vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  03:39:46 
 
 
  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      0.32000000
        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      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      0.10700000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      19.66310000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       1632.96160543 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.05085668       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.65934444       0.43886245       0.71735075 
           0.17577130       0.15502840       0.12889197 
           0.28408067       0.83003525       0.71297995 
           0.92138097       0.95182018       0.63520309 
           0.36691836       0.41375676       0.27360559 
           0.35352602       0.39449665       0.17034749 
           0.54959669       0.86311875       0.28422303 
           0.27182291       0.10984457       0.42570611 
           0.27055287       0.01583433       0.94757942 
           0.17896356       0.24933240       0.81641645 
           0.80639454       0.35790250       0.56562606 
           0.13793647       0.03467460       0.97007334 
           0.54182837       0.44065973       0.38192399 
           0.55080750       0.96963735       0.57826954 
           0.68164593       0.71140368       0.74374184 
           0.60785090       0.34703549       0.63364626 
           0.39099336       0.15667132       0.11091787 
           0.42989075       0.86388071       0.43720846 
           0.57848486       0.06721566       0.63327558 
           0.61438510       0.00914075       0.57371433 
           0.81996550       0.66273694       0.53744005 
           0.14176149       0.93245216       0.16105047 
           0.26034077       0.90776060       0.87112683 
           0.46774681       0.93687048       0.32357586 
           0.16477152       0.76871069       0.74858604 
           0.01885717       0.46031083       0.14205506 
           0.17125969       0.26067917       0.80938950 
           0.70250043       0.08407528       0.95226732 
           0.92614743       0.22251778       0.28364100 
           0.68587352       0.12680172       0.91957223 
           0.36515023       0.72067608       0.49567938 
           0.34180535       0.26361959       0.34525107 
           0.14786265       0.37097554       0.46395699 
           0.79706552       0.70749119       0.19003724 
           0.70947547       0.57577479       0.55893797 
   
  
  
           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 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       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       0.00000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       605.39200000
         0.00001000
       38
       10
       88
       -1
       -1
       136.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
          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      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      0.10700000
         -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
   
  
  
       40
       96
       54
       80
      192
      108
    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      0.32000000
      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      1.00000000
         0.00000000      0.00000000      0.00000000
         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
        27.99362752
         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  
  
 
 
        35 
         3 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    O    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      19.66310000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      1632.96160543 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.05085668       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.65934444       0.43886245       0.71735075 
          0.17577130       0.15502840       0.12889197 
          0.28408067       0.83003525       0.71297995 
          0.92138097       0.95182018       0.63520309 
          0.36691836       0.41375676       0.27360559 
          0.35352602       0.39449665       0.17034749 
          0.54959669       0.86311875       0.28422303 
          0.27182291       0.10984457       0.42570611 
          0.27055287       0.01583433       0.94757942 
          0.17896356       0.24933240       0.81641645 
          0.80639454       0.35790250       0.56562606 
          0.13793647       0.03467460       0.97007334 
          0.54182837       0.44065973       0.38192399 
          0.55080750       0.96963735       0.57826954 
          0.68164593       0.71140368       0.74374184 
          0.60785090       0.34703549       0.63364626 
          0.39099336       0.15667132       0.11091787 
          0.42989075       0.86388071       0.43720846 
          0.57848486       0.06721566       0.63327558 
          0.61438510       0.00914075       0.57371433 
          0.81996550       0.66273694       0.53744005 
          0.14176149       0.93245216       0.16105047 
          0.26034077       0.90776060       0.87112683 
          0.46774681       0.93687048       0.32357586 
          0.16477152       0.76871069       0.74858604 
          0.01885717       0.46031083       0.14205506 
          0.17125969       0.26067917       0.80938950 
          0.70250043       0.08407528       0.95226732 
          0.92614743       0.22251778       0.28364100 
          0.68587352       0.12680172       0.91957223 
          0.36515023       0.72067608       0.49567938 
          0.34180535       0.26361959       0.34525107 
          0.14786265       0.37097554       0.46395699 
          0.79706552       0.70749119       0.19003724 
          0.70947547       0.57577479       0.55893797 
  
 
 
  
       5.91    5.97
       6.42    6.47
   
         24.76344702 
        252.45951023 
      -2496.42971529 
       -295.27422163 
       3170.77583059 
      -2609.60722799 
         -0.00314393 
       -186.96496457 
       3755.32434067 
       1615.04385512 
       1615.04699905 
       1615.04490310 
   
  
  
       7.51    7.56
       7.51    7.56
   
        965.29525957 
        965.31552470 
        965.30201461 
   
  
  
       8.56    8.62
       8.56    8.63
   
        808.90988761 
        808.91772401 
        808.91249974 
   
  
  
       8.38    8.44
       8.38    8.44
   
        776.87522230 
        776.86832541 
        776.87292334 
   
  
  
       7.55    7.61
       7.66    7.72
   
        775.64716540 
        775.64107015 
        775.64513365 
   
  
  
       7.76    7.81
       8.33    8.39
   
        735.80887055 
        735.80264700 
        735.80679603 
   
  
  
       7.94    8.00
       8.50    8.56
   
        850.05231168 
        850.05384004 
        850.05282114 
   
  
  
       7.52    7.57
       8.08    8.13
   
        861.05397252 
        861.04698191 
        861.05164232 
   
  
  
       7.35    7.41
       7.93    7.99
   
        856.18185437 
        856.19561499 
        856.18644125 
   
  
  
       7.68    7.74
       8.29    8.35
   
        859.70196636 
        859.74860253 
        859.71751175 
   
  
  
       7.44    7.49
       8.05    8.11
   
        858.30287973 
        858.28753375 
        858.29776441 
   
  
  
       7.52    7.57
       8.10    8.15
   
        821.52035280 
        821.52129782 
        821.52066780 
   
  
  
       7.11    7.17
       7.69    7.75
   
        817.78705052 
        817.75075091 
        817.77495065 
   
  
  
       7.32    7.38
       7.89    7.95
   
        832.35748633 
        832.33039386 
        832.34845551 
   
  
  
       7.17    7.22
       7.74    7.80
   
        849.62954441 
        849.65939343 
        849.63949408 
   
  
  
       7.54    7.61
       8.10    8.18
   
        810.09284762 
        810.11158402 
        810.09909308 
   
  
  
       7.31    7.36
       7.88    7.94
   
        828.00420902 
        827.98753393 
        827.99865065 
   
  
  
       7.43    7.49
       8.03    8.08
   
        841.26564365 
        841.26543927 
        841.26557552 
   
  
  
       7.56    7.62
       8.13    8.19
   
        845.81238285 
        845.81658833 
        845.81378467 
   
  
  
       7.01    7.07
       7.58    7.64
   
        851.85083682 
        851.87802232 
        851.85989866 
   
  
  
       7.11    7.16
       7.68    7.74
   
        850.14168658 
        850.14810974 
        850.14382763 
   
  
  
       7.31    7.38
       7.88    7.95
   
        850.40318693 
        850.39981959 
        850.40206448 
   
  
  
       6.60    6.67
       7.17    7.24
   
        851.36446201 
        851.33912525 
        851.35601642 
   
  
  
       7.01    7.08
       7.58    7.66
   
        853.39030119 
        853.37629190 
        853.38563143 
   
  
  
       7.90    7.95
       8.46    8.52
   
        853.65703364 
        853.64365911 
        853.65257547 
   
  
  
       6.49    6.54
       7.08    7.13
   
        862.71694744 
        862.70728002 
        862.71372497 
   
  
  
       6.71    6.77
       7.29    7.35
   
        864.34024268 
        864.31775031 
        864.33274523