vasp 
  6.1.1  
  19Jun20 (build Jun 25 2020 02:42:34) complex                          parallel 
  Lin64 
  2021 06 20 
  20:39:06 
 
 
   No title
       0
   Normal
   Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      250.00000000
        1.11000000      0.32000000
   Auto
       1
        0.20000000
       1
   F  
   F  
       4
   Normal (blocked Davidson)
      60
       1
        0.00001000
       1
 
 
  
   
          15.36108000       0.00000000       0.00000000 
           0.00000000      15.36108000       0.00000000 
           0.00000000       0.00000000      20.86192000 
   
      4922.63661360 
   
           0.06509959       0.00000000       0.00000000 
           0.00000000       0.06509959       0.00000000 
           0.00000000       0.00000000       0.04793423 
   
  
  
          0.06286748       0.13105279       0.60350732 
          0.18766571       0.12539650       0.40558990 
          0.06266571       0.12539650       0.33979585 
          0.18876162       0.12976798       0.67038739 
          0.06262610       0.00073468       0.53922843 
          0.18766571       0.00039650       0.47062251 
          0.06266571       0.00039650       0.27395304 
          0.14103122       0.00249797       0.72225797 
          0.06256255       0.37457569       0.60763198 
          0.18766571       0.37539650       0.40558990 
          0.06266571       0.37539650       0.33979585 
          0.19322693       0.36695725       0.66980185 
          0.06265850       0.25407356       0.53621746 
          0.18766571       0.25039650       0.47062251 
          0.06266571       0.25039650       0.27395304 
          0.22966012       0.24851359       0.73717841 
          0.06127457       0.62437019       0.60534429 
          0.18766571       0.62539650       0.40558990 
          0.06266571       0.62539650       0.33979585 
          0.19156185       0.62426633       0.66677507 
          0.06250172       0.49879953       0.53950897 
          0.18766571       0.50039650       0.47062251 
          0.06266571       0.50039650       0.27395304 
          0.25699103       0.49676405       0.70239539 
          0.06182703       0.86868241       0.60071512 
          0.18766571       0.87539650       0.40558990 
          0.06266571       0.87539650       0.33979585 
          0.18571931       0.87775937       0.66737851 
          0.06272513       0.74544982       0.53535171 
          0.18766571       0.75039650       0.47062251 
          0.06266571       0.75039650       0.27395304 
          0.25631737       0.75153640       0.70324526 
          0.31156010       0.11945823       0.60204357 
          0.43766571       0.12539650       0.40558990 
          0.31266571       0.12539650       0.33979585 
          0.43946760       0.12540406       0.66566295 
          0.31244971       0.00089298       0.53280884 
          0.43766571       0.00039650       0.47062251 
          0.31266571       0.00039650       0.27395304 
          0.50082816       0.99687894       0.70528271 
          0.31319016       0.37457790       0.59690532 
          0.43766571       0.37539650       0.40558990 
          0.31266571       0.37539650       0.33979585 
          0.43376411       0.38403630       0.66872854 
          0.31217423       0.24606487       0.53603045 
          0.43766571       0.25039650       0.47062251 
          0.31266571       0.25039650       0.27395304 
          0.37511446       0.25334844       0.70428019 
          0.31617057       0.62649821       0.59631459 
          0.43766571       0.62539650       0.40558990 
          0.31266571       0.62539650       0.33979585 
          0.43163872       0.62484008       0.67053670 
          0.31299060       0.50045538       0.53316467 
          0.43766571       0.50039650       0.47062251 
          0.31266571       0.50039650       0.27395304 
          0.40110892       0.50249715       0.73733961 
          0.31329501       0.88175250       0.60189846 
          0.43766571       0.87539650       0.40558990 
          0.31266571       0.87539650       0.33979585 
          0.43649132       0.86791821       0.66905573 
          0.31285327       0.75488090       0.53584127 
          0.43766571       0.75039650       0.47062251 
          0.31266571       0.75039650       0.27395304 
          0.40137705       0.74842386       0.73564165 
          0.56451837       0.13217010       0.59996571 
          0.68766571       0.12539650       0.40558990 
          0.56266571       0.12539650       0.33979585 
