vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 03 12 
  21:50:14 
 
 
  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 
    
   
   
           0.08673217       0.07466165       0.28641937 
           0.25549542       0.24415897       0.51756724 
           0.08607592       0.07481437       0.44011436 
           0.25339884       0.24132832       0.36290821 
           0.08917748       0.07556802       0.60178502 
           0.25339884       0.24132832       0.20993054 
           0.08673217       0.40799499       0.28641937 
           0.25464251       0.57192927       0.51797400 
           0.08738247       0.40780479       0.44075889 
           0.25339884       0.57466165       0.36290821 
           0.08967482       0.40902544       0.59803742 
           0.25339884       0.57466165       0.20993054 
           0.08673217       0.74132832       0.28641937 
           0.25110552       0.90652660       0.51643748 
           0.08653639       0.74143389       0.44018285 
           0.25339884       0.90799499       0.36290821 
           0.08409457       0.74448941       0.60053142 
           0.25339884       0.90799499       0.20993054 
           0.42006551       0.07466165       0.28641937 
           0.58431511       0.24244432       0.51633932 
           0.41940976       0.07525647       0.44097577 
           0.58673217       0.24132832       0.36290821 
           0.42107595       0.07044660       0.59332067 
           0.58673217       0.24132832       0.20993054 
           0.42006551       0.40799499       0.28641937 
           0.58210822       0.57174166       0.51723575 
           0.41892566       0.40841846       0.43890297 
           0.58673217       0.57466165       0.36290821 
           0.43916853       0.36405228       0.62958739 
           0.58673217       0.57466165       0.20993054 
           0.42006551       0.74132832       0.28641937 
           0.58860258       0.90552334       0.51640712 
           0.41994053       0.73961439       0.44032970 
           0.58673217       0.90799499       0.36290821 
           0.41836944       0.73330941       0.59948018 
           0.58673217       0.90799499       0.20993054 
           0.75339884       0.07466165       0.28641937 
           0.92117095       0.23947689       0.51683543 
           0.75481787       0.07336606       0.44010316 
           0.92006551       0.24132832       0.36290821 
           0.75673832       0.07338832       0.59912653 
           0.92006551       0.24132832       0.20993054 
           0.75339884       0.40799499       0.28641937 
           0.91910553       0.57779217       0.51673953 
           0.75206062       0.40788575       0.44094426 
           0.92006551       0.57466165       0.36290821 
           0.74589154       0.40983517       0.59434431 
           0.92006551       0.57466165       0.20993054 
           0.75339884       0.74132832       0.28641937 
           0.92101498       0.90796680       0.51627679 
           0.75295469       0.74142326       0.43998059 
           0.92006551       0.90799499       0.36290821 
           0.75400743       0.74067595       0.60069310 
           0.92006551       0.90799499       0.20993054 
           0.08673217       0.07466165       0.20993054 
           0.25583443       0.24393995       0.59334045 
           0.08673217       0.07466165       0.36290821 
           0.25296560       0.24128447       0.43940222 
           0.08762100       0.07491583       0.51754237 
           0.25339884       0.24132832       0.28641937 
           0.08673217       0.40799499       0.20993054 
           0.24757359       0.57823781       0.59287848 
           0.08673217       0.40799499       0.36290821 
           0.25276199       0.57457983       0.43949024 
           0.08602433       0.40817830       0.51778431 
           0.25339884       0.57466165       0.28641937 
           0.08673217       0.74132832       0.20993054 
           0.25336388       0.90863174       0.59196426 
           0.08673217       0.74132832       0.36290821 
           0.25308701       0.90765617       0.43923565 
           0.08635831       0.74088861       0.51721586 
           0.25339884       0.90799499       0.28641937 
           0.42006551       0.07466165       0.20993054 
           0.58878440       0.23571843       0.58940604 
           0.42006551       0.07466165       0.36290821 
           0.58651237       0.24093226       0.43897480 
           0.41985701       0.07274327       0.51683516 
           0.58673217       0.24132832       0.28641937 
           0.42006551       0.40799499       0.20993054 
           0.58527920       0.57442777       0.59159707 
           0.42006551       0.40799499       0.36290821 
           0.58631365       0.57449785       0.43921183 
           0.41933435       0.40749497       0.51480464 
           0.58673217       0.57466165       0.28641937 
           0.42006551       0.74132832       0.20993054 
           0.58783653       0.90607933       0.59221833 
