vasp 
  6.4.1  
  05Apr23 (build Apr 16 2023 22:14:57) gamma-only                       parallel 
  Lin64 
  2025 10 21 
  19:57:49 
 
 
  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      0.73000000      0.32000000      0.77000000
  Auto
       1
        0.20000000
       1
   F  
   F  
   F  
       1
 
 
  
   
    
           20.00000000       0.00000000       0.00000000 
            0.00000000      15.00000000       0.00000000 
            0.00000000       0.00000000      15.00000000 
    
       4500.00000000 
    
            0.05000000       0.00000000       0.00000000 
            0.00000000       0.06666667       0.00000000 
            0.00000000       0.00000000       0.06666667 
    
   
   
           0.12068032       0.37553238       0.08185441 
           0.54139516       0.95507813       0.60236715 
           0.76621466       0.48181100       0.60614487 
           0.12269995       0.86380722       0.19993438 
           0.74564881       0.54686211       0.67737481 
           0.14752811       0.92433361       0.60392336 
           0.37936725       0.60863699       0.41514368 
           0.31414390       0.65673701       0.83992610 
           0.50084773       0.53003495       0.60742757 
           0.95910739       0.96596337       0.81883675 
           0.99067578       0.91168244       0.71407402 
           0.92614710       0.50251737       0.17305870 
           0.42471438       0.05548746       0.93655727 
           0.06499776       0.19311520       0.20609470 
           0.93570362       0.38813097       0.02088744 
           0.95792820       0.35760419       0.99615463 
           0.24689525       0.19371684       0.65958533 
           0.60057243       0.32132713       0.95368101 
           0.19085509       0.93586994       0.56780327 
           0.17042442       0.91601079       0.93777262 
           0.81181574       0.61810314       0.35989154 
           0.67649575       0.00513807       0.66785136 
           0.91184986       0.68934972       0.77762399 
           0.99038413       0.02206723       0.93264215 
           0.91195453       0.98066891       0.81290523 
           0.54498397       0.49849143       0.03383327 
           0.16818219       0.45026409       0.11912854 
           0.90759956       0.47059019       0.14973809 
           0.38116111       0.37661872       0.79792593 
           0.78950143       0.59020069       0.08592870 
           0.98005173       0.63402894       0.14699332 
           0.75644797       0.03792812       0.17313560 
           0.61275184       0.42910084       0.67409576 
           0.71916095       0.33516997       0.33722401 
           0.10266408       0.88436630       0.63101624 
           0.86765343       0.76438058       0.63257525 
           0.45546227       0.47873482       0.88536658 
   
  
  
           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 
          36 
          37 
  
 
 
  
          1        1        1 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       68
       -1
       -1
        99.00000000
        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
   
   
         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
     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
   
  
  
       98
       80
       80
      196
      160
      160
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        10.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.73000000      0.32000000      0.77000000
      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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000      1.00000000     12.01100000
         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  
    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  
        1
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        72.97297297
         1.00000000
  
  
    F  
    F  
    F  
    F  
         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  
       -1
       -1
    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
        -1.60000002
        -1.60000002
        -1.00000000
    F  
       -1
         0.00000000
        0
        0
       -1
       -1
       -1
        1
        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
  
  
        1
    F  
  
  
    F  
  
 
 
        37 
         4 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       3Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       7O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      21H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       6C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
   
  
 
 
  
   
          20.00000000       0.00000000       0.00000000 
           0.00000000      15.00000000       0.00000000 
           0.00000000       0.00000000      15.00000000 
   
      4500.00000000 
   
           0.05000000       0.00000000       0.00000000 
           0.00000000       0.06666667       0.00000000 
           0.00000000       0.00000000       0.06666667 
   
  
  
