vasp 
  6.1.1  
  19Jun20 (build Jun 25 2020 02:42:34) complex                          parallel 
  Lin64 
  2021 06 20 
  20:38:59 
 
 
   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 
   
  
  
          0.06263280       0.13055540       0.60286621 
          0.18764500       0.12534694       0.40518051 
          0.06264500       0.12534694       0.33938646 
          0.18924921       0.13212072       0.66947768 
          0.06246113       0.00000966       0.53899431 
          0.18764500       0.00034694       0.47021312 
          0.06264500       0.00034694       0.27354365 
          0.13734712       0.00302463       0.71469116 
          0.06254947       0.37494389       0.60680752 
          0.18764500       0.37534694       0.40518051 
          0.06264500       0.37534694       0.33938646 
          0.19306860       0.36689196       0.66927581 
          0.06262900       0.25404570       0.53570758 
          0.18764500       0.25034694       0.47021312 
          0.06264500       0.25034694       0.27354365 
          0.22968136       0.24926136       0.73766317 
          0.05964006       0.62526750       0.60633843 
          0.18764500       0.62534694       0.40518051 
          0.06264500       0.62534694       0.33938646 
          0.19119426       0.62377761       0.66611616 
          0.06220532       0.49992428       0.53958410 
          0.18764500       0.50034694       0.47021312 
          0.06264500       0.50034694       0.27354365 
          0.25690375       0.49655652       0.70171291 
          0.06060293       0.86841990       0.60114898 
          0.18764500       0.87534694       0.40518051 
          0.06264500       0.87534694       0.33938646 
          0.18605070       0.87551636       0.66643862 
          0.06243546       0.74543572       0.53536709 
          0.18764500       0.75034694       0.47021312 
          0.06264500       0.75034694       0.27354365 
          0.25696298       0.75003377       0.70285424 
          0.31150414       0.11941963       0.60114364 
          0.43764500       0.12534694       0.40518051 
          0.31264500       0.12534694       0.33938646 
          0.43915941       0.12506786       0.66485696 
          0.31239328       0.00082246       0.53213486 
          0.43764500       0.00034694       0.47021312 
          0.31264500       0.00034694       0.27354365 
          0.50018444       0.99655240       0.70481607 
          0.31289322       0.37446649       0.59631495 
          0.43764500       0.37534694       0.40518051 
          0.31264500       0.37534694       0.33938646 
          0.43352635       0.38385420       0.66803762 
          0.31218378       0.24607795       0.53538964 
          0.43764500       0.25034694       0.47021312 
          0.31264500       0.25034694       0.27354365 
          0.37495031       0.25313363       0.70340418 
          0.31590866       0.62635228       0.59561116 
          0.43764500       0.62534694       0.40518051 
          0.31264500       0.62534694       0.33938646 
          0.43152577       0.62457046       0.66973680 
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          0.43764500       0.50034694       0.47021312 
          0.31264500       0.50034694       0.27354365 
          0.40100827       0.50233430       0.73667234 
          0.31326544       0.88158248       0.60093762 
          0.43764500       0.87534694       0.40518051 
          0.31264500       0.87534694       0.33938646 
          0.43616622       0.86764084       0.66831415 
          0.31283986       0.75471031       0.53514202 
          0.43764500       0.75034694       0.47021312 
          0.31264500       0.75034694       0.27354365 
          0.40187368       0.74810995       0.73498471 
          0.56413752       0.13175605       0.59918738 
          0.68764500       0.12534694       0.40518051 
          0.56264500       0.12534694       0.33938646 
          0.68504219       0.11889304       0.66799637 
          0.56307956       0.99926153       0.53862101 
          0.68764500       0.00034694       0.47021312 
          0.56264500       0.00034694       0.27354365 
          0.64561212       0.00004604       0.73391540 
          0.56303098       0.37753151       0.60560933 
          0.68764500       0.37534694       0.40518051 
          0.56264500       0.37534694       0.33938646 
          0.69334296       0.38268309       0.66725846 
          0.56287516       0.25604156       0.53528942 
          0.68764500       0.25034694       0.47021312 
          0.56264500       0.25034694       0.27354365 
          0.74925685       0.24936894       0.70180241 
          0.56423018       0.62589364       0.61000912 
          0.68764500       0.62534694       0.40518051 
          0.56264500       0.62534694       0.33938646 
          0.69401367       0.62668625       0.67443875 
          0.56294800       0.50306855       0.53949604 
          0.68764500       0.50034694       0.47021312 
          0.56264500       0.50034694       0.27354365 
          0.72733657       0.50067148       0.73611161 
          0.56458692       0.86926120       0.60322628 
          0.68764500       0.87534694       0.40518051 
          0.56264500       0.87534694       0.33938646 
          0.68663752       0.87547609       0.67345664 
          0.56281455       0.74579948       0.53683998 
          0.68764500       0.75034694       0.47021312 
          0.56264500       0.75034694       0.27354365 
          0.72861133       0.75301631       0.73864389 
          0.81282483       0.11896611       0.60206754 
          0.93764500       0.12534694       0.40518051 
          0.81264500       0.12534694       0.33938646 
          0.93618518       0.13180593       0.66938138 
          0.81237472       0.99879744       0.53373121 
          0.93764500       0.00034694       0.47021312 
          0.81264500       0.00034694       0.27354365 
          0.98907056       0.00169861       0.71285442 
          0.81239466       0.37567864       0.59485217 
          0.93764500       0.37534694       0.40518051 
          0.81264500       0.37534694       0.33938646 
          0.93126506       0.36872512       0.66786740 
          0.81274702       0.24591346       0.53555180 
          0.93764500       0.25034694       0.47021312 
          0.81264500       0.25034694       0.27354365 
          0.89416867       0.25022807       0.73508294 
          0.81024595       0.62969380       0.60035771 
          0.93764500       0.62534694       0.40518051 
          0.81264500       0.62534694       0.33938646 
          0.93163038       0.63195519       0.67246256 
          0.81229032       0.50449769       0.53439263 
          0.93764500       0.50034694       0.47021312 
          0.81264500       0.50034694       0.27354365 
          0.87172329       0.49948715       0.70350760 
          0.80973408       0.88096084       0.60392816 
          0.93764500       0.87534694       0.40518051 
          0.81264500       0.87534694       0.33938646 
          0.93574186       0.87252972       0.66908132 
          0.81238542       0.75553706       0.53650319 
          0.93764500       0.75034694       0.47021312 
          0.81264500       0.75034694       0.27354365 
          0.88562927       0.75503663       0.73259530 
          0.71155252       0.74480073       0.85449463 
          0.75836767       0.66385548       0.87601583 
          0.61720890       0.73835431       0.87320575 
          0.91260205       0.76130443       0.80179255 
          0.75105984       0.81810028       0.89329796 
  
