vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 03 12 
  21:50:08 
 
 
  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 
    
   
   
           0.08024950       0.07254157       0.28375867 
           0.24823671       0.24098193       0.51445425 
           0.08002570       0.07259818       0.43761672 
           0.24691617       0.23920824       0.36024751 
           0.08191119       0.07298728       0.59834598 
           0.24691617       0.23920824       0.20726984 
           0.08024950       0.40587491       0.28375867 
           0.24744138       0.57054811       0.51473801 
           0.08063115       0.40581044       0.43778960 
           0.24691617       0.57254157       0.36024751 
           0.08191234       0.40621431       0.59697471 
           0.24691617       0.57254157       0.20726984 
           0.08024950       0.73920824       0.28375867 
           0.24592560       0.90460362       0.51387576 
           0.08030796       0.73915171       0.43746376 
           0.24691617       0.90587491       0.36024751 
           0.07929806       0.74106306       0.59846373 
           0.24691617       0.90587491       0.20726984 
           0.41358284       0.07254157       0.28375867 
           0.57856360       0.23922946       0.51374744 
           0.41312940       0.07286407       0.43798025 
           0.58024950       0.23920824       0.36024751 
           0.41526607       0.07096271       0.59360525 
           0.58024950       0.23920824       0.20726984 
           0.41358284       0.40587491       0.28375867 
           0.57780155       0.57077020       0.51436864 
           0.41298572       0.40608966       0.43679028 
           0.58024950       0.57254157       0.36024751 
           0.42325552       0.38136622       0.61435795 
           0.58024950       0.57254157       0.20726984 
           0.41358284       0.73920824       0.28375867 
           0.58208209       0.90478585       0.51376535 
           0.41388543       0.73831739       0.43773949 
           0.58024950       0.90587491       0.36024751 
           0.41296192       0.73463760       0.59674408 
           0.58024950       0.90587491       0.20726984 
           0.74691617       0.07254157       0.28375867 
           0.91433135       0.23843473       0.51410450 
           0.74800662       0.07175041       0.43749236 
           0.91358284       0.23920824       0.36024751 
           0.74842504       0.07069138       0.59694617 
           0.91358284       0.23920824       0.20726984 
           0.74691617       0.40587491       0.28375867 
           0.91354071       0.57462720       0.51404243 
           0.74604853       0.40569974       0.43808486 
           0.91358284       0.57254157       0.36024751 
           0.74277556       0.40668226       0.59387916 
           0.91358284       0.57254157       0.20726984 
           0.74691617       0.73920824       0.28375867 
           0.91435535       0.90556638       0.51373979 
           0.74687648       0.73915264       0.43739419 
           0.91358284       0.90587491       0.36024751 
           0.74870126       0.73866113       0.59817083 
           0.91358284       0.90587491       0.20726984 
           0.08024950       0.07254157       0.20726984 
           0.24822351       0.24120747       0.58991424 
           0.08024950       0.07254157       0.36024751 
           0.24670501       0.23917637       0.43668887 
           0.08094309       0.07261090       0.51483510 
           0.24691617       0.23920824       0.28375867 
           0.08024950       0.40587491       0.20726984 
           0.24378681       0.57444304       0.58954347 
           0.08024950       0.40587491       0.36024751 
           0.24668737       0.57247646       0.43672999 
           0.07993205       0.40592569       0.51485529 
           0.24691617       0.57254157       0.28375867 
           0.08024950       0.73920824       0.20726984 
           0.24755149       0.90576162       0.58958658 
           0.08024950       0.73920824       0.36024751 
           0.24687063       0.90560894       0.43661146 
           0.08030594       0.73885514       0.51454532 
           0.24691617       0.90587491       0.28375867 
           0.41358284       0.07254157       0.20726984 
           0.58074802       0.23508692       0.58766456 
           0.41358284       0.07254157       0.36024751 
           0.58019610       0.23893483       0.43643208 
           0.41350466       0.07128792       0.51438315 
           0.58024950       0.23920824       0.28375867 
           0.41358284       0.40587491       0.20726984 
           0.57959257       0.57218416       0.58937596 
           0.41358284       0.40587491       0.36024751 
           0.58014390       0.57238866       0.43659473 
           0.41328341       0.40550896       0.51324610 
           0.58024950       0.57254157       0.28375867 
           0.41358284       0.73920824       0.20726984 
