vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 03 20 
  04:00:04 
 
 
  No title
       0
  Normal
  Very Fast (RMM-DIIS)
   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 
    
   
   
           0.07233950       0.07177684       0.28210051 
           0.39530840       0.19084281       0.55578395 
           0.03652455       0.93796200       0.47427641 
           0.23900617       0.23844351       0.35858935 
           0.96712087       0.75520842       0.45226367 
           0.23900617       0.23844351       0.20561168 
           0.07233950       0.40511018       0.28210051 
           0.01985905       0.38410448       0.31761263 
           0.06632603       0.24567523       0.44083007 
           0.23900617       0.57177684       0.35858935 
           0.37688680       0.98708217       0.41234731 
           0.23900617       0.57177684       0.20561168 
           0.07233950       0.73844351       0.28210051 
           0.18653515       0.79754920       0.55246268 
           0.05060326       0.63838710       0.46961918 
           0.23900617       0.90511018       0.35858935 
           0.79225888       0.79649954       0.69019705 
           0.23900617       0.90511018       0.20561168 
           0.40567284       0.07177684       0.28210051 
           0.64360916       0.20244489       0.46046743 
           0.39036567       0.03979692       0.41719472 
           0.57233950       0.23844351       0.35858935 
           0.44174486       0.11036084       0.36661309 
           0.57233950       0.23844351       0.20561168 
           0.40567284       0.40511018       0.28210051 
           0.41576574       0.35677260       0.37565454 
           0.39918830       0.24860699       0.31958291 
           0.57233950       0.57177684       0.35858935 
           0.30034354       0.22561096       0.48516599 
           0.57233950       0.57177684       0.20561168 
           0.40567284       0.73844351       0.28210051 
           0.59497797       0.97167698       0.57273772 
           0.34640301       0.63204762       0.41790890 
           0.57233950       0.90511018       0.35858935 
           0.99717465       0.79801834       0.33894316 
           0.57233950       0.90511018       0.20561168 
           0.73900617       0.07177684       0.28210051 
           0.99819840       0.93928160       0.58168079 
           0.77574193       0.02151157       0.43254722 
           0.90567284       0.23844351       0.35858935 
           0.75424685       0.64423350       0.67499015 
           0.90567284       0.23844351       0.20561168 
           0.73900617       0.40511018       0.28210051 
           0.97014486       0.24464587       0.49200723 
           0.66189744       0.26056889       0.43378289 
           0.90567284       0.57177684       0.35858935 
           0.38670635       0.94746840       0.61213438 
           0.90567284       0.57177684       0.20561168 
           0.73900617       0.73844351       0.28210051 
           0.98992611       0.73721608       0.46229994 
           0.76148452       0.65493510       0.51851258 
           0.90567284       0.90511018       0.35858935 
           0.89650244       0.63718619       0.92016366 
           0.90567284       0.90511018       0.20561168 
           0.07233950       0.07177684       0.20561168 
           0.77501634       0.71071799       0.72783263 
           0.07233950       0.07177684       0.35858935 
           0.20010835       0.14332566       0.50625019 
           0.11419945       0.97724083       0.53294648 
           0.23900617       0.23844351       0.28210051 
           0.07233950       0.40511018       0.20561168 
           0.00923632       0.61535799       0.55799567 
           0.07233950       0.40511018       0.35858935 
           0.24630449       0.47728467       0.50493481 
           0.09404063       0.17650533       0.50097977 
           0.23900617       0.57177684       0.28210051 
           0.07233950       0.73844351       0.20561168 
           0.21000240       0.72052507       0.50494464 
           0.07233950       0.73844351       0.35858935 
           0.21202047       0.75898006       0.47574097 
           0.05111944       0.56680184       0.45803831 
           0.23900617       0.90511018       0.28210051 
           0.40567284       0.07177684       0.20561168 
           0.70259746       0.58520318       0.73541657 
           0.40567284       0.07177684       0.35858935 
           0.58208139       0.14560236       0.50877135 
           0.39778604       0.00061054       0.54242981 
           0.57233950       0.23844351       0.28210051 
           0.40567284       0.40511018       0.20561168 
           0.58529385       0.61198369       0.55870569 
           0.40567284       0.40511018       0.35858935 
           0.51129766       0.45754258       0.47925304 
           0.32572130       0.16816575       0.40589429 
           0.57233950       0.57177684       0.28210051 
           0.40567284       0.73844351       0.20561168 
           0.85896903       0.12781884       0.36933512 
           0.40567284       0.73844351       0.35858935 
           0.55223742       0.81211196       0.45527004 
           0.38399669       0.67438388       0.47844425 
