vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 16 
  19:55:17 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.75000000      0.32000000      0.77000000      1.11000000      0.73000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           20.00000000       0.00000000       0.00000000 
            0.00000000      15.00000000       0.00000000 
            0.00000000       0.00000000      15.00000000 
    
       4500.00000000 
    
            0.05000000       0.00000000       0.00000000 
            0.00000000       0.06666667       0.00000000 
            0.00000000       0.00000000       0.06666667 
    
   
   
           0.54834029       0.34645105       0.52495998 
           0.58979278       0.36490815       0.56322360 
           0.57557219       0.30788576       0.47989913 
           0.35092772       0.76993509       0.54644820 
           0.29180744       0.70900993       0.61705036 
           0.37639414       0.66772313       0.61215480 
           0.23230388       0.80495048       0.37185596 
           0.23853811       0.86179470       0.48575403 
           0.31346645       0.84241818       0.41649646 
           0.33147135       0.31777600       0.54090386 
           0.35479673       0.32388999       0.49743189 
           0.33735334       0.43495751       0.53135927 
           0.30082678       0.20298688       0.42748552 
           0.26497809       0.24216507       0.53560325 
           0.20489811       0.21595762       0.44258510 
           0.21167829       0.73847150       0.59719576 
           0.17028307       0.65310758       0.54147754 
           0.23517967       0.58305866       0.59466054 
           0.16538522       0.47058072       0.54205490 
           0.15190745       0.40686187       0.43189364 
           0.18226835       0.34641604       0.53642205 
           0.21083369       0.51509232       0.37357124 
           0.31232389       0.51587665       0.44776874 
           0.27232472       0.56493044       0.51966089 
           0.34045759       0.70860903       0.58513143 
           0.26090709       0.81929313       0.43209191 
           0.35039594       0.41906284       0.46023098 
           0.25697736       0.23833504       0.45945856 
           0.18935424       0.66749484       0.60727552 
           0.16368487       0.40806750       0.49849115 
           0.24892925       0.43379075       0.44498412 
           0.22921327       0.64354513       0.41799084 
           0.32785424       0.59960552       0.51524488 
           0.27166226       0.72935821       0.46197837 
           0.26300223       0.42840539       0.59494670 
           0.26447930       0.32242183       0.41049858 
   
  
  
           1 
           2 
           3 
           4 
           5 
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           7 
           8 
           9 
          10 
          11 
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          13 
          14 
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          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
  
 
 
  
          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 
          0.50000000       0.00000000       0.50000000 
          0.00000000       0.50000000       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
       81
       -1
       -1
        87.00000000
        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
   
   
         2
     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  
   
   
       200
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000003
           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
   
  
  
       98
       80
       80
      196
      160
      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
         0.75000000      0.32000000      0.77000000      1.11000000      0.73000000
      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  
        14.00100000      1.00000000     12.01100000     28.08500000     16.00000000
         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
        75.00000000
         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
      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  
  
 
 
        36 
         5 
  
   ion
   element
   atomtype
   
    N    1
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    C    3
    C    3
    C    3
    C    3
    C    3
    C    3
    C    3
    Si   4
    Si   4
    O    5
    O    5
    O    5
    O    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
      22H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       7C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       4O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
          20.00000000       0.00000000       0.00000000 
           0.00000000      15.00000000       0.00000000 
           0.00000000       0.00000000      15.00000000 
   
      4500.00000000 
   
           0.05000000       0.00000000       0.00000000 
           0.00000000       0.06666667       0.00000000 
           0.00000000       0.00000000       0.06666667 
   
  
  
