vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 06 27 
  19:28:36 
 
 
  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      0.73000000      1.11000000      0.75000000      0.77000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
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       4740.99950739 
    
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          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
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         1
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     T  
     T  
   
   
     T  
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      -100
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         0
         2
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         1
     F  
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         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
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     F  
   
   
     F  
     F  
   
   
        60
        -5
         2
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      T  
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          4
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     F  
     F  
         0
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          0.00000000
   
  
  
       70
       70
      126
      140
      140
      252
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        0
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        2
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      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     16.00000000     28.08500000     14.00100000     12.01100000      1.00000000
         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
        11.85249877
         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  
  
 
 
       240 
         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
    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
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    Si   3
    N    4
    C    5
    C    5
    C    5
    C    5
    C    5
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      72Ti     47.88000000     12.00000000  PAW_PBE Ti_sv 26Sep2005               
     145O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       1Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
       5C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      16H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          13.83534000       0.00000000       0.00000000 
           0.00000000      13.83534000       0.00000000 
           0.00000000       0.00000000      24.76796000 
   
      4740.99950739 
   
           0.07227867       0.00000000       0.00000000 
           0.00000000       0.07227867       0.00000000 
           0.00000000       0.00000000       0.04037474 
   
  
  
          0.99945941       0.16262323       0.59330716 
          0.16541566       0.32975272       0.27555990 
          0.99783466       0.16391303       0.46277933 
          0.16541566       0.32975272       0.39434199 
          0.99874899       0.16308605       0.33495095 
          0.16575899       0.33094985       0.51008528 
          0.99874899       0.16308605       0.21616886 
          0.16650845       0.33035386       0.62583495 
          0.00037360       0.49430584       0.59136521 
          0.16541566       0.66308605       0.27555990 
          0.99798411       0.49740976       0.46261051 
          0.16541566       0.66308605       0.39434199 
          0.99874899       0.49641939       0.33495095 
          0.16409203       0.66397870       0.51009708 
          0.99874899       0.49641939       0.21616886 
          0.16506917       0.66309425       0.62578533 
          0.99701010       0.82859668       0.59341347 
          0.16541566       0.99641939       0.27555990 
          0.99714775       0.83049098       0.46317415 
          0.16541566       0.99641939       0.39434199 
          0.99874899       0.82975272       0.33495095 
          0.16331743       0.99776092       0.50999050 
          0.99874899       0.82975272       0.21616886 
          0.16477134       0.99570989       0.62607597 
          0.33127803       0.16277442       0.59286797 
          0.49874899       0.32975272       0.27555990 
          0.33119673       0.16402254       0.46277355 
          0.49874899       0.32975272       0.39434199 
          0.33208232       0.16308605       0.33495095 
          0.49778163       0.33085258       0.51005047 
          0.33208232       0.16308605       0.21616886 
          0.49853026       0.32914119       0.62592361 
          0.33542420       0.49966499       0.59370045 
          0.49874899       0.66308605       0.27555990 
          0.33226217       0.49858792       0.46344784 
          0.49874899       0.66308605       0.39434199 
          0.33208232       0.49641939       0.33495095 
          0.49712619       0.66339643       0.51400862 
          0.33208232       0.49641939       0.21616886 
          0.50032047       0.66464491       0.63561348 
          0.32837478       0.83266360       0.58976655 
          0.49874899       0.99641939       0.27555990 
          0.33136542       0.83019375       0.46213258 
          0.49874899       0.99641939       0.39434199 
          0.33208232       0.82975272       0.33495095 
          0.49757781       0.99738422       0.51008124 
