vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 12 19 
  22:12:13 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.77000000      0.32000000
        0.00300000     -0.04200000     -0.03700000     -0.01500000     -0.00600000     -1.26600000     -0.00200000     -0.00200000     -0.00200000     -0.00400000      0.00000000     -0.00100000      0.00000000      0.00000000     -0.00200000      0.00000000      0.00000000      0.00000000      0.00000000     -0.00100000
      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      0.00000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           12.00000000       0.00000000       0.00000000 
            0.00000000      12.00000000       0.00000000 
            0.00000000       0.00000000      12.00000000 
    
       1728.00000000 
    
            0.08333333       0.00000000       0.00000000 
            0.00000000       0.08333333       0.00000000 
            0.00000000       0.00000000       0.08333333 
    
   
   
           0.56024346       0.55774275       0.47930382 
           0.60216046       0.61283266       0.36238397 
           0.62805083       0.60975815       0.58637881 
           0.58207937       0.42361287       0.47920522 
           0.42462449       0.58208096       0.48993780 
           0.36664964       0.67858906       0.79244741 
           0.54955732       0.69672132       0.29522409 
           0.63714697       0.77308860       0.24573843 
           0.62609414       0.72579082       0.61392004 
           0.64537410       0.74169675       0.73767738 
           0.68166976       0.36702991       0.44471639 
           0.76997446       0.36405896       0.53524423 
           0.36063222       0.55715508       0.58452204 
           0.28264378       0.65994862       0.61980399 
           0.50221927       0.65474828       0.22847701 
           0.48919099       0.74425324       0.34586782 
           0.59733932       0.83654307       0.19267607 
           0.69642246       0.72573501       0.19430404 
           0.68421948       0.81604960       0.31175108 
           0.69122557       0.76979429       0.56586011 
           0.54434565       0.76324180       0.59053682 
           0.64767604       0.83033792       0.75850734 
           0.72539465       0.70321351       0.76226323 
           0.57827622       0.70123519       0.78598001 
           0.65617659       0.28152437       0.42243936 
           0.71502098       0.40666036       0.36842381 
           0.84292887       0.31684444       0.50651109 
           0.73709258       0.32357162       0.61096629 
           0.79662419       0.44890798       0.55771421 
           0.40924227       0.52925099       0.65585915 
           0.22454376       0.62306960       0.68111988 
           0.23576683       0.67988419       0.54325151 
           0.31423157       0.74745930       0.65451119 
           0.30412553       0.48214765       0.56123925 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
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          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
  
 
 
  
          2        2        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.00000000 
          0.00000000       0.50000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.50000000 
  
  
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       63
       -1
       -1
        86.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
          0.00300000     -0.04200000     -0.03700000     -0.01500000     -0.00600000     -1.26600000     -0.00200000     -0.00200000     -0.00200000     -0.00400000      0.00000000     -0.00100000      0.00000000      0.00000000     -0.00200000      0.00000000      0.00000000      0.00000000      0.00000000     -0.00100000
      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      0.00000000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       200
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000004
           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
   
  
  
       60
       60
       60
      120
      120
      120
    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
         1.11000000      0.73000000      0.77000000      0.32000000
      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  
        28.08500000     16.00000000     12.01100000      1.00000000
         0.00000000      0.00000000      0.00000000      0.00000000
         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
        30.49411765
         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
      200
        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  
  
 
 
        34 
         4 
  
   ion
   element
   atomtype
   
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    C    3
    C    3
    C    3
    C    3
    C    3
    C    3
    C    3
    C    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       5O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       8C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      20H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          12.00000000       0.00000000       0.00000000 
           0.00000000      12.00000000       0.00000000 
           0.00000000       0.00000000      12.00000000 
   
      1728.00000000 
   
           0.08333333       0.00000000       0.00000000 
           0.00000000       0.08333333       0.00000000 
           0.00000000       0.00000000       0.08333333 
   
  
  
          0.56024346       0.55774275       0.47930382 
          0.60216046       0.61283266       0.36238397 
          0.62805083       0.60975815       0.58637881 
          0.58207937       0.42361287       0.47920522 
          0.42462449       0.58208096       0.48993780 
          0.36664964       0.67858906       0.79244741 
          0.54955732       0.69672132       0.29522409 
          0.63714697       0.77308860       0.24573843 
          0.62609414       0.72579082       0.61392004 
          0.64537410       0.74169675       0.73767738 
          0.68166976       0.36702991       0.44471639 
          0.76997446       0.36405896       0.53524423 
          0.36063222       0.55715508       0.58452204 
          0.28264378       0.65994862       0.61980399 
          0.50221927       0.65474828       0.22847701 
          0.48919099       0.74425324       0.34586782 
          0.59733932       0.83654307       0.19267607 
          0.69642246       0.72573501       0.19430404 
          0.68421948       0.81604960       0.31175108 
          0.69122557       0.76979429       0.56586011 
          0.54434565       0.76324180       0.59053682 
          0.64767604       0.83033792       0.75850734 
          0.72539465       0.70321351       0.76226323 
          0.57827622       0.70123519       0.78598001 
          0.65617659       0.28152437       0.42243936 
          0.71502098       0.40666036       0.36842381 
          0.84292887       0.31684444       0.50651109 
          0.73709258       0.32357162       0.61096629 
          0.79662419       0.44890798       0.55771421 
          0.40924227       0.52925099       0.65585915 
          0.22454376       0.62306960       0.68111988 
          0.23576683       0.67988419       0.54325151 
          0.31423157       0.74745930       0.65451119 
          0.30412553       0.48214765       0.56123925 
  
 
 
