vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 12 14 
  12:39:36 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.73000000      1.11000000      0.77000000      0.32000000      0.75000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           12.83420000       0.00000000       0.00000000 
            0.00000000      11.52270000       0.00000000 
            0.00000000       0.00000000      10.00140000 
    
       1479.05340189 
    
            0.07791682       0.00000000       0.00000000 
            0.00000000       0.08678522       0.00000000 
            0.00000000       0.00000000       0.09998600 
    
   
   
           0.01898136       0.55246752       0.99787249 
           0.33411371       0.77775582       0.61781058 
           0.36147544       0.48351592       0.65970047 
           0.73777418       0.16372457       0.65238649 
           0.13660458       0.38810955       0.10344743 
           0.00628028       0.96153272       0.67855795 
           0.37047117       0.38464969       0.74415781 
           0.02562145       0.40320068       0.39717126 
           0.25337175       0.56108265       0.71619708 
           0.51780701       0.77401500       0.45970705 
           0.44361085       0.50714910       0.51090264 
           0.14876937       0.55448764       0.43211665 
           0.64007272       0.70329874       0.40768089 
           0.41128099       0.72309997       0.71846698 
           0.63842019       0.65864098       0.86620861 
           0.54635985       0.96344137       0.35968059 
           0.61178333       0.77935111       0.50220336 
           0.57151812       0.66042097       0.37404011 
           0.43539712       0.40055760       0.53688080 
           0.39015551       0.56207880       0.34951320 
           0.64859459       0.50738340       0.48561261 
           0.19735603       0.91180988       0.62345352 
           0.30601305       0.72729315       0.60027825 
           0.32233950       0.32622487       0.91188384 
           0.42081854       0.85804846       0.26605974 
           0.58323673       0.43202232       0.19454279 
           0.52681250       0.95741937       0.28896904 
           0.03187095       0.58413719       0.60279681 
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           0.81509217       0.74202656       0.67093664 
           0.65786858       0.79933209       0.84112744 
           0.63929355       0.65495611       0.26978435 
           0.71133107       0.13868010       0.81042432 
           0.95477258       0.95553381       0.52096336 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
  
 
 
  
          1        2        2 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.00000000       0.50000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       87
       -1
       -1
        98.00000000
        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
     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
   
  
  
       64
       56
       50
      128
      112
      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
         0.73000000      1.11000000      0.77000000      0.32000000      0.75000000
      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  
        16.00000000     28.08500000     12.01100000      1.00000000     14.00100000
         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
        25.35520118
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
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         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
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    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  
  
 
 
        35 
         5 
  
   ion
   element
   atomtype
   
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    Si   2
    Si   2
    C    3
    C    3
    C    3
    C    3
    C    3
    C    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    N    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       7O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       6C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      19H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
          12.83420000       0.00000000       0.00000000 
           0.00000000      11.52270000       0.00000000 
           0.00000000       0.00000000      10.00140000 
   
      1479.05340189 
   
           0.07791682       0.00000000       0.00000000 
           0.00000000       0.08678522       0.00000000 
           0.00000000       0.00000000       0.09998600 
   
  
  
