14.77   14.86
   
       -210.43261487 
       -210.45844750 
       -210.44122574 
   
  
  
      12.76   12.82
      13.14   13.21
   
       -210.43311855 
       -210.45790014 
       -210.44137908 
   
  
  
      12.92   12.96
      13.30   13.34
   
       -210.43882173 
       -210.46335330 
       -210.44699892 
   
  
  
      14.23   14.29
      14.59   14.66
   
       -210.44542612 
       -210.46971925 
       -210.45352383 
   
  
  
      13.63   13.68
      14.00   14.05
   
       -210.45017104 
       -210.47428346 
       -210.45820852 
   
  
  
      13.34   13.39
      13.71   13.75
   
       -210.45442932 
       -210.47855624 
       -210.46247163 
   
  
  
      13.80   13.85
      14.19   14.24
   
       -210.45697909 
       -210.48106656 
       -210.46500824 
   
  
  
      13.19   13.25
      13.57   13.63
   
       -210.45834020 
       -210.48245065 
       -210.46637702 
   
  
  
      13.34   13.38
      13.72   13.77
   
       -210.45899874 
       -210.48308423 
       -210.46702723 
   
  
  
      11.44   11.49
      11.87   11.92
   
       -210.45920254 
       -210.48329966 
       -210.46723492 
   
  
  
      11.23   11.30
      11.72   11.80
   
       -210.45931048 
       -210.48341030 
       -210.46734375 
   
  
  
      10.58   10.64
      11.06   11.12
   
       -210.45936569 
       -210.48345905 
       -210.46739681 
   
  
  
      10.02   10.09
      10.48   10.55
   
       -210.45938761 
       -210.48348481 
       -210.46742001