vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 12 19 
  22:12:13 
 
 
  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 
    
   
   
           0.55923093       0.55817439       0.47764137 
           0.60110259       0.61147693       0.35961554 
           0.62729624       0.61158758       0.58367860 
           0.58167855       0.42413952       0.47905087 
           0.42413571       0.58286979       0.48848322 
           0.37836939       0.65135517       0.84763246 
           0.55051769       0.69762444       0.29388898 
           0.63976804       0.77258493       0.24523554 
           0.62427382       0.72824996       0.61095453 
           0.63737113       0.74406624       0.73554578 
           0.68059859       0.36690873       0.44357594 
           0.77129254       0.36688305       0.53177414 
           0.35804301       0.55714213       0.58242856 
           0.28724835       0.66307074       0.62188704 
           0.50217601       0.65753415       0.22660798 
           0.49121960       0.74572880       0.34512592 
           0.60127911       0.83771063       0.19323831 
           0.69779462       0.72465945       0.19296621 
           0.68796282       0.81350997       0.31172123 
           0.69178459       0.77129276       0.56577359 
           0.54399371       0.76542573       0.58314464 
           0.63911542       0.83326370       0.75571409 
           0.71620240       0.70603785       0.76396307 
           0.56833556       0.70467185       0.78059525 
           0.65477431       0.28082357       0.42443612 
           0.71159539       0.40456345       0.36537823 
           0.84366862       0.31913953       0.50228013 
           0.74078858       0.32839085       0.60941290 
           0.79833035       0.45233999       0.55109310 
           0.40773911       0.52484290       0.65266775 
           0.22796960       0.62628180       0.68377942 
           0.23702243       0.68427750       0.54685250 
           0.32544107       0.73298174       0.65175586 
           0.30084389       0.48496911       0.55686406 
   
  
  
           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 
   
  
  
          0.55923093       0.55817439       0.47764137 
          0.60110259       0.61147693       0.35961554 
          0.62729624       0.61158758       0.58367860 
          0.58167855       0.42413952       0.47905087 
          0.42413571       0.58286979       0.48848322 
          0.37836939       0.65135517       0.84763246 
          0.55051769       0.69762444       0.29388898 
          0.63976804       0.77258493       0.24523554 
          0.62427382       0.72824996       0.61095453 
          0.63737113       0.74406624       0.73554578 
          0.68059859       0.36690873       0.44357594 
          0.77129254       0.36688305       0.53177414 
          0.35804301       0.55714213       0.58242856 
          0.28724835       0.66307074       0.62188704 
          0.50217601       0.65753415       0.22660798 
          0.49121960       0.74572880       0.34512592 
          0.60127911       0.83771063       0.19323831 
          0.69779462       0.72465945       0.19296621 
          0.68796282       0.81350997       0.31172123 
          0.69178459       0.77129276       0.56577359 
          0.54399371       0.76542573       0.58314464 
          0.63911542       0.83326370       0.75571409 
          0.71620240       0.70603785       0.76396307 
          0.56833556       0.70467185       0.78059525 
          0.65477431       0.28082357       0.42443612 
          0.71159539       0.40456345       0.36537823 
          0.84366862       0.31913953       0.50228013 
          0.74078858       0.32839085       0.60941290 
          0.79833035       0.45233999       0.55109310 
          0.40773911       0.52484290       0.65266775 
          0.22796960       0.62628180       0.68377942 
          0.23702243       0.68427750       0.54685250 
          0.32544107       0.73298174       0.65175586 
          0.30084389       0.48496911       0.55686406 
  
 
 
  
      13.86   13.94
      15.55   15.64
   
         16.78333521 
       3680.22011390 
      -6497.35336526 
        280.25386498 
       2731.49734365 
      -2727.62239620 
          0.00010195 
       -553.14353845 
       3690.97217068 
        621.60763046 
        621.60752850 
        621.60759647 
   
  
  
      17.68   17.73
      17.68   17.73
   
        -20.89447375 
        -20.89522582 
        -20.89472444 
   
  
  
      15.22   15.28
      15.22   15.29
   
       -194.58085002 
       -194.52954267 
       -194.56374757 
   
  
  
      16.35   16.44
      16.36   16.44
   
       -202.90266799 
       -202.83052070 
       -202.87861889 
   
  
  
      16.81   16.88
      17.02   17.09
   
       -203.05222426 
       -202.98015984 
       -203.02820279 
   
  
  
      15.14   15.23
      16.74   16.83
   
       -186.59584657 
       -186.56767686 
       -186.58645666 
   
  
  
