vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2023 09 08 
  01:13:15 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     180
       2
      -1
        0.00010000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      1.22000000      0.73000000      1.18000000      0.77000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
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       7848.63264950 
    
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          2        1        1 
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          0.50000000 
          0.50000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00010000
       38
       10
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       -1
       -1
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        0
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         1
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     T  
     T  
   
   
     T  
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      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     F  
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         -1.00000000
     F  
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     F  
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     F  
   
   
     F  
     F  
   
   
       180
        -5
         2
        400.00000000
    
      T  
      F  
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          4
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          0.40000000
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          4
      F  
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          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       64
       96
      160
      128
      192
      320
    F  
  
  
        0
       -1
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        2
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        0
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        -3.00000000
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         0.00010000
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        1
      256
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        2
         0.00001000
  
  
        0
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      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
  
  
        2
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
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    T  
  
   T  
   F  
       0
   F  
       0
  
   --
        1
    F  
   
    F  
    F  
    F  
    F  
    F  
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        0
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        1
        1
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    F  
    F  
    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
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        0
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    F  
    F  
    F  
    F  
        0
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        -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
      180
        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
         0.80000001
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
       223 
         6 
  
   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
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      28Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      36Ge     72.61000000     14.00000000  PAW_PBE Ge_d 03Jul2007                
      37O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      24Al     26.98100000      3.00000000  PAW_PBE Al 04Jan2001                  
      24C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      74H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          12.47140000       0.00000000       0.00000000 
          -3.04885115      19.22970392       0.00000000 
           0.00000000       0.00000000      32.72700000 
   
      7848.63264950 
   
           0.08018346       0.01271301       0.00000000 
           0.00000000       0.05200288       0.00000000 
           0.00000000       0.00000000       0.03055581 
   
  
  
