vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 10 19 
  20:28:19 
 
 
  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      0.73000000      0.32000000      0.77000000      0.75000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           10.00000000       0.00000000       0.00000000 
            0.00000000      10.00000000       0.00000000 
            0.00000000       0.00000000      10.00000000 
    
       1000.00000000 
    
            0.10000000       0.00000000       0.00000000 
            0.00000000       0.10000000       0.00000000 
            0.00000000       0.00000000       0.10000000 
    
   
   
           0.62230490       0.61843357       0.45936140 
           0.63605646       0.63824370       0.29412199 
           0.72910378       0.71859593       0.53546379 
           0.46489943       0.64275624       0.50852701 
           0.58732124       0.37831014       0.48239933 
           0.58351418       0.61138551       0.09684645 
           0.44546650       0.59663527       0.21105917 
           0.56503523       0.46414834       0.19645170 
           0.75660638       0.91864938       0.50029395 
           0.80229979       0.81257284       0.36289901 
           0.90807865       0.82071180       0.50746671 
           0.43173600       0.82740306       0.60408300 
           0.29082477       0.75324754       0.52327901 
           0.41826718       0.83120874       0.42515071 
           0.44015395       0.38752425       0.51788191 
           0.55263320       0.29657356       0.60534521 
           0.55280150       0.57412756       0.19599367 
           0.80393175       0.82343908       0.47223485 
           0.39873934       0.77149549       0.51546574 
           0.51252502       0.31518703       0.51377412 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
  
 
 
  
          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
       36
       -1
       -1
        51.00000000
        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
     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
           0.00000007
           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
   
  
  
       50
       50
       50
      100
      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      0.73000000      0.32000000      0.77000000      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
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000      1.00000000     12.01100000     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
        30.00000000
         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  
  
 
 
        20 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    O    2
    O    2
    O    2
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    C    4
    C    4
    C    4
    N    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       3O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      12H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       3C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
          10.00000000       0.00000000       0.00000000 
           0.00000000      10.00000000       0.00000000 
           0.00000000       0.00000000      10.00000000 
   
      1000.00000000 
   
           0.10000000       0.00000000       0.00000000 
           0.00000000       0.10000000       0.00000000 
           0.00000000       0.00000000       0.10000000 
   
  
  
          0.62230490       0.61843357       0.45936140 
          0.63605646       0.63824370       0.29412199 
          0.72910378       0.71859593       0.53546379 
          0.46489943       0.64275624       0.50852701 
          0.58732124       0.37831014       0.48239933 
          0.58351418       0.61138551       0.09684645 
          0.44546650       0.59663527       0.21105917 
          0.56503523       0.46414834       0.19645170 
          0.75660638       0.91864938       0.50029395 
          0.80229979       0.81257284       0.36289901 
          0.90807865       0.82071180       0.50746671 
          0.43173600       0.82740306       0.60408300 
          0.29082477       0.75324754       0.52327901 
          0.41826718       0.83120874       0.42515071 
          0.44015395       0.38752425       0.51788191 
          0.55263320       0.29657356       0.60534521 
          0.55280150       0.57412756       0.19599367 
          0.80393175       0.82343908       0.47223485 
          0.39873934       0.77149549       0.51546574 
          0.51252502       0.31518703       0.51377412 
  
 
 
  
   
   
   
          9.70459894 
       1315.07334185 
      -3050.20745646 
        160.51942880 
       1683.87943027 
      -1674.68789537 
         -0.00663597 
       -316.75756725 
       2255.45560034 
        382.97284515 
        382.97948112 
        382.97505714 
   
  
  
   
   
   
        -12.89362764 
        -12.88245939 
        -12.88990489 
   
  
  
   
   
   
       -112.55499212 
       -112.50299541 
       -112.53765989 
   
  
  
   
   
   
       -117.02368779 
       -116.96737411 
       -117.00491656 
   
  
  
   
   
   
       -117.10841100 
       -117.05200435 
       -117.08960879 
   
  
  
   
   
   
       -107.04983539 
       -106.99345648 
       -107.03104242 
   
  
  
   
   
   
       -105.83739777 
       -105.78106872 
       -105.81862142 
   
  
  
   
   
   
       -105.39467813 
       -105.33837492 
       -105.37591040 
   
  
  
   
   
   
       -105.34114110 
       -105.28485450 
       -105.32237890 
   
  
  
   
   
   
       -105.33330827 
       -105.27702944 
       -105.31454866 
   
  
  
   
   
   
       -105.33415267 
       -105.27787626 
       -105.31539387 
   
  
  
   
   
   
       -105.33534273 
       -105.27906845 
       -105.31658463 
   
  
  
   
   
   
       -105.33855047 
       -105.28227588 
       -105.31979227 
   
  
  
   
   
   
       -105.34382838 
       -105.28755398 
       -105.32507025 
   
  
  
   
   
   
       -105.34792361 
       -105.29165052 
       -105.32916591 
   
  
  
   
   
   
       -105.35088976 
       -105.29461973 
       -105.33213308 
   
  
  
   
   
   
       -105.35192586 
       -105.29565760 
       -105.33316978 
   
  
  
   
   
   
       -105.35225987 
       -105.29599247 
       -105.33350407