vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 03 12 
  21:50:05 
 
 
  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 
    
   
   
           0.07376682       0.07042148       0.28109797 
           0.24086101       0.23775071       0.51128305 
           0.07388208       0.07034639       0.43508265 
           0.24043349       0.23708815       0.35758681 
           0.07453813       0.07036536       0.59483460 
           0.24043349       0.23708815       0.20460914 
           0.07376682       0.40375482       0.28109797 
           0.24012294       0.56916191       0.51143919 
           0.07378323       0.40378449       0.43477903 
           0.24043349       0.57042148       0.35758681 
           0.07401028       0.40334415       0.59586410 
           0.24043349       0.57042148       0.20460914 
           0.07376682       0.73708815       0.28109797 
           0.24066783       0.90265359       0.51127394 
           0.07397970       0.73683894       0.43470651 
           0.24043349       0.90375482       0.35758681 
           0.07441848       0.73759232       0.59633154 
           0.24043349       0.90375482       0.20460914 
           0.40710016       0.07042148       0.28109797 
           0.57272755       0.23596929       0.51110258 
           0.40675394       0.07043903       0.43494692 
           0.57376682       0.23708815       0.35758681 
           0.40934238       0.07147286       0.59385309 
           0.57376682       0.23708815       0.20460914 
           0.40710016       0.40375482       0.28109797 
           0.57344575       0.56978843       0.51145035 
           0.40695699       0.40372652       0.43465146 
           0.57376682       0.57042148       0.35758681 
           0.40730887       0.39861694       0.59877373 
           0.57376682       0.57042148       0.20460914 
           0.40710016       0.73708815       0.28109797 
           0.57545590       0.90403676       0.51107777 
           0.40773822       0.73700228       0.43511242 
           0.57376682       0.90375482       0.35758681 
           0.40747314       0.73601218       0.59392312 
           0.57376682       0.90375482       0.20460914 
           0.74043349       0.07042148       0.28109797 
           0.90738670       0.23737767       0.51133508 
           0.74108862       0.07010622       0.43484419 
           0.90710016       0.23708815       0.35758681 
           0.74001041       0.06795850       0.59471930 
           0.90710016       0.23708815       0.20460914 
           0.74043349       0.40375482       0.28109797 
           0.90789066       0.57140874       0.51130218 
           0.73994420       0.40348011       0.43518883 
           0.90710016       0.57042148       0.35758681 
           0.73965098       0.40349892       0.59334328 
           0.90710016       0.57042148       0.20460914 
           0.74043349       0.73708815       0.28109797 
           0.90758991       0.90312756       0.51115908 
           0.74070560       0.73684863       0.43477171 
           0.90710016       0.90375482       0.35758681 
           0.74333121       0.73662140       0.59557552 
           0.90710016       0.90375482       0.20460914 
           0.07376682       0.07042148       0.20460914 
           0.24053408       0.23844928       0.58646165 
           0.07376682       0.07042148       0.35758681 
           0.24034763       0.23703710       0.43393160 
           0.07416261       0.07026836       0.51208901 
           0.24043349       0.23708815       0.28109797 
           0.07376682       0.40375482       0.20460914 
           0.23995330       0.57063452       0.58616775 
           0.07376682       0.40375482       0.35758681 
           0.24052019       0.57033838       0.43392594 
           0.07374834       0.40363927       0.51188514 
           0.24043349       0.57042148       0.28109797 
           0.07376682       0.73708815       0.20460914 
           0.24164680       0.90285023       0.58717891 
           0.07376682       0.73708815       0.35758681 
           0.24055981       0.90353054       0.43394591 
           0.07416574       0.73678925       0.51183867 
           0.24043349       0.90375482       0.28109797 
           0.40710016       0.07042148       0.20460914 
           0.57252640       0.23456155       0.58592896 
           0.40710016       0.07042148       0.35758681 
           0.57378608       0.23690469       0.43384796 
           0.40705766       0.06981070       0.51189927 
           0.57376682       0.23708815       0.28109797 
           0.40710016       0.40375482       0.20460914 
           0.57383751       0.56994591       0.58713269 
           0.40710016       0.40375482       0.35758681 
           0.57387935       0.57024898       0.43393646 
           0.40713631       0.40349529       0.51167979 
           0.57376682       0.57042148       0.28109797 
           0.40710016       0.73708815       0.20460914 
           0.57626065       0.90460116       0.58619811 
