vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 09 01 
  23:35:11 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.77000000      0.32000000      0.75000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           12.00000000       0.00000000       0.00000000 
            0.00000000      12.00000000       0.00000000 
            0.00000000       0.00000000      15.00000000 
    
       2160.00000000 
    
            0.08333333       0.00000000       0.00000000 
            0.00000000       0.08333333       0.00000000 
            0.00000000       0.00000000       0.06666667 
    
   
   
           0.37440834       0.36157984       0.32973854 
           0.45246967       0.51152976       0.49010648 
           0.40839853       0.41052960       0.42793021 
           0.36450395       0.61625048       0.46794728 
           0.45002991       0.47683455       0.59446769 
           0.58161418       0.54714137       0.47286573 
           0.42523209       0.45918995       0.26173431 
           0.43190418       0.24159294       0.30585226 
           0.24162740       0.35017920       0.31170925 
           0.37496936       0.72241440       0.50062738 
           0.35607942       0.43157502       0.64041856 
           0.62647231       0.59280752       0.39273043 
           0.41200355       0.45639744       0.16727985 
           0.54620953       0.22241911       0.30250516 
           0.16496903       0.43863184       0.32271459 
           0.28644837       0.72454822       0.60883092 
           0.44456320       0.74237657       0.53963470 
           0.34062537       0.78152655       0.46992270 
           0.37440398       0.37010034       0.67686805 
           0.32529726       0.48396852       0.67756055 
           0.29786374       0.40377538       0.60511926 
           0.70773567       0.55367602       0.38051966 
           0.57217463       0.57770737       0.33481627 
           0.63904642       0.68300845       0.40094988 
           0.49438706       0.46044254       0.13550374 
           0.36940599       0.38053524       0.14435215 
           0.36325162       0.52926264       0.14549026 
           0.55358565       0.15438531       0.27233713 
           0.59570229       0.27830046       0.27161352 
           0.58018197       0.21535619       0.36000564 
           0.17520297       0.47707198       0.38694645 
           0.17458055       0.50135338       0.27147213 
           0.08133190       0.40563471       0.31689136 
           0.19315619       0.83030558       0.62754107 
           0.28459609       0.85424999       0.68682837 
           0.25936132       0.59468665       0.63703582 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
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          21 
          22 
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          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
  
 
 
  
          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
       68
       -1
       -1
        99.00000000
        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
     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
           0.00000004
           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
       80
      120
      120
      160
    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      0.75000000
      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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000     12.01100000      1.00000000     14.00100000
         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
        36.00000000
         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  
  
 
 
        36 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    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
    N    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       7O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       6C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      20H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
          12.00000000       0.00000000       0.00000000 
           0.00000000      12.00000000       0.00000000 
           0.00000000       0.00000000      15.00000000 
   
      2160.00000000 
   
           0.08333333       0.00000000       0.00000000 
           0.00000000       0.08333333       0.00000000 
           0.00000000       0.00000000       0.06666667 
   
  
  
          0.37440834       0.36157984       0.32973854 
          0.45246967       0.51152976       0.49010648 
          0.40839853       0.41052960       0.42793021 
          0.36450395       0.61625048       0.46794728 
          0.45002991       0.47683455       0.59446769 
          0.58161418       0.54714137       0.47286573 
          0.42523209       0.45918995       0.26173431 
          0.43190418       0.24159294       0.30585226 
          0.24162740       0.35017920       0.31170925 
          0.37496936       0.72241440       0.50062738 
          0.35607942       0.43157502       0.64041856 
          0.62647231       0.59280752       0.39273043 
          0.41200355       0.45639744       0.16727985 
          0.54620953       0.22241911       0.30250516 
          0.16496903       0.43863184       0.32271459 
          0.28644837       0.72454822       0.60883092 
          0.44456320       0.74237657       0.53963470 
          0.34062537       0.78152655       0.46992270 
          0.37440398       0.37010034       0.67686805 
          0.32529726       0.48396852       0.67756055 
          0.29786374       0.40377538       0.60511926 
          0.70773567       0.55367602       0.38051966 
          0.57217463       0.57770737       0.33481627 
          0.63904642       0.68300845       0.40094988 
          0.49438706       0.46044254       0.13550374 
          0.36940599       0.38053524       0.14435215 
          0.36325162       0.52926264       0.14549026 
          0.55358565       0.15438531       0.27233713 
          0.59570229       0.27830046       0.27161352 
          0.58018197       0.21535619       0.36000564 
          0.17520297       0.47707198       0.38694645 
          0.17458055       0.50135338       0.27147213 
          0.08133190       0.40563471       0.31689136 
          0.19315619       0.83030558       0.62754107 
          0.28459609       0.85424999       0.68682837 
          0.25936132       0.59468665       0.63703582