           0.57233950       0.90511018       0.28210051 
           0.73900617       0.07177684       0.20561168 
           0.00510426       0.01290622       0.49889987 
           0.73900617       0.07177684       0.35858935 
           0.88225562       0.13478301       0.49277816 
           0.79586863       0.95567741       0.45861583 
           0.90567284       0.23844351       0.28210051 
           0.73900617       0.40511018       0.20561168 
           0.94265548       0.31023804       0.44300482 
           0.73900617       0.40511018       0.35858935 
           0.88838515       0.42924650       0.45470294 
           0.73217122       0.19626357       0.54083424 
           0.90567284       0.57177684       0.28210051 
           0.73900617       0.73844351       0.20561168 
           0.00757975       0.92485370       0.55959951 
           0.73900617       0.73844351       0.35858935 
           0.90340749       0.79719064       0.45399650 
           0.73881912       0.55099512       0.54265322 
           0.90567284       0.90511018       0.28210051 
           0.12791120       0.12113978       0.68450696 
           0.44308435       0.32479875       0.57644294 
           0.46707777       0.68986404       0.77264704 
           0.46599457       0.68396864       0.49502712 
           0.40128098       0.70376780       0.08882272 
           0.21721079       0.07561853       0.63291129 
           0.79781452       0.68752134       0.81077464 
           0.16401065       0.28987342       0.84942213 
           0.32828304       0.70241996       0.79305142 
           0.78912695       0.23044230       0.54504807 
           0.53844020       0.75894939       0.60315214 
           0.37609988       0.88273447       0.04207422 
           0.45174782       0.03987197       0.68786500 
           0.61108478       0.93385800       0.76359449 
           0.94493224       0.19022339       0.44970499 
           0.70827435       0.38229767       0.57679650 
           0.14067691       0.21015723       0.06054996 
           0.93593504       0.49512662       0.06113532 
           0.11432249       0.53687394       0.99433931 
           0.82530594       0.84917568       0.52055851 
           0.52701193       0.85585834       0.39862381 
           0.09073294       0.92763641       0.82012267 
           0.04918465       0.97848371       0.62028117 
           0.09445719       0.81317763       0.49780091 
           0.80940815       0.02118956       0.69716405 
           0.48569186       0.55737333       0.65477105 
           0.99441917       0.71739412       0.20491529 
           0.34426836       0.90080520       0.14860934 
           0.86123249       0.68929442       0.35793742 
           0.33295735       0.00858578       0.69790687 
           0.70567825       0.12940155       0.24320443 
           0.72330832       0.22257304       0.94293234 
           0.15496471       0.00700173       0.51650004 
           0.08824090       0.77862791       0.99101797 
           0.60989987       0.12168274       0.75532779 
           0.61894114       0.07248894       0.18499100 
           0.12987022       0.93165773       0.16623036 
           0.42382001       0.86267992       0.53837289 
           0.62104703       0.36133916       0.84992666 
           0.07134045       0.43545171       0.36145468 
           0.02782856       0.99170397       0.40851216 
           0.30334475       0.62292254       0.62155507 
           0.16577554       0.19784227       0.56379599 
           0.90443708       0.23449103       0.40811797 
           0.41196495       0.04484226       0.89648461 
           0.92075121       0.91514626       0.59471563 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
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          17 
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          19 
          20 
          21 
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          25 
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          27 
          28 
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          30 
          31 
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          36 
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          44 
          45 
          46 
          47 
          48 
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          54 
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          96 
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         140 
         141 
         142 
         143 
         144 
         145 
         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
       48
       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
       -12
         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 
   
  
  
          0.07233950       0.07177684       0.28210051 
          0.39530840       0.19084281       0.55578395 
          0.03652455       0.93796200       0.47427641 
          0.23900617       0.23844351       0.35858935 
          0.96712087       0.75520842       0.45226367 
          0.23900617       0.23844351       0.20561168 
          0.07233950       0.40511018       0.28210051 
          0.01985905       0.38410448       0.31761263 
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