          0.33208232       0.82975272       0.21616886 
          0.49780344       0.99658524       0.62606218 
          0.66493639       0.16273419       0.59246438 
          0.83208232       0.32975272       0.27555990 
          0.66437666       0.16366726       0.46278033 
          0.83208232       0.32975272       0.39434199 
          0.66541566       0.16308605       0.33495095 
          0.83185460       0.32968091       0.50975101 
          0.66541566       0.16308605       0.21616886 
          0.83251092       0.32832387       0.62567243 
          0.66887418       0.49265518       0.58993088 
          0.83208232       0.66308605       0.27555990 
          0.66459875       0.49832822       0.46233488 
          0.83208232       0.66308605       0.39434199 
          0.66541566       0.49641939       0.33495095 
          0.83164724       0.66465297       0.51140316 
          0.66541566       0.49641939       0.21616886 
          0.83073534       0.66025731       0.62909662 
          0.66116563       0.82938546       0.59225416 
          0.83208232       0.99641939       0.27555990 
          0.66321196       0.82878130       0.46304203 
          0.83208232       0.99641939       0.39434199 
          0.66541566       0.82975272       0.33495095 
          0.83022394       0.99649733       0.51001624 
          0.66541566       0.82975272       0.21616886 
          0.83117998       0.99642330       0.62570929 
          0.09856508       0.26244088       0.57722085 
          0.25944899       0.23571939       0.27555990 
          0.07138232       0.09045272       0.27555990 
          0.23184769       0.06343636       0.57683157 
          0.09955949       0.26380722       0.45687346 
          0.25944899       0.23571939       0.39434199 
          0.07138232       0.09045272       0.39434199 
          0.23060839       0.06284228       0.45670420 
          0.09278232       0.25711939       0.33495095 
          0.26603923       0.22910453       0.51745651 
          0.06403017       0.09760544       0.51765264 
          0.23804899       0.06905272       0.33495095 
          0.09278232       0.25711939       0.21616886 
          0.26043481       0.23376829       0.64172811 
          0.06960980       0.09187256       0.64219229 
          0.23804899       0.06905272       0.21616886 
          0.09891585       0.59540425       0.57658298 
          0.25944899       0.56905272       0.27555990 
          0.07138232       0.42378605       0.27555990 
          0.23284467       0.39716858       0.57689704 
          0.09923061       0.59691562       0.45646099 
          0.25944899       0.56905272       0.39434199 
          0.07138232       0.42378605       0.39434199 
          0.23158512       0.39616025       0.45672924 
          0.09278232       0.59045272       0.33495095 
          0.26634524       0.56308901       0.51766314 
          0.06453116       0.43073990       0.51720467 
          0.23804899       0.40238605       0.33495095 
          0.09278232       0.59045272       0.21616886 
          0.25908751       0.56859867       0.64219975 
          0.07071232       0.42383808       0.64157865 
          0.23804899       0.40238605       0.21616886 
          0.09729238       0.92896166       0.57691296 
          0.25944899       0.90238605       0.27555990 
          0.07138232       0.75711939       0.27555990 
          0.22863015       0.73128203       0.57588173 
          0.09849298       0.93080857       0.45663722 
          0.25944899       0.90238605       0.39434199 
          0.07138232       0.75711939       0.39434199 
          0.23093757       0.72932123       0.45662820 
          0.09278232       0.92378605       0.33495095 
          0.26512679       0.89626638       0.51611167 
          0.06311948       0.76350250       0.51735013 
          0.23804899       0.73571939       0.33495095 
          0.09278232       0.92378605       0.21616886 
          0.25806948       0.90319582       0.64221153 
          0.06953877       0.75796548       0.64227738 
          0.23804899       0.73571939       0.21616886 
          0.43074874       0.26206273       0.57709536 
          0.59278232       0.23571939       0.27555990 
          0.40471566       0.09045272       0.27555990 
          0.56534086       0.06391135       0.57691256 
          0.43219846       0.26384972       0.45658185 
          0.59278232       0.23571939       0.39434199 
          0.40471566       0.09045272       0.39434199 
          0.56459855       0.06238780       0.45655022 
          0.42611566       0.25711939       0.33495095 
          0.59901507       0.22853695       0.51710654 
          0.39757349       0.09776607       0.51707910 
          0.57138232       0.06905272       0.33495095 
          0.42611566       0.25711939       0.21616886 
          0.59350989       0.23339820       0.64152175 
          0.40252706       0.09226190       0.64176128 
          0.57138232       0.06905272       0.21616886 
          0.43130357       0.59555922       0.58114765 
          0.59278232       0.56905272       0.27555990 
          0.40471566       0.42378605       0.27555990 
          0.56625949       0.39322094       0.57610667 
          0.43313113       0.59779762       0.45821129 
          0.59278232       0.56905272       0.39434199 
          0.40471566       0.42378605       0.39434199 
          0.56444640       0.39596161       0.45670077 
