vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 07 
  20:16:39 
 
 
  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      0.77000000      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 
    
   
   
           0.30782349       0.50997518       0.55764817 
           0.47559366       0.53119889       0.59895321 
           0.37747095       0.49967909       0.71526827 
           0.40772478       0.51363934       0.44175317 
           0.53555680       0.75696024       0.71466118 
           0.19171487       0.69727741       0.63882444 
           0.58653120       0.23225764       0.33929537 
           0.57221249       0.11788367       0.55826845 
           0.19727685       0.29701641       0.63967432 
           0.19734620       0.35195187       0.40338145 
           0.23756409       0.37541477       0.53355840 
           0.61317918       0.22843445       0.48161519 
           0.50344504       0.69259363       0.59761751 
           0.25937976       0.65939864       0.54621159 
           0.55926277       0.43306113       0.63041380 
           0.36609846       0.57068147       0.79710354 
           0.38640131       0.39842976       0.75648716 
           0.41609391       0.60231647       0.37847840 
           0.41580788       0.42351492       0.38028598 
           0.49572409       0.84716433       0.73518862 
           0.60515081       0.78794896       0.69697288 
           0.53193486       0.69141618       0.80342115 
           0.21527615       0.69235797       0.74370932 
           0.17289297       0.80098642       0.61559002 
           0.13244525       0.63233953       0.62906691 
           0.62403874       0.31066863       0.29042759 
           0.51618139       0.25675491       0.33076815 
           0.59627612       0.13566139       0.28992739 
           0.50144883       0.13981596       0.56772749 
           0.60220868       0.11733727       0.65672682 
           0.58083715       0.02113967       0.50850573 
           0.22982868       0.31892421       0.73551513 
           0.20413006       0.18855707       0.61974182 
           0.12505554       0.31844418       0.65053145 
           0.20326809       0.24562653       0.37395764 
           0.23053544       0.41281276       0.32654633 
           0.12555763       0.37808100       0.40282810 
           0.57795274       0.35918010       0.56699951 
           0.68043252       0.22115604       0.48897634 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
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          26 
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          28 
          29 
          30 
          31 
          32 
          33 
          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  
   
   
        60
        -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
  
  
        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
        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
       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  
  
 
 
        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 
   
  
  
          0.30782349       0.50997518       0.55764817 
          0.47559366       0.53119889       0.59895321 
          0.37747095       0.49967909       0.71526827 
          0.40772478       0.51363934       0.44175317 
          0.53555680       0.75696024       0.71466118 
          0.19171487       0.69727741       0.63882444 
          0.58653120       0.23225764       0.33929537 
          0.57221249       0.11788367       0.55826845 
          0.19727685       0.29701641       0.63967432 
          0.19734620       0.35195187       0.40338145 
          0.23756409       0.37541477       0.53355840 
          0.61317918       0.22843445       0.48161519 
          0.50344504       0.69259363       0.59761751 
          0.25937976       0.65939864       0.54621159 
          0.55926277       0.43306113       0.63041380 
          0.36609846       0.57068147       0.79710354 
          0.38640131       0.39842976       0.75648716 
          0.41609391       0.60231647       0.37847840 
          0.41580788       0.42351492       0.38028598 
          0.49572409       0.84716433       0.73518862 
          0.60515081       0.78794896       0.69697288 
          0.53193486       0.69141618       0.80342115 
          0.21527615       0.69235797       0.74370932 
          0.17289297       0.80098642       0.61559002 
          0.13244525       0.63233953       0.62906691 
          0.62403874       0.31066863       0.29042759 
          0.51618139       0.25675491       0.33076815 
          0.59627612       0.13566139       0.28992739 
          0.50144883       0.13981596       0.56772749 
          0.60220868       0.11733727       0.65672682 
          0.58083715       0.02113967       0.50850573 
          0.22982868       0.31892421       0.73551513 
          0.20413006       0.18855707       0.61974182 
          0.12505554       0.31844418       0.65053145 
          0.20326809       0.24562653       0.37395764 
          0.23053544       0.41281276       0.32654633 
          0.12555763       0.37808100       0.40282810 
          0.57795274       0.35918010       0.56699951 
          0.68043252       0.22115604       0.48897634 
  
 
 
  
      17.45   17.57
      17.77   17.90
   
         21.59967643 
       3482.79423679 
      -6103.56495238 
        266.17849867 
       2545.15452263 
      -2522.51425245 
         -0.00268296 
       -568.71603057 
       3508.37606032 
        629.30507648 
        629.30775944 
        629.30597080 
   
  
  
      21.56   21.56
      21.56   21.56
   
        -66.44943521 
        -66.45620512 
        -66.45169185 
   
  
  
      19.12   19.11
      19.12   19.12
   
       -227.96761535 
       -227.98010256 
       -227.97177775 
   
  
  
      20.01   20.00
      20.01   20.00
   
       -235.57173776 
       -235.58334949 
       -235.57560833 
   
  
  
      21.23   21.22
      21.30   21.30
   
       -235.75089114 
       -235.76248708 
       -235.75475645 
   
  
  
      18.62   18.62
      19.03   19.03
   
       -215.38570985 
       -215.39730646 
       -215.38957539 
   
  
  
      19.76   19.76
      20.18   20.17
   
       -212.35074502 
       -212.36234110 
       -212.35461038 
   
  
  
      19.52   19.52
      19.92   19.91
   
       -211.49469949 
       -211.50629567 
       -211.49856489 
   
  
  
      19.27   19.27
      19.68   19.68
   
       -211.32668887 
       -211.33828510 
       -211.33055428 
   
  
  
      19.49   19.48
      19.92   19.92
   
       -211.29899056 
       -211.31058680 
       -211.30285597 
   
  
  
      18.61   18.61
      19.03   19.03
   
       -211.28796863 
       -211.29956491 
       -211.29183405 
   
  
  
      17.97   17.98
      18.36   18.37
   
       -211.28941383 
       -211.30101018 
       -211.29327928