vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 01 15 
  20:50:53 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
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  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
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         254 
         255 
         256 
         257 
         258 
         259 
         260 
         261 
         262 
         263 
         264 
         265 
         266 
         267 
         268 
         269 
         270 
         271 
         272 
         273 
         274 
         275 
         276 
         277 
         278 
         279 
         280 
         281 
         282 
         283 
         284 
         285 
         286 
         287 
         288 
         289 
         290 
         291 
         292 
         293 
         294 
         295 
         296 
         297 
         298 
         299 
         300 
         301 
         302 
         303 
         304 
         305 
         306 
         307 
         308 
         309 
         310 
         311 
         312 
         313 
         314 
         315 
         316 
         317 
         318 
         319 
         320 
         321 
  
 
 
  
          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
      753
       -1
       -1
      1184.00000000
        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      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      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      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      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      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      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      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      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  
   
   
       200
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000000
           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
   
  
  
       80
      140
       80
      160
      280
      160
    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      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
  
  
        3
        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  
        -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
        13.50293501
         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  
  
 
 
       321 
         4 
  
   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
    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
    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
    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
    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
    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
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    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
    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
    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
    H    3
    H    3
    H    3
    H    3
    H    3
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
     193Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      52O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      68H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       8C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
   
  
 
 
  
   
          15.46772000       0.00000000       0.00000000 
           0.00000000      28.46772000       0.00000000 
           0.00000000       0.00000000      16.40601000 
   
      7224.07022841 
   
           0.06465077       0.00000000       0.00000000 
           0.00000000       0.03512751       0.00000000 
           0.00000000       0.00000000       0.06095327 
   
  
  