          0.68592762       0.11996647       0.66859270 
          0.56296330       0.00011536       0.53882973 
          0.68766571       0.00039650       0.47062251 
          0.56266571       0.00039650       0.27395304 
          0.64672065       0.99954879       0.73327340 
          0.56367392       0.37730339       0.60655908 
          0.68766571       0.37539650       0.40558990 
          0.56266571       0.37539650       0.33979585 
          0.69410350       0.38200284       0.66852873 
          0.56291874       0.25621201       0.53586031 
          0.68766571       0.25039650       0.47062251 
          0.56266571       0.25039650       0.27395304 
          0.75163690       0.24954447       0.70365733 
          0.56334762       0.62538126       0.60923936 
          0.68766571       0.62539650       0.40558990 
          0.56266571       0.62539650       0.33979585 
          0.69519782       0.62353456       0.67057757 
          0.56270564       0.50222407       0.53962507 
          0.68766571       0.50039650       0.47062251 
          0.56266571       0.50039650       0.27395304 
          0.72753094       0.50098180       0.73682598 
          0.56381488       0.86977097       0.60270095 
          0.68766571       0.87539650       0.40558990 
          0.56266571       0.87539650       0.33979585 
          0.68731533       0.87617609       0.67088668 
          0.56264939       0.74583471       0.53680978 
          0.68766571       0.75039650       0.47062251 
          0.56266571       0.75039650       0.27395304 
          0.73093568       0.75090034       0.73017762 
          0.81328974       0.11992559       0.60236501 
          0.93766571       0.12539650       0.40558990 
          0.81266571       0.12539650       0.33979585 
          0.93591416       0.13360328       0.67009055 
          0.81266844       0.00055545       0.53350345 
          0.93766571       0.00039650       0.47062251 
          0.81266571       0.00039650       0.27395304 
          0.99348046       0.00182528       0.70704298 
          0.81333389       0.37549524       0.59618892 
          0.93766571       0.37539650       0.40558990 
          0.81266571       0.37539650       0.33979585 
          0.93195576       0.36677816       0.66977088 
          0.81288606       0.24658975       0.53593260 
          0.93766571       0.25039650       0.47062251 
          0.81266571       0.25039650       0.27395304 
          0.89658837       0.24974433       0.73973990 
          0.81084906       0.62814194       0.59693259 
          0.93766571       0.62539650       0.40558990 
          0.81266571       0.62539650       0.33979585 
          0.93190485       0.62868319       0.66813402 
          0.81257488       0.50233421       0.53365122 
          0.93766571       0.50039650       0.47062251 
          0.81266571       0.50039650       0.27395304 
          0.87213199       0.49802275       0.70356437 
          0.81089431       0.88191693       0.60241903 
          0.93766571       0.87539650       0.40558990 
          0.81266571       0.87539650       0.33979585 
          0.93658688       0.87166554       0.66737862 
          0.81228071       0.75585640       0.53589422 
          0.93766571       0.75039650       0.47062251 
          0.81266571       0.75039650       0.27395304 
          0.88852441       0.75126729       0.72878391 
          0.70049857       0.74610674       0.84130218 
          0.74434016       0.66686614       0.86857336 
          0.60459723       0.74108288       0.85451869 
          0.92250596       0.75132005       0.79635633 
          0.73755164       0.82506055       0.87408527 
  
 
 
          1 
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        129 
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        132 
        133 
 
 
  
          1        1        1 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       250.00000000
       400.00000000
         0.00001000
       38
       10
      328
       -1
       -1
       520.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -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
      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
      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
      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
        250.00000000
    
      T  
      F  
           0.00000000
           0.00000001
           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
   
  
  
