vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 01 15 
  21:52:54 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
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  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
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         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 
   
  
  
          0.99315844       0.36843614       0.27018169 
          0.99315844       0.43635395       0.18684835 
          0.11815844       0.36843614       0.35351502 
          0.11815844       0.43635395       0.10351502 
          0.99443774       0.64100329       0.26743902 
          0.99497494       0.16278723       0.18738300 
          0.11948993       0.64252354       0.35035729 
          0.11997295       0.16279180       0.10283168 
          0.99323535       0.23232676       0.26922474 
          0.99267889       0.57180559       0.18659410 
          0.11825822       0.23240387       0.35415467 
          0.11779713       0.57210720       0.10216260 
          0.99315844       0.50427175       0.27018169 
          0.99315844       0.30051834       0.18684835 
          0.11815844       0.50427175       0.35351502 
          0.11815844       0.30051834       0.10351502 
          0.99315844       0.36843614       0.60351502 
          0.99315844       0.43635395       0.52018169 
          0.11815844       0.36843614       0.68684835 
          0.11815844       0.43635395       0.43684835 
          0.99702590       0.64178637       0.60286877 
          0.99524478       0.16286486       0.52061785 
          0.12085469       0.64104672       0.68856827 
          0.12022386       0.16290529       0.43607007 
          0.99319512       0.23232160       0.60261023 
          0.49305046       0.57407099       0.52167886 
          0.11817924       0.23234692       0.68760102 
          0.11869065       0.57349920       0.43519055 
          0.99315844       0.50427175       0.60351502 
          0.99315844       0.30051834       0.52018169 
          0.11815844       0.50427175       0.68684835 
          0.11815844       0.30051834       0.43684835 
          0.99315844       0.36843614       0.93684835 
          0.99315844       0.43635395       0.85351502 
          0.11815844       0.36843614       0.02018169 
          0.11815844       0.43635395       0.77018169 
          0.99498559       0.64158354       0.93609225 
          0.99519292       0.16288295       0.85400591 
          0.11966490       0.64169282       0.02078420 
          0.12022057       0.16285683       0.76946878 
          0.99322239       0.23233157       0.93605037 
          0.49434438       0.57209709       0.85540208 
          0.11820099       0.23234316       0.02101352 
          0.11845253       0.57193055       0.77016926 
          0.99315844       0.50427175       0.93684835 
          0.99315844       0.30051834       0.85351502 
          0.11815844       0.50427175       0.02018169 
          0.11815844       0.30051834       0.77018169 
          0.24315844       0.36843614       0.27018169 
          0.24315844       0.43635395       0.18684835 
          0.36815844       0.36843614       0.35351502 
          0.36815844       0.43635395       0.10351502 
          0.24433122       0.64072720       0.26629740 
          0.24497261       0.16279189       0.18737932 
          0.36761720       0.64195480       0.35210915 
          0.36996906       0.16279604       0.10282842 
          0.24324886       0.23232628       0.26922996 
          0.24302774       0.57159473       0.18591683 
          0.36826061       0.23240317       0.35415809 
          0.36853009       0.57216506       0.10240636 
          0.24315844       0.50427175       0.27018169 
          0.24315844       0.30051834       0.18684835 
          0.36815844       0.50427175       0.35351502 
          0.36815844       0.30051834       0.10351502 
          0.24315844       0.36843614       0.60351502 
          0.24315844       0.43635395       0.52018169 
          0.36815844       0.36843614       0.68684835 
          0.36815844       0.43635395       0.43684835 
          0.24739750       0.64146847       0.60659539 
          0.24524863       0.16289909       0.52063202 
          0.37068310       0.63981737       0.69231990 
          0.37021154       0.16291647       0.43606220 
          0.24320316       0.23233877       0.60266641 
          0.24350120       0.57317311       0.52094171 
          0.36822470       0.23233701       0.68760776 
          0.36847194       0.57294616       0.43571083 
          0.24315844       0.50427175       0.60351502 
          0.24315844       0.30051834       0.52018169 
          0.36815844       0.50427175       0.68684835 
          0.36815844       0.30051834       0.43684835 
          0.24315844       0.36843614       0.93684835 
          0.24315844       0.43635395       0.85351502 
          0.36815844       0.36843614       0.02018169 
          0.36815844       0.43635395       0.77018169 
          0.24495255       0.64158300       0.93707659 
          0.24519601       0.16290188       0.85401838 
          0.37042998       0.64174392       0.02092833 
          0.37021887       0.16284173       0.76946143 
          0.24322164       0.23233913       0.93609941 
          0.24321508       0.57215499       0.85512364 
          0.36822380       0.23234502       0.02101280 
          0.36913274       0.57097021       0.77221175 
          0.24315844       0.50427175       0.93684835 
          0.24315844       0.30051834       0.85351502 
          0.36815844       0.50427175       0.02018169 
          0.36815844       0.30051834       0.77018169 
          0.49315844       0.36843614       0.27018169 
          0.49315844       0.43635395       0.18684835 
          0.61815844       0.36843614       0.35351502 
          0.61815844       0.43635395       0.10351502 
          0.49413160       0.64206620       0.26952066 
          0.49497590       0.16280146       0.18735347 
          0.62063513       0.64119440       0.35184750 
          0.61997960       0.16279540       0.10282490 
          0.49323535       0.23232676       0.26922474 
          0.49323956       0.57242734       0.18777057 
          0.61825822       0.23240387       0.35415467 
          0.61820087       0.57222724       0.10276229 
          0.49315844       0.50427175       0.27018169 
          0.49315844       0.30051834       0.18684835 
          0.61815844       0.50427175       0.35351502 
          0.61815844       0.30051834       0.10351502 
          0.49315844       0.36843614       0.60351502 
          0.49315844       0.43635395       0.52018169 
          0.61815844       0.36843614       0.68684835 
          0.61815844       0.43635395       0.43684835 
          0.49431808       0.64329671       0.60730534 
          0.49524847       0.16288811       0.52058748 
          0.62126306       0.64137112       0.68880469 
          0.62024472       0.16292637       0.43607796 
          0.49319512       0.23232160       0.60261023 
          0.99392626       0.57244520       0.52064161 
          0.61817924       0.23234692       0.68760102 
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         -3.00000000       0.00000000       0.00010000       0.00010000