vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 05 
  20:17:19 
 
 
  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 
    
   
   
           0.36228948       0.44534963       0.55972670 
           0.53355605       0.41950656       0.54390658 
           0.45220763       0.42388205       0.69513440 
           0.44578052       0.46680590       0.42068110 
           0.59843796       0.17685559       0.61699766 
           0.69895561       0.19251911       0.61431106 
           0.22348959       0.58261549       0.66865700 
           0.14948278       0.66805212       0.60692032 
           0.66034635       0.56006868       0.41366846 
           0.66914172       0.59157075       0.65607752 
           0.27396236       0.21779429       0.65256500 
           0.27102364       0.23129832       0.41461706 
           0.29936845       0.29958666       0.53781928 
           0.62103586       0.53388720       0.54427119 
           0.55821038       0.25916775       0.51689900 
           0.29531350       0.57671701       0.57409765 
           0.47136970       0.49420053       0.77437074 
           0.44395312       0.32793030       0.74746630 
           0.45231056       0.57063391       0.38887018 
           0.43914729       0.39982038       0.33468512 
           0.57822518       0.07346194       0.59526726 
           0.57100252       0.20254388       0.71604330 
           0.73146727       0.11893114       0.67997525 
           0.71903344       0.29340906       0.64714145 
           0.72397401       0.17805782       0.51181217 
           0.19899929       0.47979843       0.68995289 
           0.24924144       0.62641931       0.76332406 
           0.09242629       0.67993813       0.67509431 
           0.12591176       0.62021099       0.51393576 
           0.17491025       0.76862642       0.58265484 
           0.66800384       0.66827027       0.39590561 
           0.61695268       0.52017813       0.33476309 
           0.72640840       0.51281538       0.40249735 
           0.63251550       0.57750449       0.74989077 
           0.67791625       0.70029475       0.64081876 
           0.73646444       0.54794039       0.66830958 
           0.29233277       0.27008049       0.74519623 
           0.30823212       0.11912809       0.65110581 
           0.20073333       0.19929402       0.65647650 
           0.30444572       0.13294998       0.40268179 
           0.28312544       0.28876928       0.32266694 
           0.19840376       0.20910018       0.41615537 
           0.45265588       0.61181645       0.68924735 
   
  
  
           1 
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           4 
           5 
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          30 
          31 
          32 
          33 
          34 
          35 
          36 
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          38 
          39 
          40 
          41 
          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 
   
  
  
          0.36228948       0.44534963       0.55972670 
          0.53355605       0.41950656       0.54390658 
          0.45220763       0.42388205       0.69513440 
          0.44578052       0.46680590       0.42068110 
          0.59843796       0.17685559       0.61699766 
          0.69895561       0.19251911       0.61431106 
          0.22348959       0.58261549       0.66865700 
          0.14948278       0.66805212       0.60692032 
          0.66034635       0.56006868       0.41366846 
          0.66914172       0.59157075       0.65607752 
          0.27396236       0.21779429       0.65256500 
          0.27102364       0.23129832       0.41461706 
          0.29936845       0.29958666       0.53781928 
          0.62103586       0.53388720       0.54427119 
          0.55821038       0.25916775       0.51689900 
          0.29531350       0.57671701       0.57409765 
          0.47136970       0.49420053       0.77437074 
          0.44395312       0.32793030       0.74746630 
          0.45231056       0.57063391       0.38887018 
          0.43914729       0.39982038       0.33468512 
          0.57822518       0.07346194       0.59526726 
          0.57100252       0.20254388       0.71604330 
          0.73146727       0.11893114       0.67997525 
          0.71903344       0.29340906       0.64714145 
          0.72397401       0.17805782       0.51181217 
          0.19899929       0.47979843       0.68995289 
          0.24924144       0.62641931       0.76332406 
          0.09242629       0.67993813       0.67509431 
          0.12591176       0.62021099       0.51393576 
          0.17491025       0.76862642       0.58265484 
          0.66800384       0.66827027       0.39590561 
          0.61695268       0.52017813       0.33476309 
          0.72640840       0.51281538       0.40249735 
          0.63251550       0.57750449       0.74989077 
          0.67791625       0.70029475       0.64081876 
          0.73646444       0.54794039       0.66830958 
          0.29233277       0.27008049       0.74519623 
          0.30823212       0.11912809       0.65110581 
          0.20073333       0.19929402       0.65647650 
          0.30444572       0.13294998       0.40268179 
          0.28312544       0.28876928       0.32266694 
          0.19840376       0.20910018       0.41615537 
          0.45265588       0.61181645       0.68924735 
  
 
 
  
      40.39   40.51
      41.06   41.17
   
         24.40464528 
       3617.21282830 
      -6125.53794412 
        283.65953356 
       2410.85780175 
      -2387.44800667 
         -0.00621239 
       -587.48066045 
       3407.80321003 
        643.46519528 
        643.47140767 
        643.46726608 
   
  
  
      50.48   50.48
      50.49   50.48
   
        -57.16263714 
        -57.16757195 
        -57.16428208 
   
  
  
      48.32   48.31
      48.32   48.32
   
       -197.08081943 
       -197.09956020 
       -197.08706635