vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 06 
  12:35:46 
 
 
  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 
    
   
   
           0.31996886       0.48975600       0.54661038 
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           0.40967126       0.51843171       0.41594192 
           0.50314869       0.71468659       0.65551925 
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           0.55664684       0.23329191       0.40693550 
           0.58639606       0.24513050       0.64032979 
           0.21770881       0.26503684       0.57932091 
           0.19125816       0.39822599       0.37959603 
           0.24430075       0.37593063       0.49834041 
           0.55764583       0.33252925       0.52497462 
           0.54497860       0.60140012       0.59280232 
           0.28201857       0.63836315       0.58920172 
           0.66034524       0.50431806       0.38998608 
           0.40540517       0.48289140       0.77046043 
           0.39879123       0.32624232       0.70160981 
           0.43161640       0.61876428       0.38821995 
           0.40422479       0.46349760       0.32611417 
           0.44496633       0.75882394       0.59441424 
           0.55625367       0.79235499       0.66659821 
           0.47665668       0.68637076       0.75760646 
           0.25707864       0.61143196       0.79455535 
           0.20396893       0.74886780       0.71301025 
           0.16271500       0.58234493       0.68495269 
           0.62451826       0.21244225       0.37888838 
           0.52313907       0.27501158       0.32766705 
           0.52314422       0.14154445       0.44075431 
           0.56806939       0.29862829       0.72876969 
           0.65885946       0.23056076       0.63555106 
           0.54960449       0.14723643       0.63564756 
           0.26252834       0.25871968       0.66984214 
           0.22259003       0.16945578       0.52128898 
           0.14764830       0.27572787       0.61350701 
           0.19357135       0.30944936       0.31053737 
           0.21711190       0.48795832       0.32338055 
           0.11969002       0.41670101       0.40489498 
           0.64084471       0.57428087       0.39166791 
           0.63609290       0.41508279       0.43419905 
   
  
  
           1 
           2 
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           4 
           5 
           6 
           7 
           8 
           9 
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          11 
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          25 
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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 
   
  
  
          0.31996886       0.48975600       0.54661038 
          0.49043634       0.46013541       0.54304204 
          0.40302677       0.42986639       0.67551591 
          0.40967126       0.51843171       0.41594192 
          0.50314869       0.71468659       0.65551925 
          0.22359806       0.64428741       0.70108379 
          0.55664684       0.23329191       0.40693550 
          0.58639606       0.24513050       0.64032979 
          0.21770881       0.26503684       0.57932091 
          0.19125816       0.39822599       0.37959603 
          0.24430075       0.37593063       0.49834041 
          0.55764583       0.33252925       0.52497462 
          0.54497860       0.60140012       0.59280232 
          0.28201857       0.63836315       0.58920172 
          0.66034524       0.50431806       0.38998608 
          0.40540517       0.48289140       0.77046043 
          0.39879123       0.32624232       0.70160981 
          0.43161640       0.61876428       0.38821995 
          0.40422479       0.46349760       0.32611417 
          0.44496633       0.75882394       0.59441424 
          0.55625367       0.79235499       0.66659821 
          0.47665668       0.68637076       0.75760646 
          0.25707864       0.61143196       0.79455535 
          0.20396893       0.74886780       0.71301025 
          0.16271500       0.58234493       0.68495269 
          0.62451826       0.21244225       0.37888838 
          0.52313907       0.27501158       0.32766705 
          0.52314422       0.14154445       0.44075431 
          0.56806939       0.29862829       0.72876969 
          0.65885946       0.23056076       0.63555106 
          0.54960449       0.14723643       0.63564756 
          0.26252834       0.25871968       0.66984214 
          0.22259003       0.16945578       0.52128898 
          0.14764830       0.27572787       0.61350701 
          0.19357135       0.30944936       0.31053737 
          0.21711190       0.48795832       0.32338055 
          0.11969002       0.41670101       0.40489498 
          0.64084471       0.57428087       0.39166791 
          0.63609290       0.41508279       0.43419905 
  
 
 
  
      11.92   11.94
      12.33   12.35
   
         21.59967643 
       3908.42120671 
      -6513.76503122 
        267.14782321 
       2545.15452263 
      -2522.51425245 
         -0.00174610 
       -587.39341633 
       3508.37606032 
        627.02484321 
        627.02658931 
        627.02542524 
   
  
  
      15.81   15.82
      15.81   15.82
   
        -69.46208203 
        -69.46279492 
        -69.46231966 
   
  
  
      13.65   13.67
      13.65   13.67
   
       -224.75018418 
       -224.76202334 
       -224.75413056 
   
  
  
      14.56   14.58
      14.56   14.58
   
       -231.80754102 
       -231.81914276 
       -231.81140827 
   
  
  
      15.26   15.28
      15.34   15.36
   
       -232.00785650 
       -232.01945649 
       -232.01172317 
   
  
  
      13.83   13.87
      14.22   14.26
   
       -210.90958367 
       -210.92135354 
       -210.91350696 
   
  
  
      14.60   14.65
      14.99   15.04
   
       -207.94660296 
       -207.95902629 
       -207.95074407 
   
  
  
      14.01   14.05
      14.40   14.45
   
       -207.09614889 
       -207.11160574 
       -207.10130117 
   
  
  
      14.13   14.17
      14.54   14.58
   
       -206.95074003 
       -206.97070263 
       -206.95739423 
   
  
  
      14.43   14.48
      14.85   14.90
   
       -206.92675454 
       -206.95184280 
       -206.93511729 
   
  
  
      15.05   15.12
      15.52   15.59
   
       -206.92413346 
       -206.94853876 
       -206.93226856 
   
  
  
      13.61   13.69
      14.00   14.07
   
       -206.92262708 
       -206.94707111 
       -206.93077509 
   
  
  
      12.96   13.03
      13.36   13.43
   
       -206.92865931 
       -206.95299144 
       -206.93677002 
   
  
  
      13.77   13.83
      14.18   14.24
   
       -206.93774916 
       -206.96276206 
       -206.94608679 
   
  
  
      13.11   13.17
      13.47   13.54
   
       -206.94505421 
       -206.96955728 
       -206.95322190 
   
  
  
      14.18   14.23
      14.60   14.65
   
       -206.94951403 
       -206.97398533 
       -206.95767113 
   
  
  
      14.32   14.37
      14.70   14.76
   
       -206.95256428 
       -206.97723704 
       -206.96078854 
   
  
  
      13.17   13.23
      13.55   13.61
   
       -206.95521344 
       -206.97986380 
       -206.96343023 
   
  
  
      13.59   13.65
      13.99   14.05
   
       -206.95609454 
       -206.98073049 
       -206.96430652 
   
  
  
      13.93   13.98
      14.40   14.45
   
       -206.95657775 
       -206.98116118 
       -206.96477222 
   
  
  
      11.25   11.32
      11.68   11.75
   
       -206.95670790 
       -206.98131780 
       -206.96491120 
   
  
  
      11.14   11.20
      11.62   11.68
   
       -206.95679292 
       -206.98140659 
       -206.96499748 
   
  
  
      11.04   11.11
      11.53   11.61
   
       -206.95682325 
       -206.98143375 
       -206.96502675 
   
  
  
       9.71    9.77
      10.13   10.20
   
       -206.95684740 
       -206.98145935 
       -206.96505138