vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2026 02 01 
  19:42:26 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.73000000      1.11000000      0.77000000      0.32000000      0.75000000
        0.05400000      0.06000000      0.00600000      0.13100000      0.18600000      0.01100000      0.00200000      0.04900000      0.00400000      0.00000000      0.00100000      0.00100000     -0.00100000      0.00300000      0.00100000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
      0.00000000     -0.00300000      0.74600000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           11.00000000       0.00000000       0.00000000 
            0.00000000      10.00000000       0.00000000 
            0.00000000       0.00000000      10.00000000 
    
       1100.00000000 
    
            0.09090909       0.00000000       0.00000000 
            0.00000000       0.10000000       0.00000000 
            0.00000000       0.00000000       0.10000000 
    
   
   
           0.15133858       0.60841810       0.64535460 
           0.18770453       0.97703259       0.48351216 
           0.55203458       0.62324679       0.75321550 
           0.43864365       0.24422968       0.87683526 
           0.25666460       0.11412902       0.10165889 
           0.74050553       0.55591662       0.30699795 
           0.47118887       0.84993666       0.33095150 
           0.69637538       0.61260243       0.98085317 
           0.05283160       0.21278352       0.44307651 
           0.04091882       0.51069241       0.71315315 
           0.38976919       0.03052547       0.92932686 
           0.46375100       0.03073258       0.45314651 
           0.52127731       0.72605849       0.84142745 
           0.15872316       0.94246044       0.21645118 
           0.42636249       0.61403426       0.38983279 
           0.88678492       0.62395520       0.27407533 
           0.80385420       0.89844354       0.99316939 
           0.68071629       0.73594378       0.81251211 
           0.68930531       0.60944219       0.80692335 
           0.28319648       0.43584451       0.34109874 
           0.03934964       0.72977886       0.54133887 
           0.36261923       0.83768255       0.22166644 
           0.20571093       0.47968717       0.15061022 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
  
 
 
  
          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 
          0.50000000       0.00000000       0.50000000 
          0.00000000       0.50000000       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
       40
       -1
       -1
        50.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
          0.05400000      0.06000000      0.00600000      0.13100000      0.18600000      0.01100000      0.00200000      0.04900000      0.00400000      0.00000000      0.00100000      0.00100000     -0.00100000      0.00300000      0.00100000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
      0.00000000     -0.00300000      0.74600000
         -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
           0.00000006
           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
   
  
  
       54
       50
       50
      108
      100
      100
    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
         0.73000000      1.11000000      0.77000000      0.32000000      0.75000000
      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  
        16.00000000     28.08500000     12.01100000      1.00000000     14.00100000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      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
        28.69565217
         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  
  
 
 
        23 
         5 
  
   ion
   element
   atomtype
   
    O    1
    Si   2
    Si   2
    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
    N    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       4C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      15H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
          11.00000000       0.00000000       0.00000000 
           0.00000000      10.00000000       0.00000000 
           0.00000000       0.00000000      10.00000000 
   
      1100.00000000 
   
           0.09090909       0.00000000       0.00000000 
           0.00000000       0.10000000       0.00000000 
           0.00000000       0.00000000       0.10000000 
   
  
  
          0.15133858       0.60841810       0.64535460 
          0.18770453       0.97703259       0.48351216 
          0.55203458       0.62324679       0.75321550 
          0.43864365       0.24422968       0.87683526 
          0.25666460       0.11412902       0.10165889 
          0.74050553       0.55591662       0.30699795 
          0.47118887       0.84993666       0.33095150 
          0.69637538       0.61260243       0.98085317 
          0.05283160       0.21278352       0.44307651 
          0.04091882       0.51069241       0.71315315 
          0.38976919       0.03052547       0.92932686 
          0.46375100       0.03073258       0.45314651 
          0.52127731       0.72605849       0.84142745 
          0.15872316       0.94246044       0.21645118 
          0.42636249       0.61403426       0.38983279 
          0.88678492       0.62395520       0.27407533 
          0.80385420       0.89844354       0.99316939 
          0.68071629       0.73594378       0.81251211 
          0.68930531       0.60944219       0.80692335 
          0.28319648       0.43584451       0.34109874 
          0.03934964       0.72977886       0.54133887 
          0.36261923       0.83768255       0.22166644 
          0.20571093       0.47968717       0.15061022 
  