       60
       60
       84
      120
      120
      168
    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      0.32000000
      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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000      1.00000000
         0.00000000      0.00000000
         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
        22.20738322
         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
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
       133 
         2 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    H    2
    H    2
    H    2
    H    2
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
     129Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       4H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          15.36108000       0.00000000       0.00000000 
           0.00000000      15.36108000       0.00000000 
           0.00000000       0.00000000      20.86192000 
   
      4922.63661360 
   
           0.06509959       0.00000000       0.00000000 
           0.00000000       0.06509959       0.00000000 
           0.00000000       0.00000000       0.04793423 
   
  
  
          0.06286748       0.13105279       0.60350732 
          0.18766571       0.12539650       0.40558990 
          0.06266571       0.12539650       0.33979585 
          0.18876162       0.12976798       0.67038739 
          0.06262610       0.00073468       0.53922843 
          0.18766571       0.00039650       0.47062251 
          0.06266571       0.00039650       0.27395304 
          0.14103122       0.00249797       0.72225797 
          0.06256255       0.37457569       0.60763198 
          0.18766571       0.37539650       0.40558990 
          0.06266571       0.37539650       0.33979585 
          0.19322693       0.36695725       0.66980185 
          0.06265850       0.25407356       0.53621746 
          0.18766571       0.25039650       0.47062251 
          0.06266571       0.25039650       0.27395304 
          0.22966012       0.24851359       0.73717841 
          0.06127457       0.62437019       0.60534429 
          0.18766571       0.62539650       0.40558990 
          0.06266571       0.62539650       0.33979585 
          0.19156185       0.62426633       0.66677507 
          0.06250172       0.49879953       0.53950897 
          0.18766571       0.50039650       0.47062251 
          0.06266571       0.50039650       0.27395304 
          0.25699103       0.49676405       0.70239539 
          0.06182703       0.86868241       0.60071512 
          0.18766571       0.87539650       0.40558990 
          0.06266571       0.87539650       0.33979585 
          0.18571931       0.87775937       0.66737851 
          0.06272513       0.74544982       0.53535171 
          0.18766571       0.75039650       0.47062251 
          0.06266571       0.75039650       0.27395304 
          0.25631737       0.75153640       0.70324526 
          0.31156010       0.11945823       0.60204357 
          0.43766571       0.12539650       0.40558990 
          0.31266571       0.12539650       0.33979585 
          0.43946760       0.12540406       0.66566295 
          0.31244971       0.00089298       0.53280884 
          0.43766571       0.00039650       0.47062251 
          0.31266571       0.00039650       0.27395304 
          0.50082816       0.99687894       0.70528271 
          0.31319016       0.37457790       0.59690532 
          0.43766571       0.37539650       0.40558990 
          0.31266571       0.37539650       0.33979585 
          0.43376411       0.38403630       0.66872854 
          0.31217423       0.24606487       0.53603045 
          0.43766571       0.25039650       0.47062251 
          0.31266571       0.25039650       0.27395304 
          0.37511446       0.25334844       0.70428019 
          0.31617057       0.62649821       0.59631459 
          0.43766571       0.62539650       0.40558990 
          0.31266571       0.62539650       0.33979585 
          0.43163872       0.62484008       0.67053670 
          0.31299060       0.50045538       0.53316467 
          0.43766571       0.50039650       0.47062251 
          0.31266571       0.50039650       0.27395304 
          0.40110892       0.50249715       0.73733961 
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          0.73755164       0.82506055       0.87408527 
  
  
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
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     F  F  F 
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     T  T  T 
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     T  T  T 
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     T  T  T 
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     T  T  T 
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      11.63   11.68
      12.42   12.46
   
        115.70992877 
      25994.04873521 
     -38556.22654037 
      -1213.98513609 
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       1533.95120303 
   
  
  
      13.42   13.46
      13.43   13.46
   
       -495.99555991 
       -496.04752858 
       -496.01288280 
   
  
  
      13.25   13.28
      13.25   13.28
   
       -666.79862304 
       -666.53399487 
       -666.71041365 
   
  
  
      10.50   10.55
      10.50   10.55
   
       -675.62948701 
       -675.37253421 
       -675.54383608