vasp 
  6.1.1  
  19Jun20 (build Jun 25 2020 02:42:34) complex                          parallel 
  Lin64 
  2021 06 20 
  20:39:03 
 
 
   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 
   
  
  
          0.06266147       0.13050728       0.60261840 
          0.18763809       0.12533042       0.40504404 
          0.06263809       0.12533042       0.33924999 
          0.18946425       0.13280618       0.66919378 
          0.06238734       0.99979324       0.53893781 
          0.18763809       0.00033042       0.47007665 
          0.06263809       0.00033042       0.27340718 
          0.13568466       0.00324958       0.71197813 
          0.06263267       0.37502715       0.60651960 
          0.18763809       0.37533042       0.40504404 
          0.06263809       0.37533042       0.33924999 
          0.19306904       0.36684074       0.66912266 
          0.06264096       0.25401806       0.53552406 
          0.18763809       0.25033042       0.47007665 
          0.06263809       0.25033042       0.27340718 
          0.22966203       0.24945829       0.73787418 
          0.05906884       0.62551668       0.60662536 
          0.18763809       0.62533042       0.40504404 
          0.06263809       0.62533042       0.33924999 
          0.19106799       0.62363351       0.66585221 
          0.06210103       0.50023518       0.53958436 
          0.18763809       0.50033042       0.47007665 
          0.06263809       0.50033042       0.27340718 
          0.25690370       0.49649574       0.70149595 
          0.06020396       0.86828944       0.60131322 
          0.18763809       0.87533042       0.40504404 
          0.06263809       0.87533042       0.33924999 
          0.18618721       0.87488432       0.66615065 
          0.06234198       0.74543040       0.53537778 
          0.18763809       0.75033042       0.47007665 
          0.06263809       0.75033042       0.27340718 
          0.25716424       0.74962093       0.70270776 
          0.31151610       0.11942187       0.60083549 
          0.43763809       0.12533042       0.40504404 
          0.31263809       0.12533042       0.33924999 
          0.43909617       0.12497973       0.66460294 
          0.31238262       0.00078424       0.53191677 
          0.43763809       0.00033042       0.47007665 
          0.31263809       0.00033042       0.27340718 
          0.50001983       0.99645582       0.70470477 
          0.31282115       0.37443215       0.59611018 
          0.43763809       0.37533042       0.40504404 
          0.31263809       0.37533042       0.33924999 
          0.43344414       0.38380366       0.66783814 
          0.31219219       0.24609085       0.53516122 
          0.43763809       0.25033042       0.47007665 
          0.31263809       0.25033042       0.27340718 
          0.37485752       0.25306744       0.70312356 
          0.31581314       0.62632752       0.59535931 
          0.43763809       0.62533042       0.40504404 
          0.31263809       0.62533042       0.33924999 
          0.43144222       0.62449896       0.66948602 
          0.31290503       0.50018497       0.53236117 
          0.43763809       0.50033042       0.47007665 
          0.31263809       0.50033042       0.27340718 
          0.40099739       0.50228369       0.73650677 
          0.31327434       0.88151661       0.60064605 
          0.43763809       0.87533042       0.40504404 
          0.31263809       0.87533042       0.33924999 
          0.43610478       0.86759295       0.66809856 
          0.31284857       0.75467980       0.53491294 
          0.43763809       0.75033042       0.47007665 
          0.31263809       0.75033042       0.27340718 
          0.40203149       0.74804662       0.73480123 
          0.56405450       0.13165960       0.59895969 
          0.68763809       0.12533042       0.40504404 
          0.56263809       0.12533042       0.33924999 
          0.68478216       0.11849875       0.66786235 
          0.56312806       0.99907797       0.53852399 
          0.68763809       0.00033042       0.47007665 
          0.56263809       0.00033042       0.27340718 
          0.64534645       0.99995234       0.73398601 
          0.56282139       0.37754620       0.60532282 
          0.68763809       0.37533042       0.40504404 
          0.56263809       0.37533042       0.33924999 
          0.69309121       0.38287401       0.66688745 
          0.56287496       0.25598485       0.53510408 
          0.68763809       0.25033042       0.47007665 
          0.56263809       0.25033042       0.27340718 
          0.74831915       0.24928453       0.70135911 
          0.56444669       0.62602232       0.61015356 
          0.68763809       0.62533042       0.40504404 
          0.56263809       0.62533042       0.33924999 
          0.69360327       0.62768768       0.67543068 
          0.56300836       0.50321659       0.53940582 
          0.68763809       0.50033042       0.47007665 
          0.56263809       0.50033042       0.27340718 
          0.72726780       0.50074354       0.73574594 
          0.56485044       0.86913486       0.60335906 
          0.68763809       0.87533042       0.40504404 
          0.56263809       0.87533042       0.33924999 
          0.68647349       0.87500231       0.67415011 
          0.56283051       0.74580162       0.53678129 
          0.68763809       0.75033042       0.47007665 
          0.56263809       0.75033042       0.27340718 
          0.72817012       0.75345465       0.74088030 
          0.81272702       0.11878057       0.60205362 
          0.93763809       0.12533042       0.40504404 
          0.81263809       0.12533042       0.33924999 
          0.93651959       0.13070773       0.66916137 
          0.81228930       0.99827696       0.53386269 
          0.93763809       0.00033042       0.47007665 
          0.81263809       0.00033042       0.27340718 
          0.98746186       0.00149879       0.71553505 
          0.81213923       0.37561849       0.59451328 
          0.93763809       0.37533042       0.40504404 
          0.81263809       0.37533042       0.33924999 
          0.93117775       0.36945964       0.66730096 
          0.81271027       0.24568087       0.53542255 
          0.93763809       0.25033042       0.47007665 
          0.81263809       0.25033042       0.27340718 
          0.89332030       0.25017778       0.73318747 
          0.81011743       0.63017320       0.60126268 
          0.93763809       0.62533042       0.40504404 
          0.81263809       0.62533042       0.33924999 
          0.93162079       0.63294755       0.67364215 
          0.81221542       0.50500678       0.53462304 
          0.93763809       0.50033042       0.47007665 
          0.81263809       0.50033042       0.27340718 
          0.87154530       0.50015398       0.70329828 
          0.80959944       0.88066503       0.60446307 
          0.93763809       0.87533042       0.40504404 
          0.81263809       0.87533042       0.33924999 
          0.93572841       0.87300238       0.66966744 
          0.81244953       0.75553209       0.53659894 
          0.93763809       0.75033042       0.47007665 
          0.81263809       0.75033042       0.27340718 
          0.88475672       0.75627090       0.73366666 
          0.71515402       0.74465896       0.85874061 
          0.76252926       0.66324038       0.87897287 
          0.62113856       0.73788724       0.87812811 
          0.90814089       0.76439966       0.80346132 
          0.75455460       0.81605866       0.89994598 
  