          0.54834029       0.34645105       0.52495998 
          0.58979278       0.36490815       0.56322360 
          0.57557219       0.30788576       0.47989913 
          0.35092772       0.76993509       0.54644820 
          0.29180744       0.70900993       0.61705036 
          0.37639414       0.66772313       0.61215480 
          0.23230388       0.80495048       0.37185596 
          0.23853811       0.86179470       0.48575403 
          0.31346645       0.84241818       0.41649646 
          0.33147135       0.31777600       0.54090386 
          0.35479673       0.32388999       0.49743189 
          0.33735334       0.43495751       0.53135927 
          0.30082678       0.20298688       0.42748552 
          0.26497809       0.24216507       0.53560325 
          0.20489811       0.21595762       0.44258510 
          0.21167829       0.73847150       0.59719576 
          0.17028307       0.65310758       0.54147754 
          0.23517967       0.58305866       0.59466054 
          0.16538522       0.47058072       0.54205490 
          0.15190745       0.40686187       0.43189364 
          0.18226835       0.34641604       0.53642205 
          0.21083369       0.51509232       0.37357124 
          0.31232389       0.51587665       0.44776874 
          0.27232472       0.56493044       0.51966089 
          0.34045759       0.70860903       0.58513143 
          0.26090709       0.81929313       0.43209191 
          0.35039594       0.41906284       0.46023098 
          0.25697736       0.23833504       0.45945856 
          0.18935424       0.66749484       0.60727552 
          0.16368487       0.40806750       0.49849115 
          0.24892925       0.43379075       0.44498412 
          0.22921327       0.64354513       0.41799084 
          0.32785424       0.59960552       0.51524488 
          0.27166226       0.72935821       0.46197837 
          0.26300223       0.42840539       0.59494670 
          0.26447930       0.32242183       0.41049858 
  
 
 
  
      28.99   29.03
      32.91   32.95
   
          6.34847707 
       6365.91526524 
      -8987.10915856 
        262.20331078 
       2564.72054280 
      -2541.99018201 
          0.00603197 
       -534.18971123 
       3504.07976474 
        639.98434079 
        639.97830883 
        639.98233014 
   
  
  
      47.01   47.08
      47.01   47.09
   
        103.21843454 
        103.21517509 
        103.21734806 
   
  
  
      41.75   41.92
      41.76   41.93
   
       -118.48078259 
       -118.45656897 
       -118.47271138 
   
  
  
      39.98   40.17
      39.98   40.17
   
       -139.21260446 
       -139.19079509 
       -139.20533467 
   
  
  
      39.30   39.45
      39.95   40.10
   
       -139.62987308 
       -139.60880277 
       -139.62284964 
   
  
  
      32.84   33.01
      38.70   38.87
   
        -65.83440160 
        -65.82110258 
        -65.82996859 
   
  
  
      37.15   37.31
      44.48   44.62
   
        -90.20580951 
        -90.20233316 
        -90.20465072 
   
  
  
      38.90   39.08
      48.08   48.25
   
       -101.18206119 
       -101.15461315 
       -101.17291184 
   
  
  
      38.42   38.59
      49.73   49.88
   
       -115.70174104 
       -115.68715775 
       -115.69687994 
   
  
  
      39.36   39.48
      52.50   52.60
   
       -125.97488545 
       -125.92699077 
       -125.95892055 
   
  
  
      36.25   36.43
      47.94   48.10
   
       -138.76893898 
       -138.82122792 
       -138.78636863 
   
  
  
      35.04   35.26
      45.57   45.78
   
       -140.94793233 
       -140.91887958 
       -140.93824808 
   
  
  
      33.65   33.78
      42.81   42.94
   
       -143.17279899 
       -143.15831668 
       -143.16797155 
   
  
  
      34.91   35.07
      42.81   42.97
   
       -145.54642302 
       -145.53490185 
       -145.54258263 
   
  
  
      34.96   35.16
      40.81   41.01
   
       -148.66216858 
       -148.67036155 
       -148.66489957 
   
  
  
      34.30   34.52
      40.75   40.96
   
       -153.98263324 
       -153.99753220 
       -153.98759956 
   
  
  
      36.85   37.01
      43.76   43.92
   
       -157.51325042 
       -157.53962789 
       -157.52204291 
   
  
  
      36.32   36.49
      44.44   44.61
   
       -159.88039613 
       -159.90833092 
       -159.88970772 
   
  
  
      34.08   34.25
      43.77   43.93
   
       -161.51859454 
       -161.55384925 
       -161.53034611 
   
  
  
      36.22   36.37
      46.35   46.50
   
       -162.44823994 
       -162.48636084 
       -162.46094691