vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 09 01 
  23:29:28 
 
 
  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 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          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 
  
 
 
  
      26.64   26.72
      26.96   27.05
   
         17.07006205 
       5468.73142030 
      -9021.98949074 
        321.22526563 
       3500.83949608 
      -3483.02860171 
         -0.02985804 
       -636.79876154 
       4628.78486365 
        794.80439566 
        794.83425370 
        794.81434834 
   
  
  
      28.85   28.89
      28.85   28.89
   
         46.08136614 
         46.06894406 
         46.07722545 
   
  
  
      17.66   17.68
      17.66   17.69
   
       -192.70192067 
       -192.67111018 
       -192.69165051 
   
  
  
      15.00   15.02
      15.00   15.03
   
       -206.86471084 
       -206.82994159 
       -206.85312109 
   
  
  
      26.71   26.73
      26.84   26.86
   
       -207.23928450 
       -207.20440667 
       -207.22765856 
   
  
  
      24.56   24.57
      24.92   24.94
   
       -189.57068200 
       -189.49518001 
       -189.54551467 
   
  
  
      26.73   26.77
      27.11   27.16
   
       -189.82870943 
       -189.80394433 
       -189.82045440