vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 28 
  23:45:43 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       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 
    
   
   
           0.32795950       0.48947719       0.53026857 
           0.50039379       0.48016827       0.53162796 
           0.41042772       0.42990892       0.65681160 
           0.41434036       0.51894936       0.39683661 
           0.50413555       0.70528790       0.68759189 
           0.23004737       0.64833280       0.68905674 
           0.53860890       0.23210059       0.42390970 
           0.58832454       0.26142200       0.64962185 
           0.22523668       0.25972672       0.57789126 
           0.19345756       0.38375977       0.37359078 
           0.24989712       0.36896201       0.49035594 
           0.57009954       0.33048163       0.52286447 
           0.54726819       0.62253984       0.58931287 
           0.28405221       0.63757668       0.57189215 
           0.61484564       0.52106374       0.36435685 
           0.41141618       0.47403133       0.75700612 
           0.41239874       0.32041523       0.66734442 
           0.42150401       0.62195438       0.35969146 
           0.41151547       0.45170387       0.31009711 
           0.44081943       0.74831265       0.65028116 
           0.54951768       0.78787939       0.71360761 
           0.48915918       0.64882928       0.77970946 
           0.26704202       0.61824487       0.77988538 
           0.20939782       0.75332772       0.70003477 
           0.16983610       0.58519611       0.68131680 
           0.58176470       0.14242884       0.42805055 
           0.54143871       0.27241374       0.32153699 
           0.46930253       0.19812011       0.44367231 
           0.61187824       0.33155285       0.72647825 
           0.64061840       0.18551500       0.63283774 
           0.52954614       0.20770594       0.69082307 
           0.27345793       0.25148374       0.66023589 
           0.22466635       0.16379050       0.52284625 
           0.15812288       0.27354290       0.62205382 
           0.19110070       0.29009105       0.31496061 
           0.21923163       0.46335093       0.30813334 
           0.12405475       0.40979867       0.40082520 
           0.63670353       0.60262589       0.40615354 
           0.63665055       0.44370711       0.41976684 
   
  
  
           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 
          37 
          38 
          39 
  
 
 
  
          1        2        2 
         0.00000000       0.00000000       0.00000000 
         1.00000000       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 
          0.00000000       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.00000000       0.50000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       86
       -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
   
   
         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      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
   
  
  
       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
  
  
        2
        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 
   
  
  
          0.32795950       0.48947719       0.53026857 
          0.50039379       0.48016827       0.53162796 
          0.41042772       0.42990892       0.65681160 
          0.41434036       0.51894936       0.39683661 
          0.50413555       0.70528790       0.68759189 
          0.23004737       0.64833280       0.68905674 
          0.53860890       0.23210059       0.42390970 
          0.58832454       0.26142200       0.64962185 
          0.22523668       0.25972672       0.57789126 
          0.19345756       0.38375977       0.37359078 
          0.24989712       0.36896201       0.49035594 
          0.57009954       0.33048163       0.52286447 
          0.54726819       0.62253984       0.58931287 
          0.28405221       0.63757668       0.57189215 
          0.61484564       0.52106374       0.36435685 
          0.41141618       0.47403133       0.75700612 
          0.41239874       0.32041523       0.66734442 
          0.42150401       0.62195438       0.35969146 
          0.41151547       0.45170387       0.31009711 
          0.44081943       0.74831265       0.65028116 
          0.54951768       0.78787939       0.71360761 
          0.48915918       0.64882928       0.77970946 
          0.26704202       0.61824487       0.77988538 
          0.20939782       0.75332772       0.70003477 
          0.16983610       0.58519611       0.68131680 
          0.58176470       0.14242884       0.42805055 
          0.54143871       0.27241374       0.32153699 
          0.46930253       0.19812011       0.44367231 
          0.61187824       0.33155285       0.72647825 
          0.64061840       0.18551500       0.63283774 
          0.52954614       0.20770594       0.69082307 
          0.27345793       0.25148374       0.66023589 
          0.22466635       0.16379050       0.52284625 
          0.15812288       0.27354290       0.62205382 
          0.19110070       0.29009105       0.31496061 
          0.21923163       0.46335093       0.30813334 
          0.12405475       0.40979867       0.40082520 
          0.63670353       0.60262589       0.40615354 
          0.63665055       0.44370711       0.41976684 
  
 
 
  
      11.55   11.65
      12.31   12.41
   
         21.59967643 
       4004.59038308 
      -6630.76330859 
        277.27644514 
       2535.09324019 
      -2512.33111915 
         -0.00212692 
       -571.51240055 
       3508.37606032 
        632.32684994 
        632.32897687 
        632.32755892 
   
  
  
      14.88   14.90
      14.88   14.90
   
        -37.93801094 
        -37.94068920 
        -37.93890370 
   
  
  
      14.10   14.12
      14.10   14.12
   
       -179.43137164 
       -179.44322334 
       -179.43532221 
   
  
  
      14.49   14.51
      14.49   14.51
   
       -184.99461703 
       -185.00615388 
       -184.99846264 
   
  
  
      14.46   14.48
      14.55   14.57
   
       -185.08814585 
       -185.09968859 
       -185.09199343 
   
  
  
      12.61   12.63
      13.38   13.40
   
        -89.01337735 
        -89.01932366 
        -89.01535945 
   
  
  
      13.01   13.03
      13.61   13.64
   
       -147.28267421 
       -147.28884111 
       -147.28472984 
   
  
  
      13.25   13.27
      13.79   13.80
   
       -163.30150765 
       -163.30889731 
       -163.30397087 
   
  
  
      12.40   12.42
      12.93   12.95
   
       -189.24686483 
       -189.26291252 
       -189.25221406 
   
  
  
      12.50   12.51
      13.01   13.02
   
       -199.93832282 
       -199.96268075 
       -199.94644213 
   
  
  
      12.57   12.58
      13.10   13.11
   
       -205.14740777 
       -205.17044120 
       -205.15508558 
   
  
  
      12.05   12.07
      12.57   12.58
   
       -208.36558106 
       -208.38976948 
       -208.37364387 
   
  
  
      13.03   13.04
      13.59   13.60
   
       -208.94583901 
       -208.97086922 
       -208.95418241 
   
  
  
      11.80   11.82
      12.32   12.34
   
       -209.65606047 
       -209.68425304 
       -209.66545799 
   
  
  
      12.58   12.60
      13.12   13.14
   
       -209.85547189 
       -209.88362907 
       -209.86485762