          0.12068032       0.37553238       0.08185441 
          0.54139516       0.95507813       0.60236715 
          0.76621466       0.48181100       0.60614487 
          0.12269995       0.86380722       0.19993438 
          0.74564881       0.54686211       0.67737481 
          0.14752811       0.92433361       0.60392336 
          0.37936725       0.60863699       0.41514368 
          0.31414390       0.65673701       0.83992610 
          0.50084773       0.53003495       0.60742757 
          0.95910739       0.96596337       0.81883675 
          0.99067578       0.91168244       0.71407402 
          0.92614710       0.50251737       0.17305870 
          0.42471438       0.05548746       0.93655727 
          0.06499776       0.19311520       0.20609470 
          0.93570362       0.38813097       0.02088744 
          0.95792820       0.35760419       0.99615463 
          0.24689525       0.19371684       0.65958533 
          0.60057243       0.32132713       0.95368101 
          0.19085509       0.93586994       0.56780327 
          0.17042442       0.91601079       0.93777262 
          0.81181574       0.61810314       0.35989154 
          0.67649575       0.00513807       0.66785136 
          0.91184986       0.68934972       0.77762399 
          0.99038413       0.02206723       0.93264215 
          0.91195453       0.98066891       0.81290523 
          0.54498397       0.49849143       0.03383327 
          0.16818219       0.45026409       0.11912854 
          0.90759956       0.47059019       0.14973809 
          0.38116111       0.37661872       0.79792593 
          0.78950143       0.59020069       0.08592870 
          0.98005173       0.63402894       0.14699332 
          0.75644797       0.03792812       0.17313560 
          0.61275184       0.42910084       0.67409576 
          0.71916095       0.33516997       0.33722401 
          0.10266408       0.88436630       0.63101624 
          0.86765343       0.76438058       0.63257525 
          0.45546227       0.47873482       0.88536658 
  
 
 
  
       2.69    2.69
       3.36    3.37
   
          7.95829038 
       -341.81919024 
      -3346.01451528 
        261.63477168 
       3386.16459151 
      -3349.57830902 
          0.02650764 
       -396.44842535 
       4479.85424013 
        701.77796145 
        701.75145381 
        701.76912557 
   
  
  
       4.25    4.25
       4.25    4.25
   
        157.63038849 
        157.63207680 
        157.63095126 
   
  
  
       3.47    3.48
       3.47    3.48
   
        -62.83172773 
        -62.87273242 
        -62.84539596 
   
  
  
       3.78    3.79
       3.78    3.79
   
       -103.90839820 
       -103.88027002 
       -103.89902214 
   
  
  
       3.94    3.95
       4.35    4.36
   
       -107.39889569 
       -107.24364124 
       -107.34714421 
   
  
  
       3.87    3.88
       5.56    5.57
   
       -242.20725478 
       -242.24254710 
       -242.21901889 
   
  
  
       3.87    3.87
       5.58    5.59
   
        -77.78508301 
        -77.71866730 
        -77.76294444 
   
  
  
       4.12    4.13
       5.86    5.87
   
        -79.76551493 
        -79.77918866 
        -79.77007284 
   
  
  
       4.22    4.22
       5.91    5.92
   
        -76.12668907 
        -75.90831761 
        -76.05389858 
   
  
  
       4.10    4.11
       5.90    5.91
   
        -78.94874247 
        -78.68909447 
        -78.86219314 
   
  
  
       4.15    4.16
       5.88    5.89
   
        -74.64328883 
        -74.58374792 
        -74.62344186 
   
  
  
       3.86    3.87
       5.64    5.64
   
        -72.77449849 
        -72.94614535 
        -72.83171411 
   
  
  
       4.22    4.22
       5.90    5.91
   
        -70.16162832 
        -70.05562758 
        -70.12629474 
   
  
  
       3.83    3.83
       5.55    5.56
   
        -70.21372289 
        -69.99387407 
        -70.14043995 
   
  
  
       4.07    4.07
       5.80    5.81
   
        -72.24073961 
        -71.92950479 
        -72.13699467 
   
  
  
       4.50    4.51
       6.25    6.26
   
        -74.37677408 
        -74.01477656 
        -74.25610824 
   
  
  
       3.82    3.83
       5.57    5.58
   
        -70.87266924 
        -70.51609547 
        -70.75381132 
   
  
  
       4.10    4.11
       5.85    5.86
   
        -69.89572179 
        -69.96189420 
        -69.91777926 
   
  
  
       4.02    4.02
       5.74    5.75
   
        -69.63423796 
        -68.91060314 
        -69.39302635 
   
  
  
       4.00    4.00
       5.69    5.70
   
        -69.87363717 
        -69.39685409 
        -69.71470947 
   
  
  
       4.02    4.02
       5.73    5.74
   
        -70.67247465 
        -70.55274381 
        -70.63256437 
   
  
  
       4.41    4.42
       6.17    6.18
   
        -69.58422568 
        -69.11018595 
        -69.42621243 
   
  
  
