vasp 
  6.1.1  
  19Jun20 (build Jun 25 2020 02:42:34) complex                          parallel 
  Lin64 
  2021 06 20 
  09:02:44 
 
 
   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 
   
  
  
          0.06371355       0.13042222       0.60197336 
          0.18760357       0.12524781       0.40436172 
          0.06260357       0.12524781       0.33856767 
          0.19008776       0.13314590       0.66885879 
          0.06277261       0.00074318       0.53756948 
          0.18760357       0.00024781       0.46939433 
          0.06260357       0.00024781       0.27272486 
          0.13588868       0.00352957       0.71153718 
          0.06411293       0.37451264       0.60565740 
          0.18760357       0.37524781       0.40436172 
          0.06260357       0.37524781       0.33856767 
          0.19369112       0.36619831       0.66892202 
          0.06281400       0.25361379       0.53488608 
          0.18760357       0.25024781       0.46939433 
          0.06260357       0.25024781       0.27272486 
          0.22924414       0.24912488       0.73834667 
          0.06221211       0.62368467       0.60323891 
          0.18760357       0.62524781       0.40436172 
          0.06260357       0.62524781       0.33856767 
          0.19161645       0.62335044       0.66540819 
          0.06284731       0.49833059       0.53755192 
          0.18760357       0.50024781       0.46939433 
          0.06260357       0.50024781       0.27272486 
          0.25705579       0.49595160       0.70143471 
          0.06221538       0.86928170       0.59909668 
          0.18760357       0.87524781       0.40436172 
          0.06260357       0.87524781       0.33856767 
          0.18652369       0.87547643       0.66538005 
          0.06269393       0.74564391       0.53408570 
          0.18760357       0.75024781       0.46939433 
          0.06260357       0.75024781       0.27272486 
          0.25657683       0.75014975       0.70225757 
          0.31155420       0.11961776       0.60009739 
          0.43760357       0.12524781       0.40436172 
          0.31260357       0.12524781       0.33856767 
          0.43877140       0.12525176       0.66419017 
          0.31234217       0.00080294       0.53135578 
          0.43760357       0.00024781       0.46939433 
          0.31260357       0.00024781       0.27272486 
          0.50006338       0.99690958       0.70470077 
          0.31308091       0.37456656       0.59562748 
          0.43760357       0.37524781       0.40436172 
          0.31260357       0.37524781       0.33856767 
          0.43356192       0.38368161       0.66761711 
          0.31212433       0.24635474       0.53448363 
          0.43760357       0.25024781       0.46939433 
          0.31260357       0.25024781       0.27272486 
          0.37446864       0.25314917       0.70298125 
          0.31595502       0.62648529       0.59500944 
          0.43760357       0.62524781       0.40436172 
          0.31260357       0.62524781       0.33856767 
          0.43106985       0.62410610       0.66932993 
          0.31286763       0.50036822       0.53189761 
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          0.31260357       0.50024781       0.27272486 
          0.40111995       0.50191163       0.73670553 
          0.31344517       0.88159865       0.60017474 
          0.43760357       0.87524781       0.40436172 
          0.31260357       0.87524781       0.33856767 
          0.43577942       0.86814186       0.66786578 
          0.31284142       0.75471157       0.53439640 
          0.43760357       0.75024781       0.46939433 
          0.31260357       0.75024781       0.27272486 
          0.40145994       0.74814687       0.73449519 
          0.56412927       0.13188221       0.59886900 
