vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 12 19 
  22:12:15 
 
 
  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      0.73000000      0.77000000      0.32000000
        0.00300000     -0.04200000     -0.03700000     -0.01500000     -0.00600000     -1.26600000     -0.00200000     -0.00200000     -0.00200000     -0.00400000      0.00000000     -0.00100000      0.00000000      0.00000000     -0.00200000      0.00000000      0.00000000      0.00000000      0.00000000     -0.00100000
      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      0.00000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           12.00000000       0.00000000       0.00000000 
            0.00000000      12.00000000       0.00000000 
            0.00000000       0.00000000      12.00000000 
    
       1728.00000000 
    
            0.08333333       0.00000000       0.00000000 
            0.00000000       0.08333333       0.00000000 
            0.00000000       0.00000000       0.08333333 
    
   
   
           0.56188553       0.55780236       0.47989057 
           0.60236608       0.61329689       0.36355302 
           0.62795500       0.60866550       0.58715984 
           0.58204806       0.42340504       0.47931537 
           0.42408694       0.58161957       0.49101913 
           0.35907081       0.69293149       0.76356985 
           0.54919587       0.69630255       0.29563277 
           0.63612970       0.77331125       0.24595224 
           0.62693465       0.72523199       0.61522970 
           0.64828399       0.74038123       0.73872815 
           0.68212344       0.36707514       0.44511078 
           0.76943404       0.36299919       0.53658708 
           0.36122139       0.55757229       0.58410807 
           0.28037040       0.64945368       0.62234696 
           0.50225760       0.65373956       0.22918340 
           0.48845520       0.74374256       0.34615241 
           0.59587304       0.83608405       0.19246663 
           0.69588273       0.72615019       0.19481442 
           0.68279378       0.81699189       0.31175591 
           0.69096360       0.76917563       0.56586032 
           0.54456165       0.76236398       0.59349837 
           0.65090634       0.82923663       0.75954249 
           0.72895240       0.70227589       0.76143950 
           0.58218762       0.70026646       0.78771689 
           0.65673225       0.28183210       0.42170028 
           0.71629020       0.40743498       0.36963067 
           0.84264349       0.31597113       0.50810154 
           0.73572735       0.32177831       0.61150238 
           0.79594536       0.44757373       0.56020242 
           0.40977612       0.53098501       0.65736635 
           0.22317243       0.62146183       0.67885393 
           0.23650836       0.68068028       0.54207562 
           0.31286104       0.75589856       0.66172680 
           0.30536738       0.48088805       0.56296907 
   
  
  
           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 
  
 
 
  
          2        2        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       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 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.00000000 
          0.00000000       0.50000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.50000000 
  
  
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       63
       -1
       -1
        86.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
          0.00300000     -0.04200000     -0.03700000     -0.01500000     -0.00600000     -1.26600000     -0.00200000     -0.00200000     -0.00200000     -0.00400000      0.00000000     -0.00100000      0.00000000      0.00000000     -0.00200000      0.00000000      0.00000000      0.00000000      0.00000000     -0.00100000
      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      0.00000000
         -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
   
  
  
       60
       60
       60
      120
      120
      120
    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      0.73000000      0.77000000      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     16.00000000     12.01100000      1.00000000
         0.00000000      0.00000000      0.00000000      0.00000000
         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
        30.49411765
         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  
  
 
 
        34 
         4 
  
   ion
   element
   atomtype
   
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    C    3
    C    3
    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
    H    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       5O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       8C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      20H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          12.00000000       0.00000000       0.00000000 
           0.00000000      12.00000000       0.00000000 
           0.00000000       0.00000000      12.00000000 
   
      1728.00000000 
   
           0.08333333       0.00000000       0.00000000 
           0.00000000       0.08333333       0.00000000 
           0.00000000       0.00000000       0.08333333 
   
  
  
          0.56188553       0.55780236       0.47989057 
          0.60236608       0.61329689       0.36355302 
          0.62795500       0.60866550       0.58715984 
          0.58204806       0.42340504       0.47931537 
          0.42408694       0.58161957       0.49101913 
          0.35907081       0.69293149       0.76356985 
          0.54919587       0.69630255       0.29563277 
          0.63612970       0.77331125       0.24595224 
          0.62693465       0.72523199       0.61522970 
          0.64828399       0.74038123       0.73872815 
          0.68212344       0.36707514       0.44511078 
          0.76943404       0.36299919       0.53658708 
          0.36122139       0.55757229       0.58410807 
          0.28037040       0.64945368       0.62234696 
          0.50225760       0.65373956       0.22918340 
          0.48845520       0.74374256       0.34615241 
          0.59587304       0.83608405       0.19246663 
          0.69588273       0.72615019       0.19481442 
          0.68279378       0.81699189       0.31175591 
          0.69096360       0.76917563       0.56586032 
          0.54456165       0.76236398       0.59349837 
          0.65090634       0.82923663       0.75954249 
          0.72895240       0.70227589       0.76143950 
          0.58218762       0.70026646       0.78771689 
          0.65673225       0.28183210       0.42170028 
          0.71629020       0.40743498       0.36963067 
          0.84264349       0.31597113       0.50810154 
          0.73572735       0.32177831       0.61150238 
          0.79594536       0.44757373       0.56020242 
          0.40977612       0.53098501       0.65736635 
          0.22317243       0.62146183       0.67885393 
          0.23650836       0.68068028       0.54207562 
          0.31286104       0.75589856       0.66172680 
          0.30536738       0.48088805       0.56296907 
  
 
 