          0.01898136       0.55246752       0.99787249 
          0.33411371       0.77775582       0.61781058 
          0.36147544       0.48351592       0.65970047 
          0.73777418       0.16372457       0.65238649 
          0.13660458       0.38810955       0.10344743 
          0.00628028       0.96153272       0.67855795 
          0.37047117       0.38464969       0.74415781 
          0.02562145       0.40320068       0.39717126 
          0.25337175       0.56108265       0.71619708 
          0.51780701       0.77401500       0.45970705 
          0.44361085       0.50714910       0.51090264 
          0.14876937       0.55448764       0.43211665 
          0.64007272       0.70329874       0.40768089 
          0.41128099       0.72309997       0.71846698 
          0.63842019       0.65864098       0.86620861 
          0.54635985       0.96344137       0.35968059 
          0.61178333       0.77935111       0.50220336 
          0.57151812       0.66042097       0.37404011 
          0.43539712       0.40055760       0.53688080 
          0.39015551       0.56207880       0.34951320 
          0.64859459       0.50738340       0.48561261 
          0.19735603       0.91180988       0.62345352 
          0.30601305       0.72729315       0.60027825 
          0.32233950       0.32622487       0.91188384 
          0.42081854       0.85804846       0.26605974 
          0.58323673       0.43202232       0.19454279 
          0.52681250       0.95741937       0.28896904 
          0.03187095       0.58413719       0.60279681 
          0.06190858       0.02963223       0.46231032 
          0.75065669       0.19781064       0.54746236 
          0.81509217       0.74202656       0.67093664 
          0.65786858       0.79933209       0.84112744 
          0.63929355       0.65495611       0.26978435 
          0.71133107       0.13868010       0.81042432 
          0.95477258       0.95553381       0.52096336 
  
 
 
  
       8.66    8.69
      10.22   10.24
   
         24.51578276 
        -89.40179737 
      -3798.89029450 
        303.55512319 
       3490.16182677 
      -3472.22747746 
         -0.00777553 
       -446.85275889 
       4616.30623098 
        627.15885995 
        627.16663548 
        627.16145179 
   
  
  
      12.62   12.64
      12.62   12.64
   
         48.08652717 
         48.10486411 
         48.09263948 
   
  
  
      11.04   11.06
      11.04   11.06
   
        -91.95075666 
        -91.92594926 
        -91.94248753 
   
  
  
      11.37   11.41
      11.37   11.41
   
        -97.03983629 
        -97.00783395 
        -97.02916884 
   
  
  
      11.40   11.43
      11.59   11.62
   
        -97.16209243 
        -97.13037842 
        -97.15152110 
   
  
  
      10.09   10.13
      11.88   11.91
   
        -92.48678871 
        -92.50322200 
        -92.49226647 
   
  
  
      10.32   10.36
      11.90   11.94
   
      -3189.13499620 
      -3189.09777871 
      -3189.12259037 
   
  
  
      10.32   10.36
      11.37   11.41
   
        -45.26071787 
        -45.18878865 
        -45.23674147 
   
  
  
      10.56   10.59
      11.64   11.67
   
        -66.93360468 
        -66.93513147 
        -66.93411361 
   
  
  
      10.29   10.32
      11.24   11.26
   
        -67.79585262 
        -67.78551420 
        -67.79240648 
   
  
  
      10.59   10.63
      11.50   11.54
   
        -67.82395798 
        -67.84284292 
        -67.83025296 
   
  
  
       9.33    9.36
      10.26   10.28
   
        -69.71468352 
        -69.72422707 
        -69.71786471 
   
  
  
      10.27   10.30
      11.07   11.09
   
        -74.86311857 
        -74.89572737 
        -74.87398817 
   
  
  
       9.95    9.97
      10.70   10.72
   
        -76.15815927 
        -76.14925917 
        -76.15519257 
   
  
  
       9.90    9.93
      10.84   10.87
   
        -79.88818614 
        -79.85851883 
        -79.87829703 
   
  
  
       9.87    9.89
      10.72   10.75
   
        -83.47696530 
        -83.46538608 
        -83.47310556 
   
  
  
       9.77    9.79
      10.71   10.74
   
        -89.45650363 
        -89.43947966 
        -89.45082898 
   
  
  
      10.12   10.16
      11.13   11.18
   
        -92.62363487 
        -92.64903321 
        -92.63210099 
   
  
  
      10.40   10.44
      11.34   11.37
   
        -93.36853585 
        -93.39945068 
        -93.37884079 
   
  
  
       9.73    9.76
      10.55   10.58
   
        -98.25733516 
        -98.24993345 
        -98.25486792