vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 07 
  23:11:19 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       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 
    
   
   
           0.30511915       0.49244411       0.54965367 
           0.47534405       0.44610676       0.54737700 
           0.38564611       0.43316251       0.68245264 
           0.39410497       0.50951603       0.41782004 
           0.54047076       0.69171984       0.63388323 
           0.20803075       0.67727146       0.68333431 
           0.55987637       0.26266611       0.36333902 
           0.54755206       0.17967448       0.58792758 
           0.18497386       0.28601559       0.61337081 
           0.17764487       0.37581216       0.38837744 
           0.22360261       0.37659153       0.51610800 
           0.52697326       0.28709531       0.49693088 
           0.55200063       0.56102674       0.58270888 
           0.26898299       0.64694135       0.57856684 
           0.70447838       0.45143450       0.70155618 
           0.39316804       0.50174385       0.76761891 
           0.37555830       0.33204481       0.72144009 
           0.40472061       0.61146127       0.38070886 
           0.38722646       0.44219416       0.33233390 
           0.48767929       0.74401191       0.58054542 
           0.60326496       0.74560876       0.62167712 
           0.52216450       0.68749925       0.73924548 
           0.23635946       0.65355782       0.78234169 
           0.19387992       0.78488080       0.67956205 
           0.14471722       0.62233196       0.67200981 
           0.63173965       0.27241711       0.35782220 
           0.53255090       0.33664074       0.29664654 
           0.54251138       0.16530647       0.32063068 
           0.51275029       0.19845059       0.68020968 
           0.61792961       0.17352913       0.61280473 
           0.52877022       0.07945400       0.55394840 
           0.22221177       0.29006509       0.70770839 
           0.18653468       0.18169096       0.57683258 
           0.11454568       0.31060119       0.63544714 
           0.17778190       0.27455430       0.34415496 
           0.21067729       0.44374659       0.31763702 
           0.10730184       0.40746596       0.39797358 
           0.65017755       0.47335042       0.64603939 
           0.71863708       0.35797246       0.67388286 
   
  
  
           1 
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           5 
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           7 
           8 
           9 
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          28 
          29 
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          35 
          36 
          37 
          38 
          39 
  
 
 
  
          2        3        3 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.33333333       0.00000000 
         0.00000000       0.00000000       0.33333333 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.33333333       0.00000000 
          0.00000000       0.00000000       0.33333333 
          0.50000000       0.33333333       0.00000000 
          0.50000000       0.00000000       0.33333333 
          0.00000000       0.33333333       0.33333333 
          0.00000000      -0.33333333       0.33333333 
          0.50000000       0.33333333       0.33333333 
          0.50000000      -0.33333333       0.33333333 
  
  
          0.05555556 
          0.05555556 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
  
 
 
  
   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  
   
   
        60
        -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
  
  
        1
        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 
   
  
  
          0.30511915       0.49244411       0.54965367 
          0.47534405       0.44610676       0.54737700 
          0.38564611       0.43316251       0.68245264 
          0.39410497       0.50951603       0.41782004 
          0.54047076       0.69171984       0.63388323 
          0.20803075       0.67727146       0.68333431 
          0.55987637       0.26266611       0.36333902 
          0.54755206       0.17967448       0.58792758 
          0.18497386       0.28601559       0.61337081 
          0.17764487       0.37581216       0.38837744 
          0.22360261       0.37659153       0.51610800 
          0.52697326       0.28709531       0.49693088 
          0.55200063       0.56102674       0.58270888 
          0.26898299       0.64694135       0.57856684 
          0.70447838       0.45143450       0.70155618 
          0.39316804       0.50174385       0.76761891 
          0.37555830       0.33204481       0.72144009 
          0.40472061       0.61146127       0.38070886 
          0.38722646       0.44219416       0.33233390 
          0.48767929       0.74401191       0.58054542 
          0.60326496       0.74560876       0.62167712 
          0.52216450       0.68749925       0.73924548 
          0.23635946       0.65355782       0.78234169 
          0.19387992       0.78488080       0.67956205 
          0.14471722       0.62233196       0.67200981 
          0.63173965       0.27241711       0.35782220 
          0.53255090       0.33664074       0.29664654 
          0.54251138       0.16530647       0.32063068 
          0.51275029       0.19845059       0.68020968 
          0.61792961       0.17352913       0.61280473 
          0.52877022       0.07945400       0.55394840 
          0.22221177       0.29006509       0.70770839 
          0.18653468       0.18169096       0.57683258 
          0.11454568       0.31060119       0.63544714 
          0.17778190       0.27455430       0.34415496 
          0.21067729       0.44374659       0.31763702 
          0.10730184       0.40746596       0.39797358 
          0.65017755       0.47335042       0.64603939 
          0.71863708       0.35797246       0.67388286 
  
 
 
  
      47.52   47.69
      48.18   48.35
   
         21.59967643 
       3415.62897826 
      -6037.92831684 
        276.78703001 
       2535.09324019 
      -2512.33111915 
         -0.01649811 
       -584.48727650 
       3508.37606032 
        622.72177460 
        622.73827271 
        622.72727397 
   
  
  
      58.09   58.08
      58.09   58.08
   
        -42.70713559 
        -42.70849098 
        -42.70758739 
   
  
  
      55.31   55.30
      55.31   55.31
   
       -180.73317395 
       -180.74171881 
       -180.73602223 
   
  
  
      56.18   56.17
      56.19   56.18
   
       -186.07966395 
       -186.08834937 
       -186.08255909 
   
  
  
      56.84   56.83
      57.05   57.04
   
       -186.18129702 
       -186.18999786 
       -186.18419730 
   
  
  
      49.24   49.23
      50.18   50.17
   
        -87.63533613 
        -87.64217486 
        -87.63761571 
   
  
  
      52.24   52.23
      53.25   53.25
   
       -148.26879835 
       -148.27676626 
       -148.27145432 
   
  
  
      52.06   52.06
      52.97   52.97
   
       -163.86925307 
       -163.87915930 
       -163.87255514 
   
  
  
      49.03   49.02
      49.91   49.91
   
       -190.21776529 
       -190.23385252 
       -190.22312770 
   
  
  
      49.95   49.94
      50.87   50.86
   
       -200.23824479 
       -200.26285643 
       -200.24644867 
   
  
  
      50.38   50.38
      51.31   51.30
   
       -205.38027936 
       -205.40130224 
       -205.38728699