  
      14.16   14.23
      15.59   15.66
   
         16.78333521 
       3828.98641792 
      -6645.44251904 
        280.77251382 
       2731.49734365 
      -2727.62239620 
          0.00120134 
       -551.91414917 
       3690.97217068 
        624.03391821 
        624.03271687 
        624.03351776 
   
  
  
      17.59   17.63
      17.59   17.63
   
        -18.61957245 
        -18.62178153 
        -18.62030881 
   
  
  
      15.86   15.92
      15.87   15.93
   
       -194.05240438 
       -194.06248069 
       -194.05576315 
   
  
  
      15.54   15.61
      15.55   15.61
   
       -201.53239288 
       -201.55365368 
       -201.53947981 
   
  
  
      16.47   16.51
      16.74   16.79
   
       -201.69861590 
       -201.71997202 
       -201.70573461 
   
  
  
      14.56   14.62
      16.10   16.16
   
       -185.10023724 
       -185.12331887 
       -185.10793112 
   
  
  
      15.31   15.40
      16.90   16.99
   
       -183.44724276 
       -183.45460815 
       -183.44969789 
   
  
  
      14.50   14.55
      16.15   16.21
   
       -183.23806067 
       -183.25132441 
       -183.24248191 
   
  
  
      14.42   14.50
      15.75   15.83
   
       -183.27056679 
       -183.29389772 
       -183.27834377 
   
  
  
      13.82   13.89
      14.96   15.02
   
       -183.27379381 
       -183.28536470 
       -183.27765078 
   
  
  
      13.68   13.75
      14.75   14.83
   
       -183.30836254 
       -183.33224128 
       -183.31632212 
   
  
  
      14.36   14.41
      15.47   15.52
   
       -183.31244025 
       -183.33279751 
       -183.31922600 
   
  
  
      14.25   14.31
      15.30   15.37
   
       -183.29688105 
       -183.31958629 
       -183.30444947 
   
  
  
      13.98   14.13
      15.11   15.26
   
       -183.31719143 
       -183.34105517 
       -183.32514601 
   
  
  
      13.50   13.56
      14.60   14.65
   
       -183.31969521 
       -183.34402872 
       -183.32780638 
   
  
  
      13.74   13.82
      14.82   14.89
   
       -183.32587664 
       -183.35362767 
       -183.33512698 
   
  
  
      14.13   14.24
      15.35   15.46
   
       -183.33235470 
       -183.35964291 
       -183.34145077 
   
  
  
      14.20   14.25
      15.63   15.69
   
       -183.33757693 
       -183.36703760 
       -183.34739715 
   
  
  
      13.68   13.76
      14.87   14.94
   
       -183.33759769 
       -183.36642241 
       -183.34720593 
   
  
  
      14.50   14.55
      15.57   15.61
   
       -183.33716386 
       -183.36524749 
       -183.34652507 
   
  
  
      13.49   13.54
      14.53   14.58
   
       -183.33601046 
       -183.36311208 
       -183.34504433 
   
  
  
      14.51   14.58
      15.52   15.59
   
       -183.33598607 
       -183.36094451 
       -183.34430555 
   
  
  
      13.49   13.57
      14.55   14.63
   
       -183.34241121 
       -183.37328426 
       -183.35270223 
   
  
  
      12.46   12.52
      13.63   13.69
   
       -183.34456357 
       -183.37559844 
       -183.35490853 
   
  
  
      14.35   14.40
      15.36   15.41
   
       -183.34635267 
       -183.38024447 
       -183.35764993 
   
  
  
      13.79   13.87
      15.30   15.38
   
       -183.34737424 
       -183.38068148 
       -183.35847665 
   
  
  
      13.93   13.99
      15.16   15.23
   
       -183.34567760 
       -183.37395010 
       -183.35510176 
   
  
  
      12.62   12.69
      13.96   14.03
   
       -183.34665311 
       -183.36590910 
       -183.35307177 
   
  
  
      11.15   11.23
      13.21   13.29
   
       -183.33252757 
       -183.34143873 
       -183.33549796 
   
  
  
      10.96   11.05
      12.59   12.67
   
       -183.33419916 
       -183.34335335 
       -183.33725056 
   
  
  
      11.19   11.27
      12.48   12.56
   
       -183.34669663 
       -183.36325750 
       -183.35221692 
   
  
  
      10.88   10.93
      12.16   12.21
   
       -183.35247563 
       -183.38489585 
       -183.36328237 
   
  
  
       9.42    9.47
      10.65   10.70
   
       -183.35293519 
       -183.37654195 
       -183.36080411 
   
  
  
       9.05    9.13
      10.94   11.02
   
       -183.35408821 
       -183.38747871 
       -183.36521837 
   
  
  
       8.71    8.77
      10.21   10.26
   
       -183.35461131 
       -183.38815743 
       -183.36579335 
   
  
  
       7.75    7.82
       9.32    9.39
   
       -183.35717905 
       -183.38335015 
       -183.36590275 
   
  
  
       8.08    8.13
       9.13    9.18
   
       -183.35834281 
       -183.38284124 
       -183.36650895 
   
  
  
       7.36    7.41
       8.29    8.34
   
       -183.35915380 
       -183.38369534 
       -183.36733431 
   
  
  
       7.48    7.52
       8.38    8.42
   
       -183.35937172 
       -183.37969667 
       -183.36614670 
   
  
  
       7.25    7.29
       8.21    8.25
   
       -183.35996108 
       -183.38331619 
       -183.36774612 
   
  
  
       7.73    7.81
       8.73    8.82
   
       -183.36026895 
       -183.38401776 
       -183.36818522