 
 
  
   
   
   
          8.19223027 
       -513.86162039 
       -888.45418469 
         96.95583317 
       1193.74450417 
      -1163.95454741 
          0.00737249 
       -203.96198476 
       1678.55807637 
        207.22567922 
        207.21830673 
        207.22322172 
   
  
  
   
   
   
         -0.24929399 
         -0.26146528 
         -0.25335109 
   
  
  
   
   
   
        -48.77438581 
        -48.79687567 
        -48.78188243 
   
  
  
   
   
   
        -52.09371854 
        -52.15186600 
        -52.11310103 
   
  
  
   
   
   
        -52.26518271 
        -52.32498516 
        -52.28511686 
   
  
  
   
   
   
        -89.10026215 
        -89.02663632 
        -89.07572021 
   
  
  
   
   
   
        -52.60890042 
        -52.64898897 
        -52.62226327 
   
  
  
   
   
   
        -46.60141270 
        -46.45553118 
        -46.55278553 
   
  
  
   
   
   
        -44.55051971 
        -44.48073086 
        -44.52725676 
   
  
  
   
   
   
        -45.87665582 
        -45.82480463 
        -45.85937209 
   
  
  
   
   
   
        -44.93996626 
        -44.91462261 
        -44.93151838 
   
  
  
   
   
   
        -44.79322505 
        -44.79413689 
        -44.79352900 
   
  
  
   
   
   
        -44.81926382 
        -44.82354442 
        -44.82069068 
   
  
  
   
   
   
        -44.49074501 
        -44.47051213 
        -44.48400071 
   
  
  
   
   
   
        -44.90846167 
        -44.90396433 
        -44.90696256 
   
  
  
   
   
   
        -44.84872054 
        -44.84941153 
        -44.84895087 
   
  
  
   
   
   
        -44.67039890 
        -44.65962758 
        -44.66680846 
   
  
  
   
   
   
        -44.65384269 
        -44.64467008 
        -44.65078515 
   
  
  
   
   
   
        -44.61454592 
        -44.56367345 
        -44.59758843 
   
  
  
   
   
   
        -44.71154606 
        -44.65575995 
        -44.69295069 
   
  
  
   
   
   
        -44.65721933 
        -44.58651972 
        -44.63365279 
   
  
  
   
   
   
        -44.62853249 
        -44.56981485 
        -44.60895994 
   
  
  
   
   
   
        -45.14135732 
        -45.09256363 
        -45.12509276 
   
  
  
   
   
   
        -45.31095928 
        -45.26732531 
        -45.29641462 
   
  
  
   
   
   
        -45.29400184 
        -45.24458482 
        -45.27752950 
   
  
  
   
   
   
        -45.29033977 
        -45.24361692 
        -45.27476549 
   
  
  
   
   
   
        -45.29241442 
        -45.25306973 
        -45.27929952 
   
  
  
   
   
   
        -45.25951768 
        -45.21736084 
        -45.24546540 
   
  
  
   
   
   
        -45.38286929 
        -45.30254254 
        -45.35609371 
   
  
  
   
   
   
        -45.38987314 
        -45.30862389 
        -45.36279005 
   
  
  
   
   
   
        -45.43877979 
        -45.35151583 
        -45.40969181 
   
  
  
   
   
   
        -45.97414348 
        -45.87847515 
        -45.94225404 
   
  
  
   
   
   
        -44.71819173 
        -44.68063063 
        -44.70567137 
   
  
  