      15.83   15.91
      17.55   17.63
   
       -184.55691310 
       -184.57650458 
       -184.56344359 
   
  
  
      14.87   14.96
      16.52   16.61
   
       -184.11338833 
       -184.14520977 
       -184.12399547 
   
  
  
      14.67   14.76
      16.00   16.09
   
       -184.01752601 
       -184.06706317 
       -184.03403840 
   
  
  
      14.29   14.35
      15.60   15.66
   
       -184.04276769 
       -184.01026285 
       -184.03193274 
   
  
  
      13.47   13.53
      14.76   14.82
   
       -183.99067983 
       -183.99370480 
       -183.99168816 
   
  
  
      14.05   14.13
      15.12   15.20
   
       -183.99998595 
       -183.99055699 
       -183.99684297 
   
  
  
      14.01   14.09
      15.10   15.18
   
       -183.99307925 
       -184.02213131 
       -184.00276327 
   
  
  
      13.42   13.50
      14.51   14.58
   
       -184.01289312 
       -184.05175657 
       -184.02584760 
   
  
  
      13.47   13.54
      14.57   14.64
   
       -184.00696864 
       -184.04699641 
       -184.02031123 
   
  
  
      13.73   13.83
      14.94   15.05
   
       -184.00186510 
       -184.04563046 
       -184.01645356 
   
  
  
      13.92   14.02
      15.11   15.21
   
       -183.99528273 
       -184.03601112 
       -184.00885886 
   
  
  
      14.74   14.82
      16.01   16.10
   
       -183.99284887 
       -184.03404056 
       -184.00657943 
   
  
  
      14.87   14.95
      16.15   16.23
   
       -183.99974304 
       -184.04904170 
       -184.01617593 
   
  
  
      13.19   13.28
      14.66   14.75
   
       -183.99437413 
       -184.03708488 
       -184.00861105 
   
  
  
      13.21   13.30
      14.31   14.40
   
       -183.99955751 
       -184.01616054 
       -184.00509185 
   
  
  
      14.64   14.74
      15.72   15.82
   
       -183.98432447 
       -184.01634315 
       -183.99499736 
   
  
  
      13.25   13.36
      14.47   14.57
   
       -183.98644820 
       -184.02017747 
       -183.99769129 
   
  
  
      13.14   13.21
      14.20   14.27
   
       -183.99596751 
       -184.02925915 
       -184.00706472 
   
  
  
      13.23   13.30
      14.48   14.55
   
       -183.99745190 
       -184.02750451 
       -184.00746944 
   
  
  
      13.54   13.63
      14.89   14.98
   
       -183.95645791 
       -183.97119408 
       -183.96136997 
   
  
  
      13.88   13.95
      15.18   15.25
   
       -183.96111510 
       -183.99717957 
       -183.97313659 
   
  
  
      11.79   11.90
      13.04   13.14
   
       -183.99214254 
       -184.01625596 
       -184.00018034 
   
  
  
      10.96   11.06
      13.26   13.35
   
       -183.99586747 
       -184.02083917 
       -184.00419137 
   
  
  
      10.88   10.94
      12.40   12.46
   
       -183.99618304 
       -184.02108993 
       -184.00448533 
   
  
  
       9.78    9.86
      10.97   11.05
   
       -183.99205617 
       -184.01733820 
       -184.00048351 
   
  
  
      10.60   10.66
      11.91   11.98
   
       -183.97698396 
       -184.01380124 
       -183.98925639 
   
  
  
      10.56   10.63
      11.95   12.03
   
       -183.96768795 
       -184.00722667 
       -183.98086752 
   
  
  
       9.13    9.21
      10.85   10.93
   
       -183.97550770 
       -184.01345603 
       -183.98815714 
   
  
  
       8.73    8.79
      10.31   10.37
   
       -183.97733120 
       -184.01277986 
       -183.98914742 
   
  
  
       7.37    7.44
       8.72    8.80
   
       -183.96947233 
       -184.00101070 
       -183.97998512 
   
  
  
       7.12    7.17
       8.35    8.40
   
       -183.97555261 
       -184.00893964 
       -183.98668162 
   
  
  
       7.09    7.15
       8.09    8.15
   
       -183.97281578 
       -184.00719481 
       -183.98427546 
   
  
  
       7.62    7.66
       8.60    8.65
   
       -183.97285754 
       -184.01061938 
       -183.98544482 
   
  
  
       7.30    7.37
       8.31    8.37
   
       -183.97283309 
       -184.01135044 
       -183.98567221 
   
  
  
       6.73    6.79
       7.76    7.82
   
       -183.97298262 
       -184.01124348 
       -183.98573624