vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 06 
  12:35:49 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.77000000      0.75000000      0.73000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           15.00000000       0.00000000       0.00000000 
            0.00000000      10.00000000       0.00000000 
            0.00000000       0.00000000      10.00000000 
    
       1500.00000000 
    
            0.06666667       0.00000000       0.00000000 
            0.00000000       0.10000000       0.00000000 
            0.00000000       0.00000000       0.10000000 
    
   
   
           0.32478513       0.49508753       0.54678610 
           0.50394425       0.51440961       0.50869513 
           0.41745868       0.43951464       0.65146392 
           0.40145715       0.53645852       0.40192671 
           0.49576191       0.74432959       0.66579792 
           0.22317015       0.64353595       0.70554648 
           0.56453498       0.20780262       0.39493278 
           0.59668462       0.23581660       0.63046498 
           0.21969191       0.26368853       0.58256444 
           0.19144497       0.39886099       0.37802865 
           0.24668533       0.37583230       0.49868879 
           0.56282502       0.27803731       0.50930361 
           0.53777704       0.65064706       0.59020027 
           0.28169686       0.64255850       0.59424536 
           0.62634820       0.49105585       0.46734938 
           0.42205613       0.48293429       0.75055099 
           0.41900959       0.33644454       0.67304104 
           0.41309909       0.63700215       0.36394979 
           0.40497603       0.47207058       0.31902477 
           0.43867039       0.78523000       0.60730986 
           0.54571888       0.82215301       0.68266148 
           0.47752426       0.69660108       0.76138224 
           0.25797756       0.60885568       0.79893190 
           0.20395157       0.74877285       0.71337855 
           0.16345642       0.58034900       0.68450329 
           0.63036123       0.17086865       0.36375005 
           0.52354034       0.25301225       0.31041897 
           0.52459987       0.12474384       0.43745393 
           0.56602369       0.29114995       0.72062949 
           0.66839708       0.20414347       0.64134500 
           0.55200512       0.14582317       0.63131679 
           0.26413101       0.25949196       0.67102795 
           0.22486160       0.17302844       0.52328969 
           0.15198917       0.28039847       0.61499397 
           0.19556116       0.31013761       0.31477048 
           0.21750678       0.48614481       0.32506718 
           0.12369153       0.41832319       0.40900208 
           0.62245403       0.61506626       0.39733685 
           0.61440939       0.31539855       0.51220740 
   
  
  
           1 
           2 
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           4 
           5 
           6 
           7 
           8 
           9 
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          28 
          29 
          30 
          31 
          32 
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          34 
          35 
          36 
          37 
          38 
          39 
  
 
 
  
          2        3        3 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.33333333       0.00000000 
         0.00000000       0.00000000       0.33333333 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.33333333       0.00000000 
          0.00000000       0.00000000       0.33333333 
          0.50000000       0.33333333       0.00000000 
          0.50000000       0.00000000       0.33333333 
          0.00000000       0.33333333       0.33333333 
          0.00000000      -0.33333333       0.33333333 
          0.50000000       0.33333333       0.33333333 
          0.50000000      -0.33333333       0.33333333 
  
  
          0.05555556 
          0.05555556 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       66
       -1
       -1
        92.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -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
     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
   
  
  
       80
       50
       50
      160
      100
      100
    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      0.77000000      0.75000000      0.73000000      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     12.01100000     14.00100000     16.00000000      1.00000000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         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
        23.07692308
         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  
  
 
 
        39 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    N    3
    N    3
    O    4
    O    4
    O    4
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       8C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       2N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
       3O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      24H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          15.00000000       0.00000000       0.00000000 
           0.00000000      10.00000000       0.00000000 
           0.00000000       0.00000000      10.00000000 
   
      1500.00000000 
   
           0.06666667       0.00000000       0.00000000 
           0.00000000       0.10000000       0.00000000 
           0.00000000       0.00000000       0.10000000 
   
  
  