   
   
   
        -40.54055083 
        -40.53759678 
        -40.53956615 
   
  
  
   
   
   
        -40.07204167 
        -40.06792055 
        -40.07066796 
   
  
  
   
   
   
        -39.35583498 
        -39.34841567 
        -39.35336188 
   
  
  
   
   
   
        -39.53927575 
        -39.53791377 
        -39.53882176 
   
  
  
   
   
   
        -39.71934400 
        -39.72072861 
        -39.71980554 
   
  
  
   
   
   
        -39.31307421 
        -39.31052184 
        -39.31222342 
   
  
  
   
   
   
        -41.91872166 
        -41.88283037 
        -41.90675789 
   
  
  
   
   
   
        -42.76396226 
        -42.75056691 
        -42.75949714 
   
  
  
   
   
   
        -42.57860725 
        -42.55195934 
        -42.56972462 
   
  
  
   
   
   
        -42.28431516 
        -42.26346078 
        -42.27736370 
   
  
  
   
   
   
        -43.03312949 
        -42.99153216 
        -43.01926372 
   
  
  
   
   
   
        -43.20301151 
        -43.16707244 
        -43.19103182 
   
  
  
   
   
   
        -43.41098938 
        -43.39501435 
        -43.40566437 
   
  
  
   
   
   
        -43.69626355 
        -43.68313288 
        -43.69188666 
   
  
  
   
   
   
        -44.14482867 
        -44.12874918 
        -44.13946884 
   
  
  
   
   
   
        -45.23949351 
        -45.22566621 
        -45.23488441 
   
  
  
   
   
   
        -44.96705642 
        -44.94813721 
        -44.96075001 
   
  
  
   
   
   
        -44.92878770 
        -44.86716699 
        -44.90824746 
   
  
  
   
   
   
        -45.65951431 
        -45.59670744 
        -45.63857869 
   
  
  
   
   
   
        -46.28529008 
        -46.26406368 
        -46.27821461 
   
  
  
   
   
   
        -46.23489412 
        -46.21486018 
        -46.22821614 
   
  
  
   
   
   
        -46.02243440 
        -46.00081312 
        -46.01522731 
   
  
  
   
   
   
        -36.39000006 
        -36.41583220 
        -36.39861078 
   
  
  
   
   
   
        -35.02609766 
        -35.03430101 
        -35.02883211 
   
  
  
   
   
   
        -35.20577261 
        -35.21413429 
        -35.20855983 
   
  
  
   
   
   
        -33.31333563 
        -33.32584019 
        -33.31750382 
   
  
  
   
   
   
        -22.16189271 
        -22.19624402 
        -22.17334315 
   
  
  
   
   
   
        -26.46579710 
        -26.48834774 
        -26.47331398 
   
  
  
   
   
   
        -26.89588888 
        -26.91686857 
        -26.90288211 
   
  
  
   
   
   
        -27.00180639 
        -27.02274617 
        -27.00878632 
   
  
  
   
   
   
        -27.16583224 
        -27.18757754 
        -27.17308067 
   
  
  
   
   
   
        -26.67747490 
        -26.69954873 
        -26.68483284 
   
  
  
   
   
   
        -40.43636376 
        -40.42941120 
        -40.43404624 
   
  
  
   
   
   
        -40.13114484 
        -40.11792393 
        -40.12673787 
   
  
  
   
   
   
        -41.45812517 
        -41.45206436 
        -41.45610490 
   
  
  
   
   
   
        -42.89150090 
        -42.88591462 
        -42.88963880 
   
  
  
   
   
   
        -47.80444219 
        -47.78770796 
        -47.79886411 
   
  
  
   
   
   
        -46.41423462 
        -46.38150479 
        -46.40332468 
   
  
  
   
   
   
        -48.14648015 
        -48.11620226 
        -48.13638752 
   
  
  