           0.42006551       0.74132832       0.36290821 
           0.58661752       0.90759105       0.43911942 
           0.41910831       0.74079273       0.51756272 
           0.58673217       0.90799499       0.28641937 
           0.75339884       0.07466165       0.20993054 
           0.92002013       0.23964691       0.59268145 
           0.75339884       0.07466165       0.36290821 
           0.91998540       0.24115323       0.43927246 
           0.75356364       0.07402633       0.51686869 
           0.92006551       0.24132832       0.28641937 
           0.75339884       0.40799499       0.20993054 
           0.91556358       0.57646895       0.59124336 
           0.75339884       0.40799499       0.36290821 
           0.91992759       0.57456906       0.43920111 
           0.75320932       0.40777801       0.51735060 
           0.92006551       0.57466165       0.28641937 
           0.75339884       0.74132832       0.20993054 
           0.92150782       0.90740105       0.59180319 
           0.75339884       0.74132832       0.36290821 
           0.92011980       0.90761313       0.43915453 
           0.75299486       0.74066807       0.51693114 
           0.92006551       0.90799499       0.28641937 
           0.09736851       0.08547322       0.67152125 
           0.06274283       0.41587856       0.66909963 
           0.08330874       0.74756150       0.67059890 
           0.43734512       0.12574915       0.66434520 
           0.37509539       0.42041170       0.69313918 
           0.42043530       0.74649662       0.66959227 
           0.75923761       0.06873608       0.66997035 
           0.67784031       0.38819144       0.66519313 
           0.75072876       0.73000183       0.67029419 
           0.10834059       0.18375348       0.68975377 
           0.11006891       0.99313838       0.69254088 
           0.96738350       0.37492556       0.68171420 
           0.07089964       0.51639735       0.68090424 
           0.18400283       0.74427101       0.68777685 
           0.00078607       0.78060867       0.69051488 
           0.34621448       0.11211503       0.68551709 
           0.53383468       0.11714907       0.68111254 
           0.27161094       0.39995032       0.69158680 
           0.33037613       0.56107740       0.82694696 
           0.41684372       0.84420119       0.68786702 
           0.42247446       0.66463168       0.68876321 
           0.72946646       0.97220014       0.68387832 
           0.86373633       0.09110121       0.68284067 
           0.70992043       0.29007037       0.68107466 
           0.66576972       0.46721577       0.68585057 
           0.66645353       0.74608634       0.68538614 
           0.81053841       0.66358406       0.69100388 
           0.21319670       0.21887686       0.81756156 
           0.13851097       0.45784979       0.77108776 
           0.96647295       0.52003259       0.81426886 
           0.18858299       0.48374147       0.92111643 
           0.12756835       0.61897704       0.91131702 
           0.23892183       0.60164851       0.94243428 
           0.59546787       0.49749500       0.82648321 
           0.56379803       0.58744105       0.77488599 
           0.65288378       0.42902560       0.78706489 
           0.49705742       0.27098179       0.84824431 
           0.54007019       0.19888052       0.80456101 
           0.37088546       0.21644657       0.81387179 
           0.42690096       0.42316304       0.78459234 
           0.31888184       0.50588946       0.80329442 
           0.34075768       0.56321813       0.88703609 
           0.19866979       0.47066022       0.80237640 
           0.21903357       0.56830154       0.91536950 
           0.57390850       0.49250140       0.79361199 
           0.46163119       0.26318186       0.81533802 
   
  
  
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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 
   
  
  
          0.08673217       0.07466165       0.28641937 
          0.25549542       0.24415897       0.51756724 
          0.08607592       0.07481437       0.44011436 
          0.25339884       0.24132832       0.36290821 
          0.08917748       0.07556802       0.60178502 
          0.25339884       0.24132832       0.20993054 
          0.08673217       0.40799499       0.28641937 
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          0.46163119       0.26318186       0.81533802 
  
  
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      60.78   60.81
      61.84   61.87
   
       2759.81566181 
     470176.67830836 
    -566136.32443863 
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          0.00715152 
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     104348.45207405 
      14939.02725245 
      14939.02010093 
      14939.02486861 
   
  
  
      60.00   60.00
      60.01   60.00
   
       1642.80733173 
       1642.82637071 
       1642.81367806