vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 03 12 
  21:50:11 
 
 
  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 
    
   
   
           0.08511150       0.07413163       0.28575419 
           0.25399862       0.24350517       0.51692650 
           0.08482914       0.07435831       0.43959944 
           0.25177817       0.24079830       0.36224303 
           0.08768038       0.07503658       0.60107973 
           0.25177817       0.24079830       0.20926536 
           0.08511150       0.40746497       0.28575419 
           0.25315824       0.57164369       0.51730800 
           0.08598978       0.40739333       0.44014584 
           0.25177817       0.57413163       0.36224303 
           0.08807449       0.40844763       0.59782272 
           0.25177817       0.57413163       0.20926536 
           0.08511150       0.74079830       0.28575419 
           0.25003709       0.90613011       0.51590967 
           0.08525267       0.74096270       0.43962215 
           0.25177817       0.90746497       0.36224303 
           0.08310765       0.74378215       0.60010876 
           0.25177817       0.90746497       0.20926536 
           0.41844484       0.07413163       0.28575419 
           0.58313028       0.24178014       0.51580801 
           0.41811545       0.07476288       0.44035642 
           0.58511150       0.24079830       0.36224303 
           0.41988199       0.07056490       0.59338665 
           0.58511150       0.24079830       0.20926536 
           0.41844484       0.40746497       0.28575419 
           0.58121837       0.57154129       0.51664608 
           0.41770172       0.40793825       0.43846771 
           0.58511150       0.57413163       0.36224303 
           0.43586239       0.36764147       0.62647192 
           0.58511150       0.57413163       0.20926536 
           0.41844484       0.74079830       0.28575419 
           0.58726034       0.90537140       0.51586246 
           0.41869244       0.73934740       0.43979519 
           0.58511150       0.90746497       0.36224303 
           0.41725681       0.73357766       0.59891976 
           0.58511150       0.90746497       0.20926536 
           0.75177817       0.07413163       0.28575419 
           0.91976201       0.23926078       0.51627254 
           0.75341277       0.07303269       0.43956457 
           0.91844484       0.24079830       0.36224303 
           0.75501896       0.07283753       0.59867910 
           0.91844484       0.24079830       0.20926536 
           0.75177817       0.40746497       0.28575419 
           0.91795879       0.57713999       0.51618328 
           0.75082205       0.40743562       0.44035357 
           0.91844484       0.57413163       0.36224303 
           0.74524137       0.40918308       0.59425401 
           0.91844484       0.57413163       0.20926536 
           0.75177817       0.74079830       0.28575419 
           0.91964345       0.90747188       0.51575449 
           0.75170146       0.74095543       0.43944722 
           0.91844484       0.90746497       0.36224303 
           0.75291164       0.74025862       0.60017545 
           0.91844484       0.90746497       0.20926536 
           0.08511150       0.07413163       0.20926536 
           0.25426040       0.24337543       0.59263086 
           0.08511150       0.07413163       0.36224303 
           0.25167468       0.24084971       0.43884332 
           0.08624449       0.07444066       0.51698405 
           0.25177817       0.24079830       0.28575419 
           0.08511150       0.40746497       0.20926536 
           0.24679008       0.57745359       0.59218971 
           0.08511150       0.40746497       0.36224303 
           0.25150919       0.57414663       0.43892143 
           0.08476860       0.40771443       0.51718024 
           0.25177817       0.57413163       0.28575419 
           0.08511150       0.74079830       0.20926536 
           0.25216734       0.90804026       0.59147293 
           0.08511150       0.74079830       0.36224303 
           0.25180590       0.90723412       0.43869487 
           0.08510998       0.74046983       0.51666511 
           0.25177817       0.90746497       0.28575419 
           0.41844484       0.07413163       0.20926536 
           0.58715353       0.23557063       0.58903674 
           0.41844484       0.07413163       0.36224303 
           0.58521077       0.24052050       0.43845096 
           0.41854686       0.07244234       0.51632933 
           0.58511150       0.24079830       0.28575419 
           0.41844484       0.40746497       0.20926536 
           0.58410526       0.57396314       0.59113716 
           0.41844484       0.40746497       0.36224303 
           0.58504256       0.57406343       0.43867256 
           0.41808752       0.40708555       0.51448234 
           0.58511150       0.57413163       0.28575419 
           0.41844484       0.74079830       0.20926536 
           0.58665831       0.90592579       0.59160051 
           0.41844484       0.74079830       0.36224303 
           0.58532507       0.90718389       0.43858281 