   
   
   
        -48.23626361 
        -48.22043862 
        -48.23098861 
   
  
  
   
   
   
        -47.49172998 
        -47.46126720 
        -47.48157572 
   
  
  
   
   
   
        -47.43449058 
        -47.41280341 
        -47.42726152 
   
  
  
   
   
   
        -40.89652291 
        -40.88485112 
        -40.89263232 
   
  
  
   
   
   
        -37.56426843 
        -37.57984268 
        -37.56945985 
   
  
  
   
   
   
        -36.63025467 
        -36.61288649 
        -36.62446528 
   
  
  
   
   
   
        -35.61885070 
        -35.57711682 
        -35.60493941 
   
  
  
   
   
   
        -34.68009641 
        -34.61117987 
        -34.65712423 
   
  
  
   
   
   
       -134.38559206 
       -134.36263323 
       -134.37793912 
   
  
  
   
   
   
        -30.94703722 
        -30.89768385 
        -30.93058610 
   
  
  
   
   
   
        -37.10335653 
        -37.04927896 
        -37.08533067 
   
  
  
   
   
   
        -39.64945806 
        -39.59063356 
        -39.62984990 
   
  
  
   
   
   
        -40.80077323 
        -40.74388256 
        -40.78180967 
   
  
  
   
   
   
        -46.05002944 
        -46.06253826 
        -46.05419905 
   
  
  
   
   
   
        -47.00980600 
        -47.02318954 
        -47.01426718 
   
  
  
   
   
   
        -47.11054896 
        -47.12019577 
        -47.11376456 
   
  
  
   
   
   
        -47.14535132 
        -47.14527486 
        -47.14532583 
   
  
  
   
   
   
        -46.78052904 
        -46.77388074 
        -46.77831294 
   
  
  
   
   
   
        -47.34582367 
        -47.37300411 
        -47.35488381 
   
  
  
   
   
   
        -47.44285085 
        -47.47107554 
        -47.45225908 
   
  
  
   
   
   
        -47.44731155 
        -47.47590452 
        -47.45684254 
   
  
  
   
   
   
        -47.44449337 
        -47.47414759 
        -47.45437811 
   
  
  
   
   
   
        -47.57785652 
        -47.59635928 
        -47.58402411 
   
  
  
   
   
   
        -46.70492720 
        -46.68021332 
        -46.69668924 
   
  
  
   
   
   
        -47.44073086 
        -47.39402212 
        -47.42516128 
   
  
  
   
   
   
        -46.75014528 
        -46.71689568 
        -46.73906208 
   
  
  
   
   
   
        -46.27648292 
        -46.24890074 
        -46.26728886 
   
  
  
   
   
   
        -46.25514413 
        -46.23166658 
        -46.24731828 
   
  
  
   
   
   
        -46.53682938 
        -46.50344643 
        -46.52570173 
   
  
  
   
   
   
        -46.37208476 
        -46.31862049 
        -46.35426334 
   
  
  
   
   
   
        -46.38045826 
        -46.33464663 
        -46.36518772 
   
  
  
   
   
   
        -46.38448528 
        -46.33467060 
        -46.36788039 
   
  
  
   
   
   
        -46.38580641 
        -46.34068685 
        -46.37076655 
   
  
  
   
   
   
        -46.39223501 
        -46.38146619 
        -46.38864541 
   
  
  
   
   
   
        -46.31129239 
        -46.30561194 
        -46.30939891 
   
  
  
   
   
   
        -46.29253622 
        -46.28838235 
        -46.29115160 
   
  
  
   
   
   
        -46.45402635 
        -46.45208830 
        -46.45338033 
   
  
  
   
   
   
        -46.42036689 
        -46.41661114 
        -46.41911498 
   
  
  
   
   
   
        -44.69756607 
        -44.67694826 
        -44.69069347 
   
  
  
   
   
