vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 03 19 
  08:05:44 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.45000000      0.75000000      0.32000000      1.11000000      0.73000000      0.77000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            8.99652000       0.00000000       0.00000000 
            0.00000000       8.99652000       0.00000000 
            0.00000000       0.00000000      27.72300000 
    
       2243.82676702 
    
            0.11115409       0.00000000       0.00000000 
            0.00000000       0.11115409       0.00000000 
            0.00000000       0.00000000       0.03607113 
    
   
   
           0.07608946       0.07109733       0.28172288 
           0.37724151       0.57719103       0.61446250 
           0.05811319       0.04431006       0.41626186 
           0.24275613       0.23776400       0.35821172 
           0.00286421       0.20816009       0.68322003 
           0.24275613       0.23776400       0.20523405 
           0.07608946       0.40443067       0.28172288 
           0.34909944       0.38678969       0.48314200 
           0.03447504       0.46787234       0.45390512 
           0.24275613       0.57109733       0.35821172 
           0.67284541       0.26156970       0.45158047 
           0.24275613       0.57109733       0.20523405 
           0.07608946       0.73776400       0.28172288 
           0.33519935       0.73063844       0.43621556 
           0.04720281       0.87644412       0.43651964 
           0.24275613       0.90443067       0.35821172 
           0.92895364       0.83471490       0.63650057 
           0.24275613       0.90443067       0.20523405 
           0.40942280       0.07109733       0.28172288 
           0.67050584       0.42407489       0.74975844 
           0.47709415       0.96877625       0.44303356 
           0.57608946       0.23776400       0.35821172 
           0.60529845       0.84621617       0.44326981 
           0.57608946       0.23776400       0.20523405 
           0.40942280       0.40443067       0.28172288 
           0.13848601       0.17400293       0.65840452 
           0.48340780       0.44330897       0.60853178 
           0.57608946       0.57109733       0.35821172 
           0.24718333       0.32710512       0.46899436 
           0.57608946       0.57109733       0.20523405 
           0.40942280       0.73776400       0.28172288 
           0.44166424       0.74728347       0.51005472 
           0.47832433       0.85360964       0.43896347 
           0.57608946       0.90443067       0.35821172 
           0.63856907       0.48132501       0.54725647 
           0.57608946       0.90443067       0.20523405 
           0.74275613       0.07109733       0.28172288 
           0.94226965       0.41801135       0.48683411 
           0.92076602       0.94379046       0.38389499 
           0.90942280       0.23776400       0.35821172 
           0.57894586       0.30487645       0.64979571 
           0.90942280       0.23776400       0.20523405 
           0.74275613       0.40443067       0.28172288 
           0.05845312       0.51039756       0.51620255 
           0.93425958       0.55644216       0.41947068 
           0.90942280       0.57109733       0.35821172 
           0.43049226       0.56316554       0.45515780 
           0.90942280       0.57109733       0.20523405 
           0.74275613       0.73776400       0.28172288 
           0.91335117       0.02065233       0.56612872 
           0.91968404       0.89254060       0.35749580 
           0.90942280       0.90443067       0.35821172 
           0.71702697       0.74254048       0.70058966 
           0.90942280       0.90443067       0.20523405 
           0.07608946       0.07109733       0.20523405 
           0.38070491       0.43529314       0.76956325 
           0.07608946       0.07109733       0.35821172 
           0.32212886       0.32589422       0.41283182 
           0.94763544       0.91087906       0.56103787 
           0.24275613       0.23776400       0.28172288 
           0.07608946       0.40443067       0.20523405 
           0.39251071       0.36299625       0.76491869 
           0.07608946       0.40443067       0.35821172 
           0.36792474       0.54973284       0.43405969 
           0.06827062       0.42742823       0.50217448 
           0.24275613       0.57109733       0.28172288 
           0.07608946       0.73776400       0.20523405 
           0.58236352       0.72725963       0.69088392 
           0.07608946       0.73776400       0.35821172 
           0.30407222       0.93046476       0.46736125 
           0.03898096       0.87333117       0.52056979 
           0.24275613       0.90443067       0.28172288 
           0.40942280       0.07109733       0.20523405 
           0.55122985       0.04420739       0.68077687 
           0.40942280       0.07109733       0.35821172 
           0.20605128       0.39996089       0.36220916 
           0.52945302       0.89468665       0.53607177 
           0.57608946       0.23776400       0.28172288 
           0.40942280       0.40443067       0.20523405 
           0.37487358       0.51401787       0.64304778 
           0.40942280       0.40443067       0.35821172 
           0.56197974       0.51961533       0.37479123 
           0.45684868       0.43108112       0.40909970 
           0.57608946       0.57109733       0.28172288 
           0.40942280       0.73776400       0.20523405 
           0.45882755       0.73403710       0.71526337 
           0.40942280       0.73776400       0.35821172 
           0.62699386       0.94124271       0.48595840 
           0.44658824       0.79649354       0.50592013 
           0.57608946       0.90443067       0.28172288 
           0.74275613       0.07109733       0.20523405 
           0.94630277       0.34029831       0.68607971 
           0.74275613       0.07109733       0.35821172 
           0.95189663       0.30599994       0.47109858 
           0.88598669       0.08152068       0.62486394 
           0.90942280       0.23776400       0.28172288 
           0.74275613       0.40443067       0.20523405 
           0.96616632       0.47397673       0.67819941 
           0.74275613       0.40443067       0.35821172 
           0.96987378       0.61620867       0.47854301 
           0.92781101       0.42087904       0.51771654 
           0.90942280       0.57109733       0.28172288 
           0.74275613       0.73776400       0.20523405 
           0.91273763       0.89606317       0.59494756 
           0.74275613       0.73776400       0.35821172 
           0.94855879       0.95892299       0.47084471 
           0.15980369       0.06266181       0.61841277 
           0.90942280       0.90443067       0.28172288 
           0.10849507       0.05314872       0.59795332 
           0.68483557       0.12171950       0.73785091 
           0.18694756       0.86700203       0.55043213 
           0.79125185       0.49444055       0.77689958 
           0.44896646       0.10426601       0.03170653 
           0.27150069       0.32525729       0.73767017 
           0.82028716       0.27741696       0.61753727 
           0.97675958       0.65522733       0.67421954 
           0.60325816       0.55504028       0.60011331 
           0.12478316       0.21938331       0.73655523 
           0.29784416       0.91350649       0.74550821 
           0.18886676       0.48810593       0.75988003 
           0.96645476       0.70613208       0.77993329 
           0.68930232       0.83259126       0.64030772 
           0.51546253       0.76022229       0.81715068 
           0.87606489       0.11041197       0.78432174 
           0.79419446       0.10652948       0.78292140 
           0.08878457       0.91161123       0.36054798 
           0.06641230       0.62193254       0.44442019 
           0.56355958       0.95244440       0.66443801 
           0.60207418       0.47013471       0.82721620 
           0.72239048       0.08177298       0.74829008 
           0.01650855       0.06245526       0.69334321 
           0.71377606       0.83506130       0.76987346 
           0.11599225       0.64676495       0.78655889 
           0.83480334       0.64496247       0.80970322 
           0.82541592       0.68655339       0.72498631 
           0.76885965       0.62782352       0.99961192 
           0.20626745       0.88593911       0.90609731 
           0.40976220       0.39007336       0.91411391 
           0.19122872       0.15442313       0.91979193 
           0.30964610       0.39569524       0.21890446 
           0.30478699       0.99554546       0.87411129 
           0.58600900       0.56067905       0.25191055 
           0.31003966       0.59945386       0.64148435 
           0.24928750       0.35246128       0.66623300 
           0.98040807       0.86536834       0.98732859 
           0.53975336       0.82267720       0.87042123 
           0.51850754       0.91204397       0.34305225 
           0.26818896       0.84826763       0.75355670 
           0.62430517       0.44182208       0.86152294 
           0.26742826       0.80848170       0.14556842 
           0.56138176       0.67790916       0.25724611 
           0.65148134       0.06928771       0.24310828 
           0.06918198       0.27435635       0.64325775 
           0.50802737       0.03388246       0.16218062 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
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         146 
         147 
         148 
         149 
         150 
         151 
         152 
         153 
         154 
  