           0.40710016       0.73708815       0.35758681 
           0.57399065       0.90361220       0.43386928 
           0.40748873       0.73681511       0.51191070 
           0.57376682       0.90375482       0.28109797 
           0.74043349       0.07042148       0.20460914 
           0.90691675       0.23745830       0.58723617 
           0.74043349       0.07042148       0.35758681 
           0.90719566       0.23693286       0.43395169 
           0.74105209       0.07027030       0.51192348 
           0.90710016       0.23708815       0.28109797 
           0.74043349       0.40375482       0.20460914 
           0.90700238       0.57051833       0.58599692 
           0.74043349       0.40375482       0.35758681 
           0.90721833       0.57024441       0.43390467 
           0.74045180       0.40349877       0.51188818 
           0.90710016       0.57042148       0.28109797 
           0.74043349       0.73708815       0.20460914 
           0.90835230       0.90229574       0.58635197 
           0.74043349       0.73708815       0.35758681 
           0.90738222       0.90353070       0.43391530 
           0.74078412       0.73675704       0.51193447 
           0.90710016       0.90375482       0.28109797 
           0.07573960       0.07174064       0.66424538 
           0.05795091       0.40241634       0.66521216 
           0.08785242       0.74018399       0.66550827 
           0.40826496       0.08400263       0.66392506 
           0.39417892       0.41987541       0.66767369 
           0.41674659       0.74515674       0.66417354 
           0.74316423       0.06140762       0.66465569 
           0.72367802       0.39368427       0.66366453 
           0.74866404       0.72040667       0.66490388 
           0.07255629       0.16969347       0.68322471 
           0.08185884       0.97451886       0.68355182 
           0.95474312       0.41129243       0.67972236 
           0.13112746       0.45874687       0.68421991 
           0.19133624       0.72665735       0.68073338 
           0.00462325       0.70480264       0.68609409 
           0.30411016       0.08592066       0.67891040 
           0.48503932       0.13624357       0.68366590 
           0.34666764       0.34290643       0.68648794 
           0.37703734       0.52582129       0.69526841 
           0.40077182       0.85176922       0.67675475 
           0.51246692       0.71187335       0.67607031 
           0.66850189       0.00824446       0.68492558 
           0.84750096       0.05940050       0.67955962 
           0.74506302       0.28735357       0.67590315 
           0.62699469       0.42518638       0.67614457 
           0.76631070       0.79944896       0.68622186 
           0.76901869       0.62151393       0.68096924 
           0.53708044       0.88807855       0.82653269 
           0.39064836       0.69722693       0.81156056 
           0.64544460       0.65423460       0.80056695 
           0.26390752       0.61834604       0.93768542 
           0.13327783       0.51301875       0.92284247 
           0.18133760       0.64446721       0.89008055 
           0.69814378       0.36479007       0.84767949 
           0.55458526       0.39134795       0.80770329 
           0.55941397       0.26094410       0.85274812 
           0.67329958       0.48652847       0.94474553 
           0.56176413       0.34858218       0.94889079 
           0.49739782       0.51836714       0.95950104 
           0.50301383       0.48962809       0.87823773 
           0.53835778       0.65121909       0.86625730 
           0.33035623       0.48713169       0.88605397 
           0.50367958       0.70161915       0.82394698 
           0.22334588       0.56923717       0.91023720 
           0.58663672       0.36578876       0.84318433 
           0.56453946       0.45773900       0.93824315 
   
  
  
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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 
   
  
  
          0.07376682       0.07042148       0.28109797 
          0.24086101       0.23775071       0.51128305 
          0.07388208       0.07034639       0.43508265 
          0.24043349       0.23708815       0.35758681 
          0.07453813       0.07036536       0.59483460 
          0.24043349       0.23708815       0.20460914 
          0.07376682       0.40375482       0.28109797 
          0.24012294       0.56916191       0.51143919 
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          0.56453946       0.45773900       0.93824315 
  
  
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      58.75   58.78
      60.56   60.58
   
       2759.81566181 
     464054.10186587 
    -560108.76882471 
       4798.82606501 
      82476.61415358 
     -81482.61018823 
          0.00016254 
      -1979.77712717 
     104348.45207405 
      14866.65384274 
      14866.65368020 
      14866.65378856 
   
  
  
      59.98   60.02
      59.99   60.02
   
       1612.02642808 
       1612.05199268 
       1612.03494961