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 
   
  
  
          0.06363733       0.13042847       0.60205800 
          0.18761047       0.12526433       0.40449819 
          0.06261047       0.12526433       0.33870414 
          0.19003102       0.13306415       0.66892015 
          0.06274053       0.00074176       0.53767373 
          0.18761047       0.00026433       0.46953080 
          0.06261047       0.00026433       0.27286133 
          0.13618524       0.00350480       0.71192755 
          0.06402095       0.37450561       0.60575996 
          0.18761047       0.37526433       0.40449819 
          0.06261047       0.37526433       0.33870414 
          0.19367511       0.36620203       0.66895680 
          0.06280381       0.25363603       0.53496227 
          0.18761047       0.25026433       0.46953080 
          0.06261047       0.25026433       0.27286133 
          0.22926852       0.24910219       0.73832203 
          0.06205476       0.62379165       0.60343650 
          0.18761047       0.62526433       0.40449819 
          0.06261047       0.62526433       0.33870414 
          0.19160584       0.62338596       0.66545760 
          0.06278594       0.49833428       0.53766920 
          0.18761047       0.50026433       0.46953080 
          0.06261047       0.50026433       0.27286133 
          0.25705593       0.49596317       0.70145525 
          0.06207315       0.86921557       0.59926115 
          0.18761047       0.87526433       0.40449819 
          0.06261047       0.87526433       0.33870414 
          0.18645360       0.87553366       0.66545216 
          0.06271518       0.74564178       0.53414640 
          0.18761047       0.75026433       0.46953080 
          0.06261047       0.75026433       0.27286133 
          0.25656104       0.75019979       0.70228436 
          0.31154615       0.11961759       0.60018052 
          0.43761047       0.12526433       0.40449819 
          0.31261047       0.12526433       0.33870414 
          0.43878493       0.12527563       0.66424276 
          0.31234621       0.00081304       0.53143443 
          0.43761047       0.00026433       0.46953080 
          0.31261047       0.00026433       0.27286133 
          0.50011155       0.99692347       0.70470122 
          0.31309404       0.37457857       0.59569592 
          0.43761047       0.37526433       0.40449819 
          0.31261047       0.37526433       0.33870414 
          0.43359167       0.38368279       0.66765518 
          0.31212376       0.24635800       0.53456654 
          0.43761047       0.25026433       0.46953080 
          0.31261047       0.25026433       0.27286133 
          0.37448929       0.25317530       0.70303868 
          0.31595131       0.62650782       0.59507799 
          0.43761047       0.62526433       0.40449819 
          0.31261047       0.62526433       0.33870414 
          0.43109939       0.62411914       0.66937956 
          0.31287265       0.50038050       0.53198328 
          0.43761047       0.50026433       0.46953080 
          0.31261047       0.50026433       0.27286133 
          0.40112158       0.50191585       0.73671464 
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          0.43761047       0.87526433       0.40449819 
          0.31261047       0.87526433       0.33870414 
          0.43579919       0.86813512       0.66792490 
          0.31283999       0.75473373       0.53447718 
          0.43761047       0.75026433       0.46953080 
          0.31261047       0.75026433       0.27286133 
          0.40144445       0.74814602       0.73451771 
          0.56414977       0.13190621       0.59892763 
          0.68761047       0.12526433       0.40449819 