 
 
  
          2        2        1 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.50000000       0.50000000       0.00000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      615
       -1
       -1
      1025.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000     -0.00050000     -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
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
        -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
   
  
  
       48
       48
      140
       96
       96
      280
    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
         1.45000000      0.75000000      0.32000000      1.11000000      0.73000000      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  
        47.88000000     14.00100000      1.00000000     28.08500000     16.00000000     12.01100000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      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
         8.74218221
         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
       60
        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  
  
 
 
       154 
         6 
  
   ion
   element
   atomtype
   
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    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
    Si   4
    O    5
    O    5
    C    6
    C    6
    C    6
    C    6
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      54Ti     47.88000000     12.00000000  PAW_PBE Ti_sv 26Sep2005               
      63N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
      30H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       4C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
   
  
 
 
  
   
           8.99652000       0.00000000       0.00000000 
           0.00000000       8.99652000       0.00000000 
           0.00000000       0.00000000      27.72300000 
   
      2243.82676702 
   
           0.11115409       0.00000000       0.00000000 
           0.00000000       0.11115409       0.00000000 
           0.00000000       0.00000000       0.03607113 
   
  
  
          0.07608946       0.07109733       0.28172288 
          0.37724151       0.57719103       0.61446250 
          0.05811319       0.04431006       0.41626186 
          0.24275613       0.23776400       0.35821172 
          0.00286421       0.20816009       0.68322003 
          0.24275613       0.23776400       0.20523405 
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
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