vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 12 30 
  17:46:00 
 
 
  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
        2.00000000
       -0.00100000      0.01600000      0.01100000      0.00900000      0.00100000      1.27400000      0.00100000      0.00100000      0.00000000      0.00000000      0.00000000      0.00100000      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      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 
    
   
   
           0.52782957       0.38872452       0.47302597 
           0.57408207       0.45090271       0.36068506 
           0.59576383       0.43559750       0.58432549 
           0.55012470       0.25456900       0.46905164 
           0.39431329       0.41615218       0.48285033 
           0.31739705       0.64641728       0.63891951 
           0.51437244       0.52226935       0.28529725 
           0.59543975       0.60336241       0.23219160 
           0.59985712       0.55036873       0.61502566 
           0.63760900       0.56129327       0.73525119 
           0.65080329       0.19744636       0.43759042 
           0.73020173       0.18282100       0.53521555 
           0.32105184       0.38203524       0.57194835 
           0.21744683       0.44867524       0.57407089 
           0.47376039       0.47001872       0.22132999 
           0.44796789       0.56671604       0.33060460 
           0.55164397       0.65829176       0.17327199 
           0.66110544       0.55857061       0.18671408 
           0.63532087       0.65566931       0.29598090 
           0.65695293       0.59531698       0.55812041 
           0.51572883       0.58878720       0.60404467 
           0.64253101       0.64973742       0.75898484 
           0.72027195       0.52336409       0.74667790 
           0.57884332       0.51937447       0.79177450 
           0.62438090       0.11570497       0.40503257 
           0.69169197       0.24260666       0.36856282 
           0.80491209       0.13665583       0.50850094 
           0.69005190       0.13571347       0.60274641 
           0.75678468       0.26395572       0.56841141 
           0.36533044       0.38666147       0.65254551 
           0.17485874       0.46284078       0.65304042 
           0.17561788       0.47200602       0.49737452 
           0.31510857       0.61408236       0.71527894 
           0.30004953       0.29317788       0.55778994 
   
  
  
           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
       64
       -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  
         -0.00100000      0.01600000      0.01100000      0.00900000      0.00100000      1.27400000      0.00100000      0.00100000      0.00000000      0.00000000      0.00000000      0.00100000      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
          2.00000000
     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
  
  
        4
        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 
   
  
  
          0.52782957       0.38872452       0.47302597 
          0.57408207       0.45090271       0.36068506 
          0.59576383       0.43559750       0.58432549 
          0.55012470       0.25456900       0.46905164 
          0.39431329       0.41615218       0.48285033 
          0.31739705       0.64641728       0.63891951 
          0.51437244       0.52226935       0.28529725 
          0.59543975       0.60336241       0.23219160 
          0.59985712       0.55036873       0.61502566 
          0.63760900       0.56129327       0.73525119 
          0.65080329       0.19744636       0.43759042 
          0.73020173       0.18282100       0.53521555 
          0.32105184       0.38203524       0.57194835 
          0.21744683       0.44867524       0.57407089 
          0.47376039       0.47001872       0.22132999 
          0.44796789       0.56671604       0.33060460 
          0.55164397       0.65829176       0.17327199 
          0.66110544       0.55857061       0.18671408 
          0.63532087       0.65566931       0.29598090 
          0.65695293       0.59531698       0.55812041 
          0.51572883       0.58878720       0.60404467 
          0.64253101       0.64973742       0.75898484 
          0.72027195       0.52336409       0.74667790 
          0.57884332       0.51937447       0.79177450 
          0.62438090       0.11570497       0.40503257 
          0.69169197       0.24260666       0.36856282 
          0.80491209       0.13665583       0.50850094 
          0.69005190       0.13571347       0.60274641 
          0.75678468       0.26395572       0.56841141 
          0.36533044       0.38666147       0.65254551 
          0.17485874       0.46284078       0.65304042 
          0.17561788       0.47200602       0.49737452 
          0.31510857       0.61408236       0.71527894 
          0.30004953       0.29317788       0.55778994 
  
 
 
  
      16.75   16.82
      17.13   17.20
   
         16.78333521 
       3675.89007461 
      -6487.98507509 
        280.41994456 
       2731.49483860 
      -2727.61980099 
          0.00636544 
       -566.60576320 
       3690.97217068 
        613.35608983 
        613.34972439 
        613.35396801 
   
  
  
      20.34   20.37
      20.35   20.37
   
        -25.11130036 
        -25.11899459 
        -25.11386510 
   
  
  
      16.96   16.98
      16.96   16.98
   
       -194.75233428 
       -194.74736703 
       -194.75067853 
   
  
  
      17.76   17.78
      17.76   17.78
   
       -202.65631388 
       -202.64192797 
       -202.65151858 
   
  
  
      18.55   18.57
      18.64   18.66
   
       -202.83350074 
       -202.81902650 
       -202.82867599 
   
  
  
      16.42   16.44
      16.88   16.91
   
       -187.56351149 
       -187.58506745 
       -187.57069681 
   
  
  
      17.49   17.50
      17.97   17.98
   
       -184.92265761 
       -184.94048372 
       -184.92859964 
   
  
  
      16.32   16.34
      16.79   16.81
   
       -184.50324824 
       -184.52654693 
       -184.51101447 
   
  
  
      16.21   16.22
      16.67   16.69
   
       -184.47919362 
       -184.51206535 
       -184.49015086 
   
  
  
      16.45   16.47
      16.93   16.95
   
       -184.46696505 
       -184.48875358 
       -184.47422789 
   
  
  
      16.26   16.28
      16.74   16.76
   
       -184.46442180 
       -184.48819550 
       -184.47234637 
   
  
  
      15.71   15.72
      16.18   16.19
   
       -184.46110642 
       -184.49161201 
       -184.47127495 
   
  
  
      16.58   16.60
      17.07   17.09
   
       -184.45970477 
       -184.48275989 
       -184.46738981 
   
  
  
      15.63   15.66
      16.11   16.13
   
       -184.46050969 
       -184.48413391 
       -184.46838443 
   
  
  
      16.49   16.50
      16.97   16.98
   
       -184.46065582 
       -184.48590647 
       -184.46907271