          0.32478513       0.49508753       0.54678610 
          0.50394425       0.51440961       0.50869513 
          0.41745868       0.43951464       0.65146392 
          0.40145715       0.53645852       0.40192671 
          0.49576191       0.74432959       0.66579792 
          0.22317015       0.64353595       0.70554648 
          0.56453498       0.20780262       0.39493278 
          0.59668462       0.23581660       0.63046498 
          0.21969191       0.26368853       0.58256444 
          0.19144497       0.39886099       0.37802865 
          0.24668533       0.37583230       0.49868879 
          0.56282502       0.27803731       0.50930361 
          0.53777704       0.65064706       0.59020027 
          0.28169686       0.64255850       0.59424536 
          0.62634820       0.49105585       0.46734938 
          0.42205613       0.48293429       0.75055099 
          0.41900959       0.33644454       0.67304104 
          0.41309909       0.63700215       0.36394979 
          0.40497603       0.47207058       0.31902477 
          0.43867039       0.78523000       0.60730986 
          0.54571888       0.82215301       0.68266148 
          0.47752426       0.69660108       0.76138224 
          0.25797756       0.60885568       0.79893190 
          0.20395157       0.74877285       0.71337855 
          0.16345642       0.58034900       0.68450329 
          0.63036123       0.17086865       0.36375005 
          0.52354034       0.25301225       0.31041897 
          0.52459987       0.12474384       0.43745393 
          0.56602369       0.29114995       0.72062949 
          0.66839708       0.20414347       0.64134500 
          0.55200512       0.14582317       0.63131679 
          0.26413101       0.25949196       0.67102795 
          0.22486160       0.17302844       0.52328969 
          0.15198917       0.28039847       0.61499397 
          0.19556116       0.31013761       0.31477048 
          0.21750678       0.48614481       0.32506718 
          0.12369153       0.41832319       0.40900208 
          0.62245403       0.61506626       0.39733685 
          0.61440939       0.31539855       0.51220740 
  
 
 
  
      12.72   12.74
      13.03   13.05
   
         21.59967643 
       3894.41157832 
      -6509.58335177 
        266.93697316 
       2545.15452263 
      -2522.51425245 
         -0.00512374 
       -573.50651966 
       3508.37606032 
        630.86956325 
        630.87468699 
        630.87127117 
   
  
  
      15.91   15.93
      15.91   15.93
   
        -60.84098195 
        -60.84231674 
        -60.84142688 
   
  
  
      13.63   13.65
      13.63   13.66
   
       -220.44496435 
       -220.45728483 
       -220.44907118 
   
  
  
      14.12   14.13
      14.12   14.13
   
       -228.31419974 
       -228.32596805 
       -228.31812251 
   
  
  
      14.81   14.83
      14.92   14.93
   
       -228.54339040 
       -228.55513928 
       -228.54730669 
   
  
  
      13.44   13.48
      13.84   13.88
   
       -207.07547252 
       -207.10083215 
       -207.08392573 
   
  
  
      14.52   14.57
      14.94   14.99
   
       -204.32752661 
       -204.33912661 
       -204.33139328 
   
  
  
      15.06   15.11
      15.46   15.51
   
       -203.44579151 
       -203.45782136 
       -203.44980146 
   
  
  
      13.91   13.95
      14.32   14.37
   
       -203.13870286 
       -203.15162232 
       -203.14300935 
   
  
  
      13.81   13.86
      14.22   14.26
   
       -203.10061028 
       -203.11297129 
       -203.10473061 
   
  
  
      14.68   14.74
      15.10   15.17
   
       -203.08684598 
       -203.09959621 
       -203.09109605 
   
  
  
      13.49   13.54
      13.97   14.02
   
       -203.08254697 
       -203.09612891 
       -203.08707428 
   
  
  
      12.49   12.58
      12.98   13.06
   
       -203.08700243 
       -203.10219412 
       -203.09206632 
   
  
  
      14.02   14.07
      14.47   14.52
   
       -203.09532246 
       -203.11250518 
       -203.10105003 
   
  
  
      14.03   14.08
      14.43   14.48
   
       -203.10104611 
       -203.12113814 
       -203.10774346 
   
  
  
      14.37   14.42
      14.77   14.83
   
       -203.10197940 
       -203.12331937 
       -203.10909272 
   
  
  
      14.97   15.03
      15.39   15.44
   
       -203.10182026 
       -203.12129341 
       -203.10831131 
   
  
  
      14.15   14.21
      14.57   14.63
   
       -203.10291203 
       -203.11921995 
       -203.10834800 
   
  
  
      15.41   15.46
      15.86   15.91
   
       -203.10453707 
       -203.11880651 
       -203.10929355 
   
  
  
      15.72   15.76
      16.12   16.17
   
       -203.10599105 
       -203.11872456 
       -203.11023555 
   
  
  
      14.04   14.08
      14.52   14.56
   
       -203.10576014 
       -203.11945532 
       -203.11032520 
   
  
  
      13.89   13.95
      14.36   14.41
   
       -203.10789865 
       -203.12441440 
       -203.11340390 
   
  
  
      11.34   11.42
      11.72   11.80
   
       -203.10876749 
       -203.12808893 
       -203.11520797