          0.56261047       0.12526433       0.33870414 
          0.68426772       0.11786615       0.66858990 
          0.56253998       0.00039898       0.53732830 
          0.68761047       0.00026433       0.46953080 
          0.56261047       0.00026433       0.27286133 
          0.64565640       0.99910620       0.73512895 
          0.56328903       0.37721416       0.60528944 
          0.68761047       0.37526433       0.40449819 
          0.56261047       0.37526433       0.33870414 
          0.69351351       0.38284618       0.66733846 
          0.56284380       0.25595478       0.53474924 
          0.68761047       0.25026433       0.46953080 
          0.56261047       0.25026433       0.27286133 
          0.74553239       0.24898268       0.70292070 
          0.56203217       0.62463887       0.60708064 
          0.68761047       0.62526433       0.40449819 
          0.56261047       0.62526433       0.33870414 
          0.69359132       0.62274098       0.66900614 
          0.56225581       0.50149724       0.53789939 
          0.68761047       0.50026433       0.46953080 
          0.56261047       0.50026433       0.27286133 
          0.72553613       0.50100017       0.73691365 
          0.56270611       0.87033263       0.60093397 
          0.68761047       0.87526433       0.40449819 
          0.56261047       0.87526433       0.33870414 
          0.68539379       0.87724763       0.66979380 
          0.56242148       0.74601433       0.53552989 
          0.68761047       0.75026433       0.46953080 
          0.56261047       0.75026433       0.27286133 
          0.72897395       0.75217044       0.73367830 
          0.81234830       0.11937622       0.60256847 
          0.93761047       0.12526433       0.40449819 
          0.81261047       0.12526433       0.33870414 
          0.93790289       0.12754453       0.66853014 
          0.81262453       0.00031108       0.53276018 
          0.93761047       0.00026433       0.46953080 
          0.81261047       0.00026433       0.27286133 
          0.98763676       0.00027528       0.71927614 
          0.81252131       0.37429836       0.59504065 
          0.93761047       0.37526433       0.40449819 
          0.81261047       0.37526433       0.33870414 
          0.93293600       0.36908167       0.66688566 
          0.81296682       0.24523586       0.53508372 
          0.93761047       0.25026433       0.46953080 
          0.81261047       0.25026433       0.27286133 
          0.89195827       0.24869003       0.72948411 
          0.81069260       0.62907229       0.59574456 
          0.93761047       0.62526433       0.40449819 
          0.81261047       0.62526433       0.33870414 
          0.93237231       0.62979856       0.66806787 
          0.81258267       0.50126533       0.53243621 
          0.93761047       0.50026433       0.46953080 
          0.81261047       0.50026433       0.27286133 
          0.86995623       0.49844950       0.70137656 
          0.81102588       0.88179221       0.60257133 
          0.93761047       0.87526433       0.40449819 
          0.81261047       0.87526433       0.33870414 
          0.93838129       0.87367033       0.66761601 
          0.81226123       0.75658828       0.53478812 
          0.93761047       0.75026433       0.46953080 
          0.81261047       0.75026433       0.27286133 
          0.88664610       0.75671305       0.73741391 
          0.72788307       0.75166516       0.87016456 
          0.76807174       0.66424723       0.88972478 
          0.62958797       0.74583835       0.87654396 
          0.87445491       0.77834926       0.82265945 
          0.74993608       0.80980257       0.92782388 
  