  
      14.23   14.30
      16.16   16.23
   
         16.78333521 
       3766.77656950 
      -6586.34491607 
        280.38097109 
       2731.49734365 
      -2727.62239620 
         -0.00117909 
       -551.46203058 
       3690.97217068 
        620.97986819 
        620.98104728 
        620.98026122 
   
  
  
      17.57   17.62
      17.57   17.62
   
        -18.85534261 
        -18.86384429 
        -18.85817650 
   
  
  
      15.57   15.64
      15.58   15.64
   
       -193.72628741 
       -193.68556251 
       -193.71271245 
   
  
  
      16.18   16.24
      16.18   16.24
   
       -202.12578725 
       -202.08009430 
       -202.11055626 
   
  
  
      16.67   16.72
      16.91   16.95
   
       -202.27794760 
       -202.23233279 
       -202.26274266 
   
  
  
      15.14   15.19
      16.77   16.82
   
       -186.50431061 
       -186.45356579 
       -186.48739567 
   
  
  
      15.45   15.51
      17.09   17.15
   
       -184.39457848 
       -184.40757005 
       -184.39890900 
   
  
  
      15.01   15.07
      16.76   16.83
   
       -183.89824916 
       -183.91598118 
       -183.90415984 
   
  
  
      14.64   14.71
      15.94   16.01
   
       -183.88861423 
       -183.90984365 
       -183.89569071 
   
  
  
      14.60   14.68
      16.04   16.12
   
       -183.86485805 
       -183.88638259 
       -183.87203290 
   
  
  
      14.88   14.95
      16.33   16.40
   
       -183.85767227 
       -183.87819920 
       -183.86451458 
   
  
  
      14.14   14.23
      15.34   15.43
   
       -183.85193684 
       -183.87260973 
       -183.85882780 
   
  
  
      13.93   14.00
      14.99   15.06
   
       -183.84808289 
       -183.86932920 
       -183.85516499 
   
  
  
      13.56   13.64
      14.66   14.74
   
       -183.85012228 
       -183.87176352 
       -183.85733603 
   
  
  
      13.89   13.98
      14.91   15.01
   
       -183.85474077 
       -183.87653001 
       -183.86200385 
   
  
  
      13.84   13.91
      14.89   14.97
   
       -183.85947074 
       -183.88126676 
       -183.86673608 
   
  
  
      14.46   14.53
      15.49   15.57
   
       -183.86250839 
       -183.88433070 
       -183.86978249 
   
  
  
      14.66   14.77
      15.72   15.83
   
       -183.86261211 
       -183.88444175 
       -183.86988866 
   
  
  
      13.34   13.41
      14.58   14.65
   
       -183.85947246 
       -183.88137926 
       -183.86677473 
   
  
  
      13.93   14.01
      14.96   15.03
   
       -183.85789791 
       -183.87981278 
       -183.86520287 
   
  
  
      15.18   15.25
      16.42   16.49
   
       -183.85897306 
       -183.88085541 
       -183.86626717 
   
  
  
      13.98   14.06
      15.14   15.21
   
       -183.85903803 
       -183.88093874 
       -183.86633827 
   
  
  
      13.57   13.70
      14.78   14.91
   
       -183.86030072 
       -183.88229076 
       -183.86763073 
   
  
  
      13.99   14.07
      15.43   15.51
   
       -183.85905828 
       -183.88102299 
       -183.86637985 
   
  
  
      14.69   14.78
      15.73   15.81
   
       -183.86575631 
       -183.88771622 
       -183.87307628 
   
  
  
      13.73   13.80
      14.75   14.81
   
       -183.86793927 
       -183.88990639 
       -183.87526164 
   
  
  
      13.35   13.42
      14.31   14.38
   
       -183.86971372 
       -183.89158522 
       -183.87700422 
   
  
  
      11.10   11.18
      12.42   12.50
   
       -183.86730487 
       -183.88908424 
       -183.87456466 
   
  
  
      10.93   11.00
      12.41   12.48
   
       -183.87112251 
       -183.89297924 
       -183.87840809 
   
  
  
      10.67   10.72
      11.79   11.84
   
       -183.87112962 
       -183.89301634 
       -183.87842519 
   
  
  
      10.74   10.82
      11.78   11.86
   
       -183.86962272 
       -183.89150480 
       -183.87691674 
   
  
  
      10.49   10.55
      11.52   11.58
   
       -183.87275755 
       -183.89464423 
       -183.88005311 
   
  
  
       9.16    9.22
      10.44   10.50
   
       -183.87286809 
       -183.89474299 
       -183.88015973 
   
  
  
       8.88    8.95
      10.49   10.57
   
       -183.87306181 
       -183.89493562 
       -183.88035308 
   
  
  
       8.62    8.69
       9.85    9.92
   
       -183.87329692 
       -183.89517592 
       -183.88058992 
   
  
  
       7.03    7.11
       8.54    8.62
   
       -183.87343540 
       -183.89532800 
       -183.88073293 
   
  
  
       7.34    7.42
       8.63    8.71
   
       -183.87183561 
       -183.89373259 
       -183.87913460 
   
  
  
       7.63    7.68
       8.66    8.71
   
       -183.87322677 
       -183.89512699 
       -183.88052684 
   
  
  
       7.30    7.35
       8.32    8.37
   
       -183.87251564 
       -183.89441189 
       -183.87981439 
   
  
  
       7.51    7.56
       8.52    8.57
   
       -183.87312219 
       -183.89501909 
       -183.88042116 
   
  
  
       7.05    7.12
       8.14    8.21
   
       -183.87321963 
       -183.89512061 
       -183.88051996