           0.41792018       0.74038532       0.51698385 
           0.58511150       0.90746497       0.28575419 
           0.75177817       0.07413163       0.20926536 
           0.91868016       0.23942350       0.59212392 
           0.75177817       0.07413163       0.36224303 
           0.91867690       0.24072210       0.43872837 
           0.75228446       0.07364132       0.51636176 
           0.91844484       0.24079830       0.28575419 
           0.75177817       0.40746497       0.20926536 
           0.91468318       0.57586487       0.59070574 
           0.75177817       0.40746497       0.36224303 
           0.91862732       0.57412609       0.43865982 
           0.75190452       0.40734059       0.51679143 
           0.91844484       0.57413163       0.28575419 
           0.75177817       0.74079830       0.20926536 
           0.92016568       0.90687943       0.59124243 
           0.75177817       0.74079830       0.36224303 
           0.91881642       0.90719563       0.43861895 
           0.75174498       0.74026760       0.51641984 
           0.91844484       0.90746497       0.28575419 
           0.09515462       0.08406503       0.67077105 
           0.06224446       0.41431970       0.66865956 
           0.08388866       0.74678769       0.67004282 
           0.43428261       0.12145478       0.66427201 
           0.37749443       0.42042988       0.69043648 
           0.41989248       0.74689070       0.66890240 
           0.75762824       0.06807502       0.66940639 
           0.68273150       0.38839604       0.66492217 
           0.75141023       0.72864882       0.66950391 
           0.10468159       0.18231960       0.68908741 
           0.10718245       0.99123359       0.69162207 
           0.96603351       0.37862324       0.68151739 
           0.07712283       0.51070397       0.68127361 
           0.18475395       0.74246530       0.68705697 
           0.00106240       0.77287618       0.69009207 
           0.34190019       0.10944165       0.68484541 
           0.52893359       0.11911469       0.68139357 
           0.27886582       0.39399025       0.69108048 
           0.29490263       0.58699898       0.78390925 
           0.41520153       0.84497984       0.68673025 
           0.43184234       0.66892959       0.68759549 
           0.72318502       0.97579935       0.68400222 
           0.86208761       0.08786061       0.68250610 
           0.71349918       0.28979516       0.68054696 
           0.66162990       0.46328329       0.68496218 
           0.67572215       0.75197599       0.68569957 
           0.80634526       0.65921962       0.68998466 
           0.24636109       0.18488333       0.81848571 
           0.16417948       0.48250915       0.77520086 
           0.93361868       0.53373903       0.81286348 
           0.19512439       0.49326052       0.92337669 
           0.12748822       0.60836776       0.91242843 
           0.23379302       0.60853238       0.93816540 
           0.60630109       0.48407767       0.82888755 
           0.56298190       0.56761015       0.77818771 
           0.64385527       0.41123959       0.79370972 
           0.51529372       0.29314981       0.85825695 
           0.54257468       0.21375708       0.81926271 
           0.38281381       0.24700139       0.82882337 
           0.43319134       0.42804119       0.79405622 
           0.38333719       0.49401059       0.83952479 
           0.33979775       0.55543963       0.88697651 
           0.22722212       0.49291476       0.80444898 
           0.22047259       0.56993653       0.91329308 
           0.57686027       0.48065997       0.79850231 
           0.47249990       0.28333214       0.82788936 
   
  
  
           1 
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           4 
           5 
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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 
   
  
  
          0.08511150       0.07413163       0.28575419 
          0.25399862       0.24350517       0.51692650 
          0.08482914       0.07435831       0.43959944 
          0.25177817       0.24079830       0.36224303 
          0.08768038       0.07503658       0.60107973 
          0.25177817       0.24079830       0.20926536 
          0.08511150       0.40746497       0.28575419 
          0.25315824       0.57164369       0.51730800 
          0.08598978       0.40739333       0.44014584 
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          0.47249990       0.28333214       0.82788936 
  
  
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      61.33   61.34
      62.29   62.30
   
       2759.81566181 
     467926.80757585 
    -563887.78475649 
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      82476.61415358 
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          0.00187360 
      -2002.31861152 
     104348.45207405 
      14941.18628087 
      14941.18440727 
      14941.18565634 
   
  
  
      60.06   60.09
      60.06   60.09
   
       1652.64648454 
       1652.66437633 
       1652.65244847