 
 
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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 
   
  
  
          0.06363733       0.13042847       0.60205800 
          0.18761047       0.12526433       0.40449819 
          0.06261047       0.12526433       0.33870414 
          0.19003102       0.13306415       0.66892015 
          0.06274053       0.00074176       0.53767373 
          0.18761047       0.00026433       0.46953080 
          0.06261047       0.00026433       0.27286133 
          0.13618524       0.00350480       0.71192755 
          0.06402095       0.37450561       0.60575996 
          0.18761047       0.37526433       0.40449819 
          0.06261047       0.37526433       0.33870414 
          0.19367511       0.36620203       0.66895680 
          0.06280381       0.25363603       0.53496227 
          0.18761047       0.25026433       0.46953080 
          0.06261047       0.25026433       0.27286133 
          0.22926852       0.24910219       0.73832203 
          0.06205476       0.62379165       0.60343650 
          0.18761047       0.62526433       0.40449819 
          0.06261047       0.62526433       0.33870414 
          0.19160584       0.62338596       0.66545760 
          0.06278594       0.49833428       0.53766920 
          0.18761047       0.50026433       0.46953080 
          0.06261047       0.50026433       0.27286133 
          0.25705593       0.49596317       0.70145525 
          0.06207315       0.86921557       0.59926115 
          0.18761047       0.87526433       0.40449819 
          0.06261047       0.87526433       0.33870414 
          0.18645360       0.87553366       0.66545216 
          0.06271518       0.74564178       0.53414640 
          0.18761047       0.75026433       0.46953080 
          0.06261047       0.75026433       0.27286133 
          0.25656104       0.75019979       0.70228436 
          0.31154615       0.11961759       0.60018052 
          0.43761047       0.12526433       0.40449819 
          0.31261047       0.12526433       0.33870414 
          0.43878493       0.12527563       0.66424276 
          0.31234621       0.00081304       0.53143443 
          0.43761047       0.00026433       0.46953080 
          0.31261047       0.00026433       0.27286133 
          0.50011155       0.99692347       0.70470122 
          0.31309404       0.37457857       0.59569592 
          0.43761047       0.37526433       0.40449819 
          0.31261047       0.37526433       0.33870414 
          0.43359167       0.38368279       0.66765518 
          0.31212376       0.24635800       0.53456654 
          0.43761047       0.25026433       0.46953080 
          0.31261047       0.25026433       0.27286133 
          0.37448929       0.25317530       0.70303868 
          0.31595131       0.62650782       0.59507799 
          0.43761047       0.62526433       0.40449819 
          0.31261047       0.62526433       0.33870414 
          0.43109939       0.62411914       0.66937956 
          0.31287265       0.50038050       0.53198328 
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          0.31261047       0.75026433       0.27286133 
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          0.56261047       0.12526433       0.33870414 
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          0.68761047       0.00026433       0.46953080 
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          0.64565640       0.99910620       0.73512895 
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          0.68761047       0.37526433       0.40449819 
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          0.69351351       0.38284618       0.66733846 
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          0.68761047       0.25026433       0.46953080 
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          0.74553239       0.24898268       0.70292070 
          0.56203217       0.62463887       0.60708064 
          0.68761047       0.62526433       0.40449819 
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          0.56270611       0.87033263       0.60093397 
          0.68761047       0.87526433       0.40449819 
          0.56261047       0.87526433       0.33870414 
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          0.68761047       0.75026433       0.46953080 
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          0.93761047       0.37526433       0.40449819 
          0.81261047       0.37526433       0.33870414 
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          0.93761047       0.25026433       0.46953080 
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          0.93761047       0.62526433       0.40449819 
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          0.93237231       0.62979856       0.66806787 
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          0.81261047       0.50026433       0.27286133 
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          0.81261047       0.87526433       0.33870414 
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          0.93761047       0.75026433       0.46953080 
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          0.62958797       0.74583835       0.87654396 
          0.87445491       0.77834926       0.82265945 
          0.74993608       0.80980257       0.92782388 
  
  
     T  T  T 
     F  F  F 
     F  F  F 
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      15.54   31.73
      17.40   34.66
   
        115.70992877 
      25641.74362546 
     -38213.93799949 
      -1214.93348754 
      11376.50626006 
      -9107.00841578 
         -0.02339408 
       -416.64932553 
      13344.57217335 
       1525.97936522 
       1526.00275930 
       1525.98716324 
   
  
  
      10.87   16.62
      10.89   16.64
   
       -496.03689255 
       -496.07392062 
       -496.04923524 
   
  
  
      15.98   38.49
      15.98   38.52
   
       -664.42513060 
       -664.17185295 
       -664.34070472 
   
  
  
      14.47   32.77
      14.48   32.79
   
       -673.22837087 
       -672.97914660 
       -673.14529612 
   
  
  
       9.62   25.77
       9.86   29.15
   
       -673.46585429 
       -673.21559953 
       -673.38243604 
   
  
  
      21.59   35.23
      23.10   39.66
   
       -660.41692049 
       -660.34483042 
       -660.39289047 
   
  
  
       9.21   20.75
      11.44   26.25
   
       -657.21531227 
       -657.08335991 
       -657.17132815 
   
  
  
      10.61   24.08
      13.12   30.94
   
       -656.97566884 
       -656.95368124 
       -656.96833964 
   
  
  
       9.13   25.79
      11.18   35.61
   
       -656.71305670 
       -656.65328886 
       -656.69313409 
   
  
  
      16.10   34.57
      18.18   38.54
   
       -656.66234569 
       -656.59387204 
       -656.63952114 
   
  
  
      12.47   24.11
      14.18   30.13
   
       -656.64025571 
       -656.56495851 
       -656.61515664 
   
  
  
      15.00   25.31
      16.16   30.01
   
       -656.63385679 
       -656.55529656 
       -656.60767004 
   
  
  
      18.64   37.41
      20.87   44.21
   
       -656.63258175 
       -656.55133964 
       -656.60550105 
   
  
  
      12.12   20.20
      13.59   22.89
   
       -656.63218504 
       -656.55341069 
       -656.60592692