          0.68760357       0.12524781       0.40436172 
          0.56260357       0.12524781       0.33856767 
          0.68422914       0.11775563       0.66857753 
          0.56249954       0.00039835       0.53724953 
          0.68760357       0.00024781       0.46939433 
          0.56260357       0.00024781       0.27272486 
          0.64563090       0.99911266       0.73529067 
          0.56324058       0.37720998       0.60521603 
          0.68760357       0.37524781       0.40436172 
          0.56260357       0.37524781       0.33856767 
          0.69343901       0.38290051       0.66727427 
          0.56284372       0.25593906       0.53467519 
          0.68760357       0.25024781       0.46939433 
          0.56260357       0.25024781       0.27272486 
          0.74517962       0.24898461       0.70289085 
          0.56189033       0.62456479       0.60691702 
          0.68760357       0.62524781       0.40436172 
          0.56260357       0.62524781       0.33856767 
          0.69319805       0.62246325       0.66855827 
          0.56219416       0.50146814       0.53780618 
          0.68760357       0.50024781       0.46939433 
          0.56260357       0.50024781       0.27272486 
          0.72542223       0.50105405       0.73692702 
          0.56261616       0.87038222       0.60079178 
          0.68760357       0.87524781       0.40436172 
          0.56260357       0.87524781       0.33856767 
          0.68505571       0.87753068       0.66942269 
          0.56242772       0.74599340       0.53547207 
          0.68760357       0.75024781       0.46939433 
          0.56260357       0.75024781       0.27272486 
          0.72843431       0.75189138       0.73168583 
          0.81233710       0.11933672       0.60260839 
          0.93760357       0.12524781       0.40436172 
          0.81260357       0.12524781       0.33856767 
          0.93802739       0.12717218       0.66845620 
          0.81265504       0.00022339       0.53276624 
          0.93760357       0.00024781       0.46939433 
          0.81260357       0.00024781       0.27272486 
          0.98733593       0.00027783       0.72004673 
          0.81248120       0.37419789       0.59503387 
          0.93760357       0.37524781       0.40436172 
          0.81260357       0.37524781       0.33856767 
          0.93301006       0.36925685       0.66672467 
          0.81299045       0.24509774       0.53501923 
          0.93760357       0.25024781       0.46939433 
          0.81260357       0.25024781       0.27272486 
          0.89163643       0.24864543       0.72878650 
          0.81053713       0.62899574       0.59556774 
          0.93760357       0.62524781       0.40436172 
          0.81260357       0.62524781       0.33856767 
          0.93281040       0.62938091       0.66740672 
          0.81256913       0.50119401       0.53236793 
          0.93760357       0.50024781       0.46939433 
          0.81260357       0.50024781       0.27272486 
          0.86983977       0.49860670       0.70123440 
          0.81099159       0.88156172       0.60263014 
          0.93760357       0.87524781       0.40436172 
          0.81260357       0.87524781       0.33856767 
          0.93895609       0.87434990       0.66716711 
          0.81225925       0.75654327       0.53471848 
          0.93760357       0.75024781       0.46939433 
          0.81260357       0.75024781       0.27272486 
          0.88709145       0.75579518       0.73389178 
          0.73248290       0.75239319       0.87286100 
          0.76894780       0.66348766       0.89097289 
          0.63256126       0.74698713       0.87628861 
          0.86698854       0.78038052       0.82905201 
          0.75021473       0.80926649       0.93155282 
  
