vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 06 
  18:59:11 
 
 
  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      0.77000000      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 
    
   
   
           0.32393559       0.49955010       0.54369719 
           0.48387572       0.51942202       0.53726949 
           0.41766381       0.43257960       0.65695806 
           0.40574907       0.54368276       0.40063603 
           0.49695241       0.73240180       0.66387104 
           0.22514996       0.64640915       0.70448499 
           0.56231077       0.20771311       0.39331921 
           0.59060321       0.23133386       0.64111562 
           0.21916478       0.26843155       0.57862971 
           0.19312640       0.39586054       0.38252884 
           0.24986746       0.37817612       0.49798620 
           0.57246440       0.30290561       0.51085581 
           0.53448738       0.62641201       0.60158692 
           0.28495624       0.64922942       0.59056151 
           0.62034841       0.51025001       0.40945645 
           0.42653066       0.48815393       0.74726747 
           0.42669268       0.32448362       0.66967561 
           0.40503494       0.64685368       0.35884061 
           0.40748213       0.46820892       0.31481172 
           0.44463497       0.77708031       0.60882317 
           0.54383934       0.80954418       0.67655872 
           0.47482817       0.70940721       0.76224681 
           0.25486149       0.60741737       0.80029416 
           0.20202351       0.75095872       0.71756504 
           0.16874282       0.57803082       0.68010651 
           0.63066717       0.16357237       0.35459251 
           0.52674207       0.26481105       0.31377783 
           0.52084971       0.11473107       0.42394292 
           0.56721524       0.29423706       0.73036871 
           0.66547975       0.18923286       0.66217207 
           0.54859066       0.13124997       0.65155521 
           0.25961386       0.25812029       0.66676291 
           0.22180860       0.16885417       0.53004514 
           0.14974432       0.27988373       0.61394221 
           0.19348748       0.31097912       0.31014590 
           0.21912467       0.48200025       0.33029009 
           0.12318453       0.41822036       0.41091506 
           0.62797550       0.59427496       0.42760458 
           0.63042819       0.36111575       0.47807609 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
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          19 
          20 
          21 
          22 
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          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
       66
       -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
   
   
         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      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
   
  
  
       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
  
  
        3
        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
       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  
  
 
 
        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 
   
  
  
          0.32393559       0.49955010       0.54369719 
          0.48387572       0.51942202       0.53726949 
          0.41766381       0.43257960       0.65695806 
          0.40574907       0.54368276       0.40063603 
          0.49695241       0.73240180       0.66387104 
          0.22514996       0.64640915       0.70448499 
          0.56231077       0.20771311       0.39331921 
          0.59060321       0.23133386       0.64111562 
          0.21916478       0.26843155       0.57862971 
          0.19312640       0.39586054       0.38252884 
          0.24986746       0.37817612       0.49798620 
          0.57246440       0.30290561       0.51085581 
          0.53448738       0.62641201       0.60158692 
          0.28495624       0.64922942       0.59056151 
          0.62034841       0.51025001       0.40945645 
          0.42653066       0.48815393       0.74726747 
          0.42669268       0.32448362       0.66967561 
          0.40503494       0.64685368       0.35884061 
          0.40748213       0.46820892       0.31481172 
          0.44463497       0.77708031       0.60882317 
          0.54383934       0.80954418       0.67655872 
          0.47482817       0.70940721       0.76224681 
          0.25486149       0.60741737       0.80029416 
          0.20202351       0.75095872       0.71756504 
          0.16874282       0.57803082       0.68010651 
          0.63066717       0.16357237       0.35459251 
          0.52674207       0.26481105       0.31377783 
          0.52084971       0.11473107       0.42394292 
          0.56721524       0.29423706       0.73036871 
          0.66547975       0.18923286       0.66217207 
          0.54859066       0.13124997       0.65155521 
          0.25961386       0.25812029       0.66676291 
          0.22180860       0.16885417       0.53004514 
          0.14974432       0.27988373       0.61394221 
          0.19348748       0.31097912       0.31014590 
          0.21912467       0.48200025       0.33029009 
          0.12318453       0.41822036       0.41091506 
          0.62797550       0.59427496       0.42760458 
          0.63042819       0.36111575       0.47807609 
  
 
 
  
       3.29    3.30
       3.77    3.78
   
         21.59967643 
       3862.88605145 
      -6482.26168807 
        266.21584835 
       2545.15452263 
      -2522.51425245 
         -0.01219618 
       -599.50231206 
       3508.37606032 
        599.94171042 
        599.95390660 
        599.94577581 
   
  
  
       4.26    4.26
       4.26    4.26
   
        -71.07821286 
        -71.08711691 
        -71.08118088 
   
  
  
       3.60    3.61
       3.60    3.61
   
       -222.95063686 
       -222.96786384 
       -222.95637919 
   
  
  
       3.74    3.75
       3.74    3.75
   
       -229.94121784 
       -229.96692937 
       -229.94978835 
   
  
  
       3.92    3.93
       4.01    4.02
   
       -230.14627903 
       -230.17186067 
       -230.15480625 
   
  
  
       3.38    3.39
       3.83    3.85
   
       -209.48730131 
       -209.49965614 
       -209.49141959 
   
  
  
       3.71    3.72
       4.22    4.23
   
       -206.64951500 
       -206.66347993 
       -206.65416998 
   
  
  
       3.67    3.68
       4.32    4.33
   
       -205.77889467 
       -205.79134545 
       -205.78304493 
   
  
  
       3.72    3.73
       4.20    4.21
   
       -205.59697681 
       -205.60892077 
       -205.60095813 
   
  
  
       3.57    3.58
       3.98    3.99
   
       -205.57770208 
       -205.58981293 
       -205.58173903 
   
  
  
       3.55    3.56
       3.99    3.99
   
       -205.57241688 
       -205.58438964 
       -205.57640780 
   
  
  
       3.27    3.28
       3.68    3.69
   
       -205.57759007 
       -205.58953209 
       -205.58157074 
   
  
  
       3.35    3.35
       3.70    3.70
   
       -205.58514249 
       -205.59705183 
       -205.58911227 
   
  
  
       3.06    3.14
       3.40    3.48
   
       -205.59475380 
       -205.60667298 
       -205.59872686