          0.35282294       0.01342142       0.32925451 
          0.04032294       0.95092142       0.32925451 
          0.91532294       0.82592142       0.24570759 
          0.19657294       0.98217142       0.28748105 
          0.66532294       0.57592142       0.24570759 
          0.97782294       0.63842142       0.24570759 
          0.94657294       0.73217142       0.28748105 
          0.82157294       0.60717142       0.20393413 
          0.72782294       0.38842142       0.24570759 
          0.69657294       0.48217142       0.28748105 
          0.29032294       0.20092142       0.32925451 
          0.16532294       0.07592142       0.24570759 
          0.47782294       0.13842142       0.24570759 
          0.32157294       0.10717142       0.20393413 
          0.85282294       0.01342142       0.24570759 
          0.38407294       0.91967142       0.20393413 
          0.60282294       0.76342142       0.24570759 
          0.00907294       0.54467142       0.28748105 
          0.32157294       0.60717142       0.28748105 
          0.10282294       0.26342142       0.24570759 
          0.07157294       0.35717142       0.28748105 
          0.94657294       0.23217142       0.20393413 
          0.00907294       0.04467142       0.20393413 
          0.88407294       0.91967142       0.28748105 
          0.63407294       0.66967142       0.28748105 
          0.38407294       0.41967142       0.28748105 
          0.25907294       0.29467142       0.20393413 
          0.13407294       0.16967142       0.28748105 
          0.22782294       0.88842142       0.24570759 
          0.10282294       0.76342142       0.32925451 
          0.07157294       0.85717142       0.20393413 
          0.79032294       0.70092142       0.32925451 
          0.85282294       0.51342142       0.32925451 
          0.54032294       0.45092142       0.32925451 
          0.41532294       0.32592142       0.24570759 
          0.60282294       0.26342142       0.32925451 
          0.57157294       0.35717142       0.20393413 
          0.44657294       0.23217142       0.28748105 
          0.54032294       0.95092142       0.24570759 
          0.50907294       0.04467142       0.28748105 
          0.72782294       0.88842142       0.32925451 
          0.69657294       0.98217142       0.20393413 
          0.41532294       0.82592142       0.32925451 
          0.29032294       0.70092142       0.24570759 
          0.25907294       0.79467142       0.28748105 
          0.57157294       0.85717142       0.28748105 
          0.47782294       0.63842142       0.32925451 
          0.44657294       0.73217142       0.20393413 
          0.16532294       0.57592142       0.32925451 
          0.13407294       0.66967142       0.20393413 
          0.04032294       0.45092142       0.24570759 
          0.35282294       0.51342142       0.24570759 
          0.22782294       0.38842142       0.32925451 
          0.19657294       0.48217142       0.20393413 
          0.91532294       0.32592142       0.32925451 
          0.88407294       0.41967142       0.20393413 
          0.79032294       0.20092142       0.24570759 
          0.75907294       0.29467142       0.28748105 
          0.97782294       0.13842142       0.32925451 
          0.66532294       0.07592142       0.32925451 
          0.63407294       0.16967142       0.20393413 
          0.82157294       0.10717142       0.28748105 
          0.75907294       0.79467142       0.20393413 
          0.50907294       0.54467142       0.20393413 
          0.17694307       0.70760155       0.47363136 
          0.11127824       0.91762980       0.27253196 
          0.95171517       0.55059845       0.45076175 
          0.02024759       0.84065520       0.23175481 
          0.03743678       0.63367097       0.14574572 
          0.02433035       0.38778401       0.64648143 
          0.19061722       0.33624889       0.95170245 
          0.15301621       0.97784283       0.53406292 
          0.51983829       0.19802356       0.16558896 
          0.49443724       0.48289847       0.12555615 
          0.85472106       0.94724221       0.63603929 
          0.51488744       0.69457768       0.20753351 
          0.84910489       0.61575980       0.92786719 
          0.48917322       0.84282329       0.07056741 
          0.21228484       0.85570949       0.46091651 
          0.80902265       0.08440106       0.64966276 
          0.41318533       0.68232614       0.48390261 
          0.92422521       0.03753915       0.63437588 
          0.11382070       0.57245313       0.01371977 
          0.57883638       0.20991179       0.61255489 
          0.63600165       0.56138718       0.81705762 
          0.88059913       0.07024233       0.80138821 
          0.96710079       0.04885168       0.56255042 
          0.73473987       0.25603505       0.03171980 
          0.05998322       0.01108041       0.24412546 
          0.53289253       0.38996477       0.99075215 
          0.26390142       0.77249459       0.99829884 
          0.21381331       0.18062711       0.13471808 
          0.88966071       0.46568300       0.16721321 
          0.92287072       0.09227473       0.85834802 
          0.66828004       0.75552109       0.21408321 
          0.49101739       0.57121302       0.38722588 
          0.51699744       0.60771339       0.57981418 
          0.57255250       0.99777346       0.69692154 
          0.64072322       0.32041593       0.44313051 
          0.10862588       0.87491930       0.83276145 
          0.70880894       0.09557842       0.41289838 
          0.62209428       0.99692383       0.40098651 
          0.20981447       0.65280670       0.51666567 
          0.76028079       0.38308375       0.46803309 
          0.14746585       0.16691665       0.26979037 
          0.78062309       0.67071041       0.06076184 
          0.56785528       0.54279212       0.83083676 
          0.59225390       0.70315350       0.16848262 
          0.52665861       0.46323895       0.04459805 
          0.21265695       0.67994359       0.94121874 
          0.96877389       0.86819800       0.55714659 
          0.84581075       0.21853858       0.31540234 