 
 
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        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 
   
  
  
          0.06371355       0.13042222       0.60197336 
          0.18760357       0.12524781       0.40436172 
          0.06260357       0.12524781       0.33856767 
          0.19008776       0.13314590       0.66885879 
          0.06277261       0.00074318       0.53756948 
          0.18760357       0.00024781       0.46939433 
          0.06260357       0.00024781       0.27272486 
          0.13588868       0.00352957       0.71153718 
          0.06411293       0.37451264       0.60565740 
          0.18760357       0.37524781       0.40436172 
          0.06260357       0.37524781       0.33856767 
          0.19369112       0.36619831       0.66892202 
          0.06281400       0.25361379       0.53488608 
          0.18760357       0.25024781       0.46939433 
          0.06260357       0.25024781       0.27272486 
          0.22924414       0.24912488       0.73834667 
          0.06221211       0.62368467       0.60323891 
          0.18760357       0.62524781       0.40436172 
          0.06260357       0.62524781       0.33856767 
          0.19161645       0.62335044       0.66540819 
          0.06284731       0.49833059       0.53755192 
          0.18760357       0.50024781       0.46939433 
          0.06260357       0.50024781       0.27272486 
          0.25705579       0.49595160       0.70143471 
          0.06221538       0.86928170       0.59909668 
          0.18760357       0.87524781       0.40436172 
          0.06260357       0.87524781       0.33856767 
          0.18652369       0.87547643       0.66538005 
          0.06269393       0.74564391       0.53408570 
          0.18760357       0.75024781       0.46939433 
          0.06260357       0.75024781       0.27272486 
          0.25657683       0.75014975       0.70225757 
          0.31155420       0.11961776       0.60009739 
          0.43760357       0.12524781       0.40436172 
          0.31260357       0.12524781       0.33856767 
          0.43877140       0.12525176       0.66419017 
          0.31234217       0.00080294       0.53135578 
          0.43760357       0.00024781       0.46939433 
          0.31260357       0.00024781       0.27272486 
          0.50006338       0.99690958       0.70470077 
          0.31308091       0.37456656       0.59562748 
          0.43760357       0.37524781       0.40436172 
          0.31260357       0.37524781       0.33856767 
          0.43356192       0.38368161       0.66761711 
          0.31212433       0.24635474       0.53448363 
          0.43760357       0.25024781       0.46939433 
          0.31260357       0.25024781       0.27272486 
          0.37446864       0.25314917       0.70298125 
          0.31595502       0.62648529       0.59500944 
          0.43760357       0.62524781       0.40436172 
          0.31260357       0.62524781       0.33856767 
          0.43106985       0.62410610       0.66932993 
          0.31286763       0.50036822       0.53189761 
          0.43760357       0.50024781       0.46939433 
          0.31260357       0.50024781       0.27272486 
          0.40111995       0.50191163       0.73670553 
          0.31344517       0.88159865       0.60017474 
          0.43760357       0.87524781       0.40436172 
          0.31260357       0.87524781       0.33856767 
          0.43577942       0.86814186       0.66786578 
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          0.64563090       0.99911266       0.73529067 
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          0.69343901       0.38290051       0.66727427 
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          0.68760357       0.25024781       0.46939433 
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          0.68760357       0.87524781       0.40436172 
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          0.68760357       0.75024781       0.46939433 
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          0.93760357       0.62524781       0.40436172 
          0.81260357       0.62524781       0.33856767 
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          0.76894780       0.66348766       0.89097289 
          0.63256126       0.74698713       0.87628861 
          0.86698854       0.78038052       0.82905201 
          0.75021473       0.80926649       0.93155282 
  
  
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      13.71   36.21
      15.71   39.02
   
        115.70992877 
      25636.49832908 
     -38209.08146605 
      -1214.97432849 
      11376.50626006 
      -9107.00841578 
         -0.02614612 
       -416.40086339 
      13344.57217335 
       1525.79547143 
       1525.82161755 
       1525.80418680 
   
  
  
      20.97   41.86
      20.97   41.86
   
       -495.74819161 
       -495.77471849 
       -495.75703390 
   
  
  
      11.04   34.54
      11.07   34.62
   
       -663.83763410 
       -663.58453271 
       -663.75326697 
   
  
  
      17.38   24.49
      17.41   24.56
   
       -672.54087082 
       -672.29223330 
       -672.45799165 
   
  
  
      10.66   16.15
      11.10   20.00
   
       -672.77265812 
       -672.52304992 
       -672.68945539 
   
  
  
      11.68   28.92
      13.09   31.56
   
       -659.75152809 
       -659.67640897 
       -659.72648839 
   
  
  
      12.22   18.73
      14.97   24.19
   
       -656.56507027 
       -656.44793341 
       -656.52602465 
   
  
  
      11.71   25.51
      16.38   32.95
   
       -656.37073882 
       -656.34289403 
       -656.36145722 
   
  
  
       9.54   25.65
      15.31   36.42
   
       -656.08368907 
       -656.02639112 
       -656.06458976 
   
  
  
      19.06   36.58
      21.02   40.97
   
       -656.01794156 
       -655.94800617 
       -655.99462976 
   
  
  
      10.23   15.20
      11.59   20.42
   
       -655.99945289 
       -655.92295903 
       -655.97395493 
   
  
  
      10.16   24.83
      13.30   28.99
   
       -655.99491234 
       -655.91689171 
       -655.96890547 
   
  
  
      21.21   36.67
      26.83   45.94
   
       -655.99316764 
       -655.91213687 
       -655.96615738 
   
  
  
       7.66   14.48
       9.13   18.48
   
       -655.99234533 
       -655.91314122 
       -655.96594396