 
 
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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 
   
  
  
          0.06266147       0.13050728       0.60261840 
          0.18763809       0.12533042       0.40504404 
          0.06263809       0.12533042       0.33924999 
          0.18946425       0.13280618       0.66919378 
          0.06238734       0.99979324       0.53893781 
          0.18763809       0.00033042       0.47007665 
          0.06263809       0.00033042       0.27340718 
          0.13568466       0.00324958       0.71197813 
          0.06263267       0.37502715       0.60651960 
          0.18763809       0.37533042       0.40504404 
          0.06263809       0.37533042       0.33924999 
          0.19306904       0.36684074       0.66912266 
          0.06264096       0.25401806       0.53552406 
          0.18763809       0.25033042       0.47007665 
          0.06263809       0.25033042       0.27340718 
          0.22966203       0.24945829       0.73787418 
          0.05906884       0.62551668       0.60662536 
          0.18763809       0.62533042       0.40504404 
          0.06263809       0.62533042       0.33924999 
          0.19106799       0.62363351       0.66585221 
          0.06210103       0.50023518       0.53958436 
          0.18763809       0.50033042       0.47007665 
          0.06263809       0.50033042       0.27340718 
          0.25690370       0.49649574       0.70149595 
          0.06020396       0.86828944       0.60131322 
          0.18763809       0.87533042       0.40504404 
          0.06263809       0.87533042       0.33924999 
          0.18618721       0.87488432       0.66615065 
          0.06234198       0.74543040       0.53537778 
          0.18763809       0.75033042       0.47007665 
          0.06263809       0.75033042       0.27340718 
          0.25716424       0.74962093       0.70270776 
          0.31151610       0.11942187       0.60083549 
          0.43763809       0.12533042       0.40504404 
          0.31263809       0.12533042       0.33924999 
          0.43909617       0.12497973       0.66460294 
          0.31238262       0.00078424       0.53191677 
          0.43763809       0.00033042       0.47007665 
          0.31263809       0.00033042       0.27340718 
          0.50001983       0.99645582       0.70470477 
          0.31282115       0.37443215       0.59611018 
          0.43763809       0.37533042       0.40504404 
          0.31263809       0.37533042       0.33924999 
          0.43344414       0.38380366       0.66783814 
          0.31219219       0.24609085       0.53516122 
          0.43763809       0.25033042       0.47007665 
          0.31263809       0.25033042       0.27340718 
          0.37485752       0.25306744       0.70312356 
          0.31581314       0.62632752       0.59535931 
          0.43763809       0.62533042       0.40504404 
          0.31263809       0.62533042       0.33924999 
          0.43144222       0.62449896       0.66948602 
          0.31290503       0.50018497       0.53236117 
          0.43763809       0.50033042       0.47007665 
          0.31263809       0.50033042       0.27340718 
          0.40099739       0.50228369       0.73650677 
          0.31327434       0.88151661       0.60064605 
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          0.75455460       0.81605866       0.89994598 
  
  
     T  T  T 
     F  F  F 
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      11.63   11.75
      13.87   13.99
   
        115.70992877 
      25715.16885601 
     -38281.21258252 
      -1214.39795281 
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       1530.24395325 
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       1530.24379037 
   
  
  
      13.62   13.66
      13.62   13.66
   
       -497.53388597 
       -497.57915721 
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      13.11   13.14
      13.11   13.14
   
       -666.52204295 
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       -666.43225665