          0.57241750       0.47993620       0.93879996 
          0.73742965       0.54320681       0.22083010 
          0.56400270       0.53484461       0.72445395 
          0.40044342       0.80957713       0.18180603 
          0.54173124       0.60820340       0.11160705 
          0.91881389       0.01259821       0.81497881 
          0.25733637       0.84445204       0.46778155 
          0.58077125       0.83837262       0.38970072 
          0.60315949       0.65986622       0.20109590 
          0.41175389       0.68146107       0.33656370 
          0.98695764       0.52183238       0.85399363 
          0.59252774       0.97180932       0.34170688 
          0.14735195       0.09418654       0.95141655 
          0.91747618       0.97558061       0.92391431 
          0.00837288       0.18173925       0.21133485 
          0.65560071       0.95354018       0.48753573 
          0.58978581       0.67196548       0.39299069 
          0.31086027       0.35561883       0.24227953 
          0.23246882       0.10163139       0.64013515 
          0.90131556       0.43573887       0.30333501 
          0.31885344       0.52059141       0.12557075 
          0.04363268       0.40627209       0.54290682 
          0.19775880       0.49045929       0.62006902 
          0.82962056       0.11559576       0.65043818 
          0.67695369       0.28900920       0.54772714 
          0.32652726       0.97374030       0.23157928 
          0.89763570       0.11765501       0.36470622 
          0.90081183       0.09709823       0.66691735 
          0.15772145       0.43475332       0.30774963 
          0.23731965       0.53367647       0.36208918 
          0.03263061       0.55254838       0.37624199 
          0.89110358       0.15426623       0.82753201 
          0.77149975       0.94502832       0.30655908 
          0.59301918       0.52758359       0.64994226 
          0.17130704       0.85911581       0.44400734 
          0.46658013       0.89290169       0.11453273 
          0.38541764       0.07319648       0.38521787 
          0.15834463       0.82934551       0.27826679 
          0.17665681       0.84806827       0.87902398 
          0.71122854       0.52944438       0.53848212 
          0.20463019       0.50975134       0.92855473 
          0.65013577       0.29876129       0.08656929 
          0.14952501       0.03760408       0.17238002 
          0.08357199       0.82388549       0.99793438 
          0.61734683       0.73606869       0.76420748 
          0.27802658       0.89702858       0.31340055 
          0.93037541       0.64091407       0.42694851 
          0.48585591       0.79848278       0.02379657 
          0.61473039       0.02653525       0.86223172 
          0.30838852       0.42189456       0.00877572 
          0.19891804       0.77744136       0.27396547 
          0.69211704       0.18914955       0.19352802 
          0.38490258       0.42665435       0.28740280 
          0.60188299       0.65094173       0.61409684 
          0.65438270       0.23579734       0.49309617 
          0.37812006       0.07154905       0.62828414 
          0.64312533       0.13594308       0.52238278 
          0.66801090       0.14572247       0.52239528 
          0.71906096       0.34500632       0.10519709 
          0.26093602       0.84423678       0.95433510 
          0.90876096       0.59134753       0.96833610 
          0.99903637       0.14781777       0.55758203 
          0.64990788       0.91654611       0.31808312 
          0.83019118       0.78459373       0.42969219 
          0.57364931       0.79796788       0.78425391 
          0.31360465       0.15587151       0.31819297 
          0.46351552       0.85478101       0.90656641 
          0.39700384       0.48726046       0.05157191 
          0.58910700       0.68284468       0.09732365 
          0.79510392       0.72131971       0.07063128 
          0.90299390       0.12327220       0.61104387 
          0.76617298       0.62028717       0.38916251 
          0.34037026       0.42946862       0.50378316 
          0.53584707       0.78923515       0.78364712 
          0.90824943       0.83328647       0.59208079 
          0.83556931       0.27409954       0.16802731 
          0.33244491       0.94891728       0.10228692 
          0.41289134       0.56784033       0.74317724 
          0.15049346       0.42843293       0.97935548 
          0.19638047       0.22855548       0.63636224 
          0.31644859       0.99613520       0.21754912 
          0.74447529       0.60536975       0.89867838 
          0.99803604       0.61464001       0.38367171 
          0.93619082       0.44846308       0.74446376 
          0.02243000       0.09565213       0.01529783 
          0.79252960       0.19630123       0.41159283 
          0.42580440       0.18148808       0.56017821 
          0.42210105       0.42365839       0.48920206 
          0.38718410       0.89058003       0.36032231 
          0.73002434       0.29431746       0.81984957 
          0.84991498       0.25281873       0.98009700 
          0.00860780       0.62849459       0.58562600 
          0.80067977       0.75122256       0.01567897 
          0.34514300       0.81933362       0.66241796 
          0.70949842       0.26254978       0.04458101 
          0.42671913       0.09257211       0.70094879 
          0.68444963       0.92932509       0.84940254 
          0.12635008       0.43671431       0.60271471 
          0.50476371       0.50283192       0.86177501 
          0.65951229       0.51931028       0.36067718 
          0.10190763       0.25780809       0.37457505 
          0.11635007       0.86415625       0.88153275 
          0.07154733       0.94621696       0.36597086 
          0.47435006       0.04564667       0.43492855 
          0.77747405       0.97385040       0.24632551 
          0.64058067       0.53857931       0.72978209 
          0.10233574       0.05456504       0.80172925 
          0.65564908       0.44690762       0.95373396 
          0.28186545       0.80180353       0.79793878 
          0.58670113       0.45434810       0.60537652 
          0.86954874       0.21795471       0.82867128 
  
  
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