   
        -46.57248464 
        -46.56557565 
        -46.57018164 
   
  
  
   
   
   
        -46.62152260 
        -46.60161787 
        -46.61488769 
   
  
  
   
   
   
        -45.92900230 
        -45.90978039 
        -45.92259499 
   
  
  
   
   
   
        -45.02054234 
        -44.97247773 
        -45.00452080 
   
  
  
   
   
   
        -46.69489546 
        -46.66172136 
        -46.68383743 
   
  
  
   
   
   
        -46.65811494 
        -46.63792000 
        -46.65138330 
   
  
  
   
   
   
        -48.63965557 
        -48.62085013 
        -48.63338709 
   
  
  
   
   
   
        -46.51209967 
        -46.49141028 
        -46.50520321 
   
  
  
   
   
   
        -46.78052012 
        -46.75928092 
        -46.77344039 
   
  
  
   
   
   
        -46.02905670 
        -45.97444953 
        -46.01085431 
   
  
  
   
   
   
        -46.89700078 
        -46.83026991 
        -46.87475716 
   
  
  
   
   
   
        -46.77410786 
        -46.70695226 
        -46.75172266 
   
  
  
   
   
   
        -46.84724358 
        -46.78665369 
        -46.82704695 
   
  
  
   
   
   
        -46.72125246 
        -46.66465348 
        -46.70238613 
   
  
  
   
   
   
        -46.90856163 
        -46.86101737 
        -46.89271354 
   
  
  
   
   
   
        -47.07799416 
        -47.02644979 
        -47.06081270 
   
  
  
   
   
   
        -47.06254062 
        -47.00321754 
        -47.04276626 
   
  
  
   
   
   
      -1342.86423124 
      -1342.83430183 
      -1342.85425477 
   
  
  
   
   
   
        -37.07890308 
        -37.06389720 
        -37.07390112 
   
  
  
   
   
   
        -45.10140887 
        -45.06646041 
        -45.08975939 
   
  
  
   
   
   
        -46.69690352 
        -46.63717932 
        -46.67699546 
   
  
  
   
   
   
        -46.93439102 
        -46.88156607 
        -46.91678271 
   
  
  
   
   
   
        -46.94103457 
        -46.89390260 
        -46.92532391 
   
  
  
   
   
   
        -46.93868467 
        -46.89878907 
        -46.92538614 
   
  
  
   
   
   
        -46.64704488 
        -46.63582126 
        -46.64330368 
   
  
  
   
   
   
        -46.51472097 
        -46.50751924 
        -46.51232039 
   
  
  
   
   
   
        -46.50232097 
        -46.49520549 
        -46.49994914 
   
  
  
   
   
   
        -46.50470193 
        -46.49883932 
        -46.50274773 
   
  
  
   
   
   
        -46.51285678 
        -46.50778295 
        -46.51116550 
   
  
  
   
   
   
        -46.93382804 
        -46.90315070 
        -46.92360226 
   
  
  
   
   
   
        -47.08602270 
        -47.04851465 
        -47.07352002 
   
  
  
   
   
   
        -47.10188453 
        -47.07616179 
        -47.09331028 
   
  
  
   
   
   
        -47.11080046 
        -47.08346149 
        -47.10168747 
   
  
  
   
   
   
        -47.20302947 
        -47.18968287 
        -47.19858060 
   
  
  
   
   
   
        -47.30835467 
        -47.29743053 
        -47.30471329 
   
  
  
   
   
   
        -47.32131597 
        -47.31492610 
        -47.31918601 
   
  
  
   
   
   
        -47.41349692 
        -47.40212267 
        -47.40970550 
   
  
  
   
   
   
        -47.41199008 
        -47.40050811 
        -47.40816275 
   
  
  
   
   
   
        -47.38539644 
        -47.37366702 
        -47.38148663 
   
  
  
   
   
   
        -47.44656585 
        -47.42944014 
        -47.44085728