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 
   
  
  
          0.06344691       0.13052657       0.60257094 
          0.18763119       0.12531390       0.40490758 
          0.06263119       0.12531390       0.33911353 
          0.18980635       0.13258393       0.66932167 
          0.06264427       0.00079996       0.53818200 
          0.18763119       0.00031390       0.46994019 
          0.06263119       0.00031390       0.27327072 
          0.13804796       0.00335061       0.71444136 
          0.06366020       0.37442418       0.60635189 
          0.18763119       0.37531390       0.40490758 
          0.06263119       0.37531390       0.33911353 
          0.19364206       0.36620552       0.66923115 
          0.06276420       0.25374337       0.53534313 
          0.18763119       0.25031390       0.46994019 
          0.06263119       0.25031390       0.27327072 
          0.22933686       0.24900486       0.73840083 
          0.06162282       0.62403489       0.60411937 
          0.18763119       0.62531390       0.40490758 
          0.06263119       0.62531390       0.33911353 
          0.19158420       0.62354484       0.66578684 
          0.06261747       0.49832845       0.53822420 
          0.18763119       0.50031390       0.46994019 
          0.06263119       0.50031390       0.27327072 
          0.25701222       0.49604239       0.70165882 
          0.06172002       0.86898799       0.59987904 
          0.18763119       0.87531390       0.40490758 
          0.06263119       0.87531390       0.33911353 
          0.18620099       0.87595630       0.66590178 
          0.06275918       0.74556784       0.53447376 
          0.18763119       0.75031390       0.46994019 
          0.06263119       0.75031390       0.27327072 
          0.25646368       0.75045335       0.70260151 
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          0.31263119       0.12531390       0.33911353 
          0.43892279       0.12547034       0.66461806 
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          0.43763119       0.00031390       0.46994019 
          0.31263119       0.00031390       0.27327072 
          0.50019957       0.99706154       0.70489053 
          0.31320767       0.37467361       0.59608771 
          0.43763119       0.37531390       0.40490758 
          0.31263119       0.37531390       0.33911353 
          0.43376236       0.38373928       0.66796039 
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          0.43763119       0.25031390       0.46994019 
          0.31263119       0.25031390       0.27327072 
          0.37454933       0.25332377       0.70344917 
          0.31601575       0.62660706       0.59547828 
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          0.31263119       0.62531390       0.33911353 
          0.43126227       0.62426430       0.66972943 
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          0.31263119       0.50031390       0.27327072 
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          0.43588009       0.86813218       0.66836781 
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          0.31263119       0.75031390       0.27327072 
          0.40136968       0.74816413       0.73488265 
          0.56429672       0.13209665       0.59931800 
          0.68763119       0.12531390       0.40490758 
          0.56263119       0.12531390       0.33911353 
          0.68467550       0.11859781       0.66875765 
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          0.68763119       0.00031390       0.46994019 
          0.56263119       0.00031390       0.27327072 
          0.64581195       0.99921110       0.73446995 
          0.56357167       0.37724419       0.60572680 
          0.68763119       0.37531390       0.40490758 
          0.56263119       0.37531390       0.33911353 
          0.69381954       0.38253899       0.66780743 
          0.56287472       0.25607527       0.53512015 
          0.68763119       0.25031390       0.46994019 
          0.56263119       0.25031390       0.27327072 
          0.74745242       0.24910723       0.70342068 
          0.56250406       0.62494473       0.60775340 
          0.68763119       0.62531390       0.40490758 
          0.56263119       0.62531390       0.33911353 
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          0.68763119       0.50031390       0.46994019 
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          0.72614187       0.50089384       0.73695691 
          0.56300432       0.87018296       0.60162876 
          0.68763119       0.87531390       0.40490758 
          0.56263119       0.87531390       0.33911353 
          0.68633067       0.87629840       0.67083623 
          0.56243823       0.74609517       0.53588215 
          0.68763119       0.75031390       0.46994019 
          0.56263119       0.75031390       0.27327072 
          0.73047530       0.75221495       0.73642335 
          0.81251866       0.11963304       0.60254735 
          0.93763119       0.12531390       0.40490758 
          0.81263119       0.12531390       0.33911353 
          0.93721193       0.12968973       0.66896515 
          0.81259637       0.00063066       0.53300120 
          0.93763119       0.00031390       0.46994019 
          0.81263119       0.00031390       0.27327072 
          0.98942238       0.00054038       0.71505580 
          0.81289576       0.37465468       0.59544106 
          0.93763119       0.37531390       0.40490758 
          0.81263119       0.37531390       0.33911353 
          0.93275039       0.36819560       0.66784500 
          0.81294434       0.24575418       0.53541069 
          0.93763119       0.25031390       0.46994019 
          0.81263119       0.25031390       0.27327072 
          0.89361438       0.24901658       0.73310912 
          0.81110569       0.62907188       0.59621967 
          0.93763119       0.62531390       0.40490758 
          0.81263119       0.62531390       0.33911353 
          0.93149050       0.63076551       0.66959576 
          0.81263547       0.50145192       0.53283802 
          0.93763119       0.50031390       0.46994019 
          0.81263119       0.50031390       0.27327072 
          0.87064573       0.49805790       0.70195448 
          0.81100744       0.88204100       0.60257841 
          0.93763119       0.87531390       0.40490758 
          0.81263119       0.87531390       0.33911353 
          0.93693725       0.87148438       0.66879569 
          0.81226778       0.75654776       0.53509140 
          0.93763119       0.75031390       0.46994019 
          0.81263119       0.75031390       0.27327072 
          0.88706697       0.75620293       0.73963635 
          0.71720870       0.74918537       0.85886269 
          0.76119721       0.66621115       0.88339459 
          0.62110349       0.74358812       0.87135621 
          0.89143643       0.76959275       0.80720582 
          0.74677280       0.81393917       0.91062704 
  