           0.58211193       0.90534459       0.58922622 
           0.41358284       0.73920824       0.36024751 
           0.58035005       0.90561667       0.43651508 
           0.41334402       0.73881906       0.51475546 
           0.58024950       0.90587491       0.28375867 
           0.74691617       0.07254157       0.20726984 
           0.91351597       0.23856186       0.58997892 
           0.74691617       0.07254157       0.36024751 
           0.91363837       0.23905953       0.43663269 
           0.74735403       0.07216184       0.51441275 
           0.91358284       0.23920824       0.28375867 
           0.74691617       0.40587491       0.20726984 
           0.91130948       0.57352971       0.58863670 
           0.74691617       0.40587491       0.36024751 
           0.91362023       0.57242183       0.43657405 
           0.74687968       0.40565433       0.51463815 
           0.91358284       0.57254157       0.28375867 
           0.74691617       0.73920824       0.20726984 
           0.91498791       0.90487085       0.58909116 
           0.74691617       0.73920824       0.36024751 
           0.91379807       0.90558721       0.43655532 
           0.74693329       0.73872640       0.51445095 
           0.91358284       0.90587491       0.28375867 
           0.08663295       0.07865175       0.66789960 
           0.06020908       0.40877719       0.66705160 
           0.08584690       0.74393118       0.66798716 
           0.42270948       0.10492302       0.66406490 
           0.38563245       0.42059813       0.68019559 
           0.41748967       0.74694965       0.66657612 
           0.75139490       0.06528314       0.66727673 
           0.70155425       0.39022885       0.66418493 
           0.75099550       0.72302015       0.66675934 
           0.09058563       0.17678743       0.68651607 
           0.09606908       0.98389566       0.68808151 
           0.96096752       0.39294574       0.68074105 
           0.10108792       0.48823599       0.68264396 
           0.18765036       0.73552044       0.68428351 
           0.00240229       0.74296542       0.68839348 
           0.32530367       0.09912452       0.68224747 
           0.50983171       0.12670686       0.68243246 
           0.30783496       0.37097201       0.68920716 
           0.35236035       0.53742068       0.75894847 
           0.40886764       0.84796436       0.68235329 
           0.46824297       0.68695417       0.68277465 
           0.69904837       0.98990579       0.68444756 
           0.85570840       0.07537114       0.68121467 
           0.72732915       0.28872660       0.67851111 
           0.64564593       0.44707184       0.68126466 
           0.71465111       0.77497736       0.68664026 
           0.79000473       0.64252116       0.68603471 
           0.37402582       0.05479860       0.82202579 
           0.26313834       0.57691577       0.79122903 
           0.80729537       0.58653350       0.80746076 
           0.22920402       0.54415026       0.93613171 
           0.12832114       0.56575295       0.91700048 
           0.20713264       0.64083021       0.91698067 
           0.64839116       0.43203961       0.83738063 
           0.55941597       0.49035118       0.79093093 
           0.60699713       0.34329477       0.81958998 
           0.58549699       0.37846725       0.89637766 
           0.55116078       0.27168602       0.87615696 
           0.43104544       0.36660735       0.88655603 
           0.45791943       0.45382051       0.83184032 
           0.43227006       0.58910080       0.83837396 
           0.33521666       0.52518836       0.88676937 
           0.34622697       0.58562078       0.81172803 
           0.22304399       0.55801649       0.90562393 
           0.58566947       0.42909186       0.81685646 
           0.51397103       0.35964678       0.87610909 
   
  
  
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         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 
   
  
  
          0.08024950       0.07254157       0.28375867 
          0.24823671       0.24098193       0.51445425 
          0.08002570       0.07259818       0.43761672 
          0.24691617       0.23920824       0.36024751 
          0.08191119       0.07298728       0.59834598 
          0.24691617       0.23920824       0.20726984 
          0.08024950       0.40587491       0.28375867 
          0.24744138       0.57054811       0.51473801 
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          0.51397103       0.35964678       0.87610909 
  
  
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      59.02   59.03
      59.77   59.77
   
       2759.81566181 
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         -0.00185125 
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      59.81   59.82
      59.81   59.83
   
       1691.29769272 
       1691.31116333 
       1691.30218292