vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 03 12 
  21:50:06 
 
 
  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 
    
   
   
           0.07862883       0.07201154       0.28309349 
           0.24640742       0.24018138       0.51366736 
           0.07850243       0.07203975       0.43698842 
           0.24529550       0.23867821       0.35958233 
           0.08008309       0.07233658       0.59747781 
           0.24529550       0.23867821       0.20660466 
           0.07862883       0.40534488       0.28309349 
           0.24562731       0.57020345       0.51392226 
           0.07893349       0.40530823       0.43704317 
           0.24529550       0.57201154       0.35958233 
           0.07995460       0.40550603       0.59670335 
           0.24529550       0.57201154       0.20660466 
           0.07862883       0.73867821       0.28309349 
           0.24462217       0.90412024       0.51323065 
           0.07873886       0.73857881       0.43677996 
           0.24529550       0.90534488       0.35958233 
           0.07808802       0.74020207       0.59793986 
           0.24529550       0.90534488       0.20660466 
           0.41196217       0.07201154       0.28309349 
           0.57711688       0.23842176       0.51309082 
           0.41154814       0.07226308       0.43722797 
           0.57862883       0.23867821       0.35958233 
           0.41380017       0.07108472       0.59367184 
           0.57862883       0.23867821       0.20660466 
           0.41196217       0.40534488       0.28309349 
           0.57672202       0.57052634       0.51364529 
           0.41149208       0.40550291       0.43625898 
           0.57862883       0.57201154       0.35958233 
           0.41929192       0.38567172       0.61049648 
           0.57862883       0.57201154       0.20660466 
           0.41196217       0.73867821       0.28309349 
           0.58043981       0.90459979       0.51309922 
           0.41236140       0.73799079       0.43708808 
           0.57862883       0.90534488       0.35958233 
           0.41159808       0.73497706       0.59605011 
           0.57862883       0.90534488       0.20660466 
           0.74529550       0.07201154       0.28309349 
           0.91260999       0.23817314       0.51341766 
           0.74629199       0.07134297       0.43683556 
           0.91196217       0.23867821       0.35958233 
           0.74633883       0.07001190       0.59639783 
           0.91196217       0.23867821       0.20660466 
           0.74529550       0.40534488       0.28309349 
           0.91214050       0.57382995       0.51336349 
           0.74453426       0.40514967       0.43736657 
           0.91196217       0.57201154       0.35958233 
           0.74200453       0.40589130       0.59375311 
           0.91196217       0.57201154       0.20660466 
           0.74529550       0.73867821       0.28309349 
           0.91267746       0.90496253       0.51310003 
           0.74534666       0.73858176       0.43674398 
           0.91196217       0.90534488       0.35958233 
           0.74737026       0.73815651       0.59753249 
           0.91196217       0.90534488       0.20660466 
           0.07862883       0.07201154       0.20660466 
           0.24631959       0.24052394       0.58905676 
           0.07862883       0.07201154       0.35958233 
           0.24512984       0.23864649       0.43600567 
           0.07926275       0.07203059       0.51415425 
           0.24529550       0.23867821       0.28309349 
           0.07862883       0.40534488       0.20660466 
           0.24283737       0.57349277       0.58870519 
           0.07862883       0.40534488       0.35958233 
           0.24515906       0.57194612       0.43603492 
           0.07839942       0.40535875       0.51411877 
           0.24529550       0.57201154       0.28309349 
           0.07862883       0.73867821       0.20660466 
           0.24608766       0.90503874       0.58898911 
           0.07862883       0.73867821       0.35958233 
           0.24530631       0.90509405       0.43595080 
           0.07878444       0.73834253       0.51387380 
           0.24529550       0.90534488       0.28309349 
           0.41196217       0.07201154       0.20660466 
           0.57870108       0.23495933       0.58723549 
           0.41196217       0.07201154       0.35958233 
           0.57860687       0.23843184       0.43579171 
           0.41190692       0.07092250       0.51376759 
           0.57862883       0.23867821       0.28309349 
           0.41196217       0.40534488       0.20660466 
           0.57816314       0.57162230       0.58881995 
           0.41196217       0.40534488       0.35958233 
           0.57859061       0.57185770       0.43593605 
           0.41175990       0.40500910       0.51285746 
           0.57862883       0.57201154       0.28309349 
           0.41196217       0.73867821       0.20660466 
           0.58066466       0.90516292       0.58847430 