          0.42611566       0.59045272       0.33495095 
          0.59981324       0.56179249       0.51753958 
          0.39814353       0.43122711       0.51789386 
          0.57138232       0.40238605       0.33495095 
          0.42611566       0.59045272       0.21616886 
          0.59805289       0.56178675       0.63496238 
          0.40369980       0.42345637       0.64219659 
          0.57138232       0.40238605       0.21616886 
          0.43047497       0.93190309       0.57613766 
          0.59278232       0.90238605       0.27555990 
          0.40471566       0.75711939       0.27555990 
          0.56496600       0.73111263       0.58068724 
          0.43242727       0.93056239       0.45661758 
          0.59278232       0.90238605       0.39434199 
          0.40471566       0.75711939       0.39434199 
          0.56374815       0.72836354       0.45846271 
          0.42611566       0.92378605       0.33495095 
          0.59877330       0.89570813       0.51734857 
          0.39684151       0.76431502       0.51729216 
          0.57138232       0.73571939       0.33495095 
          0.42611566       0.92378605       0.21616886 
          0.59252015       0.90416604       0.64233789 
          0.39665756       0.76110136       0.63474664 
          0.57138232       0.73571939       0.21616886 
          0.76475429       0.26165379       0.57647956 
          0.92611566       0.23571939       0.27555990 
          0.73804899       0.09045272       0.27555990 
          0.89937043       0.06363263       0.57723513 
          0.76616007       0.26330730       0.45643111 
          0.92611566       0.23571939       0.39434199 
          0.73804899       0.09045272       0.39434199 
          0.89803000       0.06229524       0.45683630 
          0.75944899       0.25711939       0.33495095 
          0.93266893       0.22892138       0.51717408 
          0.73062845       0.09743684       0.51736687 
          0.90471566       0.06905272       0.33495095 
          0.75944899       0.25711939       0.21616886 
          0.92783330       0.23334956       0.64208942 
          0.73653112       0.09210368       0.64146311 
          0.90471566       0.06905272       0.21616886 
          0.76750561       0.59441007       0.57749554 
          0.92611566       0.56905272       0.27555990 
          0.73804899       0.42378605       0.27555990 
          0.89956955       0.39536323       0.57631861 
          0.76626451       0.59777904       0.45743378 
          0.92611566       0.56905272       0.39434199 
          0.73804899       0.42378605       0.39434199 
          0.89828433       0.39551694       0.45652701 
          0.75944899       0.59045272       0.33495095 
          0.93324012       0.56239703       0.51709131 
          0.73149735       0.42999717       0.51624480 
          0.90471566       0.40238605       0.33495095 
          0.75944899       0.59045272       0.21616886 
          0.93044708       0.56563661       0.63923066 
          0.73949953       0.42129659       0.64228525 
          0.90471566       0.40238605       0.21616886 
          0.76425964       0.93093377       0.57649672 
          0.92611566       0.90238605       0.27555990 
          0.73804899       0.75711939       0.27555990 
          0.89924667       0.72998597       0.57937138 
          0.76555132       0.93025588       0.45668551 
          0.92611566       0.90238605       0.39434199 
          0.73804899       0.75711939       0.39434199 
          0.89763492       0.72930406       0.45705828 
          0.75944899       0.92378605       0.33495095 
          0.93195469       0.89526887       0.51781037 
          0.73070770       0.76386980       0.51770865 
          0.90471566       0.73571939       0.33495095 
          0.75944899       0.92378605       0.21616886 
          0.92656356       0.90154272       0.64222350 
          0.73627200       0.76132618       0.63879680 
          0.90471566       0.73571939       0.21616886 
          0.50918521       0.67325923       0.70961556 
          0.46393853       0.69486393       0.78530349 
          0.76265854       0.65132230       0.74096350 
          0.36215244       0.61034049       0.78942029 
          0.53828160       0.67451299       0.84433052 
          0.42514990       0.82284974       0.78108121 
          0.82427478       0.72570730       0.75794749 
          0.77754075       0.55720347       0.76184761 
          0.32096429       0.61411196       0.75301154 
          0.38469415       0.53530599       0.79527639 
          0.31597050       0.62806202       0.82228449 
          0.56415178       0.60057287       0.84620429 
          0.59811706       0.72422523       0.84418192 
          0.49856840       0.68573526       0.88008026 
          0.38423549       0.83964501       0.81480209 
          0.48344615       0.87230769       0.77905791 
          0.38346844       0.83615681       0.74657762 
          0.82442892       0.73337071       0.79711871 
          0.88844062       0.70578681       0.74595083 
          0.80924965       0.79531135       0.74272877 
          0.72851782       0.50481477       0.74895391 
          0.84106804       0.53152932       0.75010371 
          0.77644661       0.56275208       0.80132211 
          0.69590748       0.66259609       0.72132842 
  
  
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
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