          0.99589506       0.36805079       0.26982366 
          0.99589506       0.43596860       0.18649032 
          0.12089506       0.36805079       0.35315699 
          0.12089506       0.43596860       0.10315699 
          0.99717811       0.64060124       0.26696869 
          0.99770797       0.16239883       0.18702751 
          0.12208790       0.64207427       0.35012363 
          0.12270636       0.16240569       0.10247711 
          0.99597197       0.23194141       0.26886671 
          0.99537972       0.57141756       0.18613842 
          0.12099484       0.23201852       0.35379664 
          0.12062744       0.57177607       0.10183985 
          0.99589506       0.50388640       0.26982366 
          0.99589506       0.30013299       0.18649032 
          0.12089506       0.50388640       0.35315699 
          0.12089506       0.30013299       0.10315699 
          0.99589506       0.36805079       0.60315699 
          0.99589506       0.43596860       0.51982366 
          0.12089506       0.36805079       0.68649032 
          0.12089506       0.43596860       0.43649032 
          0.99982123       0.64151676       0.60250400 
          0.99797973       0.16247854       0.52025920 
          0.12373520       0.64105832       0.68814694 
          0.12296176       0.16251856       0.43571482 
          0.99593174       0.23193625       0.60225220 
          0.49583026       0.57293067       0.52099032 
          0.12091586       0.23196157       0.68724299 
          0.12144799       0.57308146       0.43494705 
          0.99589506       0.50388640       0.60315699 
          0.99589506       0.30013299       0.51982366 
          0.12089506       0.50388640       0.68649032 
          0.12089506       0.30013299       0.43649032 
          0.99589506       0.36805079       0.93649032 
          0.99589506       0.43596860       0.85315699 
          0.12089506       0.36805079       0.01982366 
          0.12089506       0.43596860       0.76982366 
          0.99778648       0.64125805       0.93573585 
          0.99792539       0.16249633       0.85365090 
          0.12258861       0.64135198       0.02036145 
          0.12295591       0.16247119       0.76912071 
          0.99595901       0.23194622       0.93569234 
          0.49707912       0.57172714       0.85486191 
          0.12093761       0.23195781       0.02065549 
          0.12136119       0.57170713       0.76955528 
          0.99589506       0.50388640       0.93649032 
          0.99589506       0.30013299       0.85315699 
          0.12089506       0.50388640       0.01982366 
          0.12089506       0.30013299       0.76982366 
          0.24589506       0.36805079       0.26982366 
          0.24589506       0.43596860       0.18649032 
          0.37089506       0.36805079       0.35315699 
          0.37089506       0.43596860       0.10315699 
          0.24719981       0.64056777       0.26644110 
          0.24770535       0.16240335       0.18702180 
          0.37082933       0.64138193       0.35210473 
          0.37270553       0.16240811       0.10247464 
          0.24598548       0.23194093       0.26887193 
          0.24584662       0.57135683       0.18585916 
          0.37099723       0.23201782       0.35380006 
          0.37120844       0.57180340       0.10208885 
          0.24589506       0.50388640       0.26982366 
          0.24589506       0.30013299       0.18649032 
          0.37089506       0.50388640       0.35315699 
          0.37089506       0.30013299       0.10315699 
          0.24589506       0.36805079       0.60315699 
          0.24589506       0.43596860       0.51982366 
          0.37089506       0.36805079       0.68649032 
          0.37089506       0.43596860       0.43649032 
          0.25030160       0.64170086       0.60615678 
          0.24798934       0.16251099       0.52027249 
          0.37391366       0.63967159       0.69132520 
          0.37295727       0.16252341       0.43570672 
          0.24593978       0.23195342       0.60230838 
          0.24617168       0.57301466       0.52088385 
          0.37096132       0.23195166       0.68724973 
          0.37101636       0.57234977       0.43548370 
          0.24589506       0.50388640       0.60315699 
          0.24589506       0.30013299       0.51982366 
          0.37089506       0.50388640       0.68649032 
          0.37089506       0.30013299       0.43649032 
          0.24589506       0.36805079       0.93649032 
          0.24589506       0.43596860       0.85315699 
          0.37089506       0.36805079       0.01982366 
          0.37089506       0.43596860       0.76982366 
          0.24786809       0.64125563       0.93650994 
          0.24793452       0.16251450       0.85366400 
          0.37323096       0.64135504       0.02052736 
          0.37295551       0.16245155       0.76910404 
          0.24595826       0.23195378       0.93574138 
          0.24609210       0.57180977       0.85458499 
          0.37096042       0.23195967       0.02065477 
          0.37194467       0.57073130       0.77143240 
          0.24589506       0.50388640       0.93649032 
          0.24589506       0.30013299       0.85315699 
          0.37089506       0.50388640       0.01982366 
          0.37089506       0.30013299       0.76982366 
          0.49589506       0.36805079       0.26982366 
          0.49589506       0.43596860       0.18649032 
          0.62089506       0.36805079       0.35315699 
          0.62089506       0.43596860       0.10315699 
          0.49713993       0.64160046       0.26921886 
          0.49770923       0.16240813       0.18700632 
          0.62304732       0.64105181       0.35242333 
          0.62271287       0.16240596       0.10247110 
          0.49597197       0.23194141       0.26886671 
          0.49593623       0.57201818       0.18738746 
          0.62099484       0.23201852       0.35379664 
          0.62098489       0.57185114       0.10252714 
          0.49589506       0.50388640       0.26982366 
          0.49589506       0.30013299       0.18649032 
          0.62089506       0.50388640       0.35315699 
          0.62089506       0.30013299       0.10315699 
          0.49589506       0.36805079       0.60315699 
          0.49589506       0.43596860       0.51982366 
          0.62089506       0.36805079       0.68649032 
          0.62089506       0.43596860       0.43649032 
          0.49732951       0.64208329       0.60537922 
          0.49798900       0.16249144       0.52024973 
          0.62383404       0.64113615       0.68764286 
          0.62297575       0.16253358       0.43572116 
          0.49593174       0.23193625       0.60225220 
          0.99666993       0.57210419       0.52036966 
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