           0.41196217       0.73867821       0.35958233 
           0.57877387       0.90511979       0.43585941 
           0.41189344       0.73832255       0.51404951 
           0.57862883       0.90534488       0.28309349 
           0.74529550       0.07201154       0.20660466 
           0.91187986       0.23828850       0.58929876 
           0.74529550       0.07201154       0.35958233 
           0.91204112       0.23853229       0.43596823 
           0.74579084       0.07169348       0.51379570 
           0.91196217       0.23867821       0.28309349 
           0.74529550       0.40534488       0.20660466 
           0.91024281       0.57278549       0.58798078 
           0.74529550       0.40534488       0.35958233 
           0.91203313       0.57188193       0.43591257 
           0.74528564       0.40511942       0.51395616 
           0.91196217       0.57201154       0.28309349 
           0.74529550       0.73867821       0.20660466 
           0.91334445       0.90423290       0.58841105 
           0.74529550       0.73867821       0.35958233 
           0.91220784       0.90507728       0.43590094 
           0.74540863       0.73823793       0.51382701 
           0.91196217       0.90534488       0.28309349 
           0.08393305       0.07693741       0.66699132 
           0.05958748       0.40716485       0.66657255 
           0.08638444       0.74303422       0.66735845 
           0.41910277       0.09969887       0.66401749 
           0.38778935       0.42054041       0.67703352 
           0.41702750       0.74647763       0.66597072 
           0.74939110       0.06433496       0.66661342 
           0.70725211       0.39110995       0.66404663 
           0.74998550       0.72199280       0.66622890 
           0.08611605       0.17503113       0.68570065 
           0.09254639       0.98157026       0.68695897 
           0.95939980       0.39749867       0.68049107 
           0.10862348       0.48095712       0.68305337 
           0.18856633       0.73332047       0.68340404 
           0.00291125       0.73347437       0.68783460 
           0.32004770       0.09585190       0.68142134 
           0.50371333       0.12910158       0.68274764 
           0.31742352       0.36384075       0.68858487 
           0.35835648       0.53457923       0.74319069 
           0.40686037       0.84891064       0.68096550 
           0.47948431       0.69316388       0.68111755 
           0.69143326       0.99443716       0.68457679 
           0.85367824       0.07141220       0.68080519 
           0.73172320       0.28838743       0.67786529 
           0.64082160       0.44162304       0.68000113 
           0.72790474       0.78146255       0.68660334 
           0.78478913       0.63727802       0.68478025 
           0.41446345       0.01354705       0.82314675 
           0.29482384       0.60674786       0.79623662 
           0.76731946       0.60330210       0.80575086 
           0.23946268       0.56788397       0.93594916 
           0.12949278       0.55229327       0.91853135 
           0.19965069       0.63983425       0.90899630 
           0.66105044       0.41532351       0.83987779 
           0.55819799       0.46571391       0.79504340 
           0.59483592       0.32260646       0.82786528 
           0.60750398       0.40531184       0.90833074 
           0.55368226       0.29056400       0.89423221 
           0.44764298       0.40455470       0.90475830 
           0.46922681       0.46314339       0.84373392 
           0.45860143       0.60475096       0.84527637 
           0.33377397       0.51575114       0.88650490 
           0.38574312       0.61486006       0.81468308 
           0.22257626       0.55781966       0.90855326 
           0.58512386       0.41249581       0.82312240 
           0.52656442       0.38375072       0.89148250 
   
  
  
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         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 
   
  
  
          0.07862883       0.07201154       0.28309349 
          0.24640742       0.24018138       0.51366736 
          0.07850243       0.07203975       0.43698842 
          0.24529550       0.23867821       0.35958233 
          0.08008309       0.07233658       0.59747781 
          0.24529550       0.23867821       0.20660466 
          0.07862883       0.40534488       0.28309349 
          0.24562731       0.57020345       0.51392226 
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          0.52656442       0.38375072       0.89148250 
  
  
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      58.26   58.27
      60.07   60.07
   
       2759.81566181 
     465474.98949036 
    -561316.36416519 
       4806.04087334 
      82476.61415358 
     -81482.61018823 
         -0.02318463 
      -2046.83511901 
     104348.45207405 
      15020.07959607 
      15020.10278071 
      15020.08732428 
   
  
  
      59.54   59.56
      59.54   59.56
   
       1681.97969046 
       1681.98002740 
       1681.97980277