       4.15    4.16
       5.86    5.87
   
        -69.30741586 
        -68.66457676 
        -69.09313616 
   
  
  
       4.49    4.49
       6.20    6.21
   
        -69.62862112 
        -69.42842999 
        -69.56189074 
   
  
  
       3.97    3.97
       5.69    5.70
   
        -69.33637248 
        -68.76429844 
        -69.14568113 
   
  
  
       4.15    4.16
       5.87    5.88
   
        -69.62881352 
        -69.64835404 
        -69.63532703 
   
  
  
       4.24    4.25
       6.00    6.01
   
        -68.87792371 
        -68.33271988 
        -68.69618910 
   
  
  
       4.39    4.40
       6.22    6.22
   
        -69.01055200 
        -68.63045017 
        -68.88385139 
   
  
  
       3.94    3.95
       5.72    5.73
   
        -68.86424014 
        -68.40941517 
        -68.71263182 
   
  
  
       4.33    4.34
       6.10    6.11
   
        -68.65656306 
        -67.89248077 
        -68.40186896 
   
  
  
       3.92    3.92
       5.69    5.70
   
        -68.66784850 
        -67.89533114 
        -68.41034272 
   
  
  
       4.25    4.25
       6.06    6.07
   
        -68.65289333 
        -67.76143426 
        -68.35574031 
   
  
  
       3.92    3.93
       5.67    5.68
   
        -68.66132246 
        -67.71662816 
        -68.34642436 
   
  
  
       4.04    4.04
       5.85    5.86
   
        -68.67608832 
        -67.78342521 
        -68.37853395 
   
  
  
       4.42    4.42
       6.20    6.21
   
        -68.70912522 
        -67.91749727 
        -68.44524924 
   
  
  
       3.64    3.65
       5.41    5.42
   
        -68.69511391 
        -67.70629786 
        -68.36550856 
   
  
  
       3.86    3.86
       5.67    5.68
   
        -68.72065474 
        -67.71124650 
        -68.38418533 
   
  
  
       3.89    3.90
       5.77    5.78
   
        -68.70993334 
        -67.78122998 
        -68.40036555 
   
  
  
       3.90    3.91
       5.74    5.75
   
        -68.73027232 
        -67.80749823 
        -68.42268096 
   
  
  
       3.90    3.90
       5.76    5.77
   
        -68.71729978 
        -67.76589108 
        -68.40016355 
   
  
  
       4.03    4.03
       5.90    5.91
   
        -68.72496609 
        -67.77586556 
        -68.40859925 
   
  
  
       4.01    4.02
       5.93    5.94
   
        -68.72871259 
        -67.76717266 
        -68.40819928 
   
  
  
       3.80    3.81
       5.79    5.80
   
        -68.72994346 
        -67.77741288 
        -68.41243327 
   
  
  
       3.67    3.68
       5.58    5.59
   
        -68.73003988 
        -67.78054877 
        -68.41354284 
   
  
  
       3.94    3.94
       5.98    5.99
   
        -68.73152861 
        -67.77666540 
        -68.41324088 
   
  
  
       3.25    3.26
       5.15    5.16
   
        -68.73160117 
        -67.78131073 
        -68.41483769 
   
  
  
       2.75    2.76
       4.43    4.44
   
        -68.73242678 
        -67.78645329 
        -68.41710228 
   
  
  
       2.74    2.74
       4.46    4.47
   
        -68.73278578 
        -67.78033757 
        -68.41530304 
   
  
  
       2.62    2.63
       4.41    4.42
   
        -68.73298810 
        -67.77974319 
        -68.41523980 
   
  
  
       2.56    2.56
       4.33    4.34
   
        -68.73312113 
        -67.77881703 
        -68.41501976 
   
  
  
       1.92    1.93
       3.52    3.52
   
        -68.73321238 
        -67.78097537 
        -68.41580005 
   
  
  
       1.82    1.82
       3.36    3.36
   
        -68.73328550 
        -67.78245861 
        -68.41634320 
   
  
  
       1.68    1.68
       3.21    3.21
   
        -68.73332358 
        -67.78209168 
        -68.41624628 
   
  
  
       1.26    1.26
       2.56    2.57
   
        -68.73334474 
        -67.78151750 
        -68.41606900 
   
  
  
       1.22    1.23
       2.40    2.40
   
        -68.73336167 
        -67.78238831 
        -68.41637055