 
 
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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 
   
  
  
          0.06263280       0.13055540       0.60286621 
          0.18764500       0.12534694       0.40518051 
          0.06264500       0.12534694       0.33938646 
          0.18924921       0.13212072       0.66947768 
          0.06246113       0.00000966       0.53899431 
          0.18764500       0.00034694       0.47021312 
          0.06264500       0.00034694       0.27354365 
          0.13734712       0.00302463       0.71469116 
          0.06254947       0.37494389       0.60680752 
          0.18764500       0.37534694       0.40518051 
          0.06264500       0.37534694       0.33938646 
          0.19306860       0.36689196       0.66927581 
          0.06262900       0.25404570       0.53570758 
          0.18764500       0.25034694       0.47021312 
          0.06264500       0.25034694       0.27354365 
          0.22968136       0.24926136       0.73766317 
          0.05964006       0.62526750       0.60633843 
          0.18764500       0.62534694       0.40518051 
          0.06264500       0.62534694       0.33938646 
          0.19119426       0.62377761       0.66611616 
          0.06220532       0.49992428       0.53958410 
          0.18764500       0.50034694       0.47021312 
          0.06264500       0.50034694       0.27354365 
          0.25690375       0.49655652       0.70171291 
          0.06060293       0.86841990       0.60114898 
          0.18764500       0.87534694       0.40518051 
          0.06264500       0.87534694       0.33938646 
          0.18605070       0.87551636       0.66643862 
          0.06243546       0.74543572       0.53536709 
          0.18764500       0.75034694       0.47021312 
          0.06264500       0.75034694       0.27354365 
          0.25696298       0.75003377       0.70285424 
          0.31150414       0.11941963       0.60114364 
          0.43764500       0.12534694       0.40518051 
          0.31264500       0.12534694       0.33938646 
          0.43915941       0.12506786       0.66485696 
          0.31239328       0.00082246       0.53213486 
          0.43764500       0.00034694       0.47021312 
          0.31264500       0.00034694       0.27354365 
          0.50018444       0.99655240       0.70481607 
          0.31289322       0.37446649       0.59631495 
          0.43764500       0.37534694       0.40518051 
          0.31264500       0.37534694       0.33938646 
          0.43352635       0.38385420       0.66803762 
          0.31218378       0.24607795       0.53538964 
          0.43764500       0.25034694       0.47021312 
          0.31264500       0.25034694       0.27354365 
          0.37495031       0.25313363       0.70340418 
          0.31590866       0.62635228       0.59561116 
          0.43764500       0.62534694       0.40518051 
          0.31264500       0.62534694       0.33938646 
          0.43152577       0.62457046       0.66973680 
          0.31292424       0.50024047       0.53255737 
          0.43764500       0.50034694       0.47021312 
          0.31264500       0.50034694       0.27354365 
          0.40100827       0.50233430       0.73667234 
          0.31326544       0.88158248       0.60093762 
          0.43764500       0.87534694       0.40518051 
          0.31264500       0.87534694       0.33938646 
          0.43616622       0.86764084       0.66831415 
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