 
 
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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 
   
  
  
          0.06344691       0.13052657       0.60257094 
          0.18763119       0.12531390       0.40490758 
          0.06263119       0.12531390       0.33911353 
          0.18980635       0.13258393       0.66932167 
          0.06264427       0.00079996       0.53818200 
          0.18763119       0.00031390       0.46994019 
          0.06263119       0.00031390       0.27327072 
          0.13804796       0.00335061       0.71444136 
          0.06366020       0.37442418       0.60635189 
          0.18763119       0.37531390       0.40490758 
          0.06263119       0.37531390       0.33911353 
          0.19364206       0.36620552       0.66923115 
          0.06276420       0.25374337       0.53534313 
          0.18763119       0.25031390       0.46994019 
          0.06263119       0.25031390       0.27327072 
          0.22933686       0.24900486       0.73840083 
          0.06162282       0.62403489       0.60411937 
          0.18763119       0.62531390       0.40490758 
          0.06263119       0.62531390       0.33911353 
          0.19158420       0.62354484       0.66578684 
          0.06261747       0.49832845       0.53822420 
          0.18763119       0.50031390       0.46994019 
          0.06263119       0.50031390       0.27327072 
          0.25701222       0.49604239       0.70165882 
          0.06172002       0.86898799       0.59987904 
          0.18763119       0.87531390       0.40490758 
          0.06263119       0.87531390       0.33911353 
          0.18620099       0.87595630       0.66590178 
          0.06275918       0.74556784       0.53447376 
          0.18763119       0.75031390       0.46994019 
          0.06263119       0.75031390       0.27327072 
          0.25646368       0.75045335       0.70260151 
          0.31156531       0.11969761       0.60063643 
          0.43763119       0.12531390       0.40490758 
          0.31263119       0.12531390       0.33911353 
          0.43892279       0.12547034       0.66461806 
          0.31236905       0.00088805       0.53186516 
          0.43763119       0.00031390       0.46994019 
          0.31263119       0.00031390       0.27327072 
          0.50019957       0.99706154       0.70489053 
          0.31320767       0.37467361       0.59608771 
          0.43763119       0.37531390       0.40490758 
          0.31263119       0.37531390       0.33911353 
          0.43376236       0.38373928       0.66796039 
          0.31214381       0.24642471       0.53498074 
          0.43763119       0.25031390       0.46994019 
          0.31263119       0.25031390       0.27327072 
          0.37454933       0.25332377       0.70344917 
          0.31601575       0.62660706       0.59547828 
          0.43763119       0.62531390       0.40490758 
          0.31263119       0.62531390       0.33911353 
          0.43126227       0.62426430       0.66972943 
          0.31290695       0.50049591       0.53239627 
          0.43763119       0.50031390       0.46994019 
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          0.89143643       0.76959275       0.80720582 
          0.74677280       0.81393917       0.91062704 
  
  
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
       8.33   13.26
       9.75   14.70
   
        115.70992877 
      25716.48151143 
     -38284.05985013 
      -1214.58477426 
      11376.50626006 
      -9107.00841578 
         -0.00974490 
       -418.83873144 
      13344.57217335 
       1528.76835710 
       1528.77810200 
       1528.77160540 
   
  
  
      17.56   28.66
      17.57   28.68
   
       -497.73494985 
       -497.80550811 
       -497.75846927 
   
  
  
      13.90   38.23
      13.92   38.32
   
       -666.04016956 
       -665.78074343 
       -665.95369418 
   
  
  
      20.60   28.07
      20.60   28.08
   
       -674.69272945 
       -674.44259515 
       -674.60935135 
   
  
  
      11.72   21.86
      11.94   22.67
   
       -674.89663564 
       -674.64574211 
       -674.81300446 
   
  
  
       7.60   20.11
       8.70   26.27
   
       -661.73758495 
       -661.67238631 
       -661.71585207 
   
  
  
      16.82   27.55
      18.41   31.88
   
       -658.35349014 
       -658.21365236 
       -658.30687754 
   
  
  
      11.19   18.94
      12.75   23.37
   
       -658.15019713 
       -658.12685792 
       -658.14241739 
   
  
  
      13.32   24.41
      14.84   30.01
   
       -657.91535719 
       -657.84986604 
       -657.89352681 
   
  
  
      17.81   26.46
      19.31   31.83
   
       -657.90534993 
       -657.83829491 
       -657.88299826 
   
  
  
       9.98   18.28
      11.50   23.77
   
       -657.87464455 
       -657.80053687 
       -657.84994199 
   
  
  
      19.56   36.11
      22.03   43.84
   
       -657.86899042 
       -657.79011381 
       -657.84269821 
   
  
  
      15.22   21.81
      16.27   25.89
   
       -657.86718429 
       -657.78644405 
       -657.84027088 
   
  
  
      17.80   26.73
      22.05   32.44
   
       -657.86682289 
       -657.78855008 
       -657.84073196 
   
  
  
      10.46   18.21
      20.49   34.14
   
       -657.86574023 
       -657.78622747 
       -657.83923598