vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 09 18 
  00:44:08 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.77000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            9.74432000       0.00000000       0.00000000 
            0.00000000       9.74432000       0.00000000 
            0.00000000       0.00000000      23.42768000 
    
       2224.49973600 
    
            0.10262389       0.00000000       0.00000000 
            0.00000000       0.10262389       0.00000000 
            0.00000000       0.00000000       0.04268455 
    
   
   
           0.12773742       0.12859278       0.38605665 
           0.37340657       0.12249133       0.30719239 
           0.81672215       0.26320534       0.38272869 
           0.10011663       0.39603625       0.14971714 
           0.09311247       0.38049035       0.46260804 
           0.35115589       0.36937825       0.22867033 
           0.13874415       0.12289593       0.03688445 
           0.12854273       0.62971724       0.38201478 
           0.37929941       0.62278723       0.30670290 
           0.43750824       0.82280849       0.67387360 
           0.11320329       0.89455093       0.14662415 
           0.08797458       0.87452246       0.46360478 
           0.35930732       0.87028198       0.22853567 
           0.85678946       0.44425750       0.90014653 
           0.62448271       0.17172819       0.38677058 
           0.86915355       0.09744111       0.30824202 
           0.77354611       0.99094086       0.79010931 
           0.59635321       0.36753856       0.14857920 
           0.59970627       0.42321798       0.46102640 
           0.84658892       0.34608654       0.22952803 
           0.63398088       0.67663530       0.38922453 
           0.63186141       0.67735402       0.38518658 
           0.87555100       0.60315789       0.30511608 
           0.49818254       0.15910365       0.34993535 
           0.60365980       0.86806417       0.14764159 
           0.58972646       0.92341019       0.46326687 
           0.85668651       0.84883816       0.22647642 
           0.17489899       0.45061400       0.04360469 
           0.21335806       0.35634920       0.89614704 
           0.22229186       0.41359747       0.91070112 
           0.51558285       0.33284926       0.07241519 
           0.07115925       0.01574959       0.10339428 
           0.08107382       0.02926831       0.43853058 
           0.30104544       0.24128955       0.26845662 
           0.37791363       0.15448108       0.81056868 
           0.15398914       0.26920883       0.10764347 
           0.15575888       0.27710244       0.41503162 
           0.41774546       0.49010896       0.26793404 
           0.59715402       0.89402297       0.80743706 
           0.46475721       0.30945567       0.18413395 
           0.44801643       0.37546628       0.48070324 
           0.22229047       0.43603960       0.19444895 
           0.91334213       0.13071765       0.13290729 
           0.26691501       0.07079004       0.35634237 
           0.53696020       0.32880756       0.70849663 
           0.01358856       0.14523100       0.33617443 
           0.63284476       0.62544701       0.88899394 
           0.05036363       0.52086817       0.10975749 
           0.07047504       0.52762412       0.43131508 
           0.30789832       0.74268874       0.26828016 
           0.82874046       0.16532988       0.07385994 
           0.16537731       0.76315014       0.10670201 
           0.14362030       0.77882243       0.41217315 
           0.42132985       0.99278027       0.26834772 
           0.31325415       0.43473851       0.69241790 
           0.47617493       0.80993555       0.18564155 
           0.43941614       0.87077398       0.48368595 
           0.23309613       0.93551531       0.19221961 
           0.01649218       0.71912375       0.09495711 
           0.27665884       0.57790278       0.35846985 
           0.02830519       0.64284057       0.32703377 
           0.25097262       0.51824525       0.36590881 
           0.55754840       0.98834827       0.10456297 
           0.57512572       0.08079549       0.44154951 
           0.81701377       0.19545144       0.25653851 
           0.93605042       0.78280386       0.68542744 
           0.65007537       0.23736120       0.10832609 
           0.65839257       0.32522827       0.41026077 
           0.87866059       0.44542542       0.28360779 
           0.18084109       0.99358332       0.83089148 
           0.97469970       0.32985905       0.18594457 
           0.94603912       0.32703248       0.48717494 
           0.71584866       0.40584872       0.19459867 
           0.86797508       0.90123469       0.58977062 
           0.75838559       0.09804090       0.35987840 
           0.05882804       0.25023373       0.86346235 
           0.50784157       0.18649618       0.33797214 
           0.37918891       0.96844075       0.10026681 
           0.55378081       0.48954132       0.10577026 
           0.58744963       0.57956593       0.43811941 
           0.82573848       0.69623008       0.25147956 
           0.32839264       0.72745961       0.80180826 
           0.65419126       0.73640888       0.10756224 
           0.64802429       0.83126386       0.41098195 
           0.88914897       0.94515316       0.28162422 
           0.73758235       0.00777898       0.46076996 
           0.98468745       0.83516118       0.18291719 
           0.93623511       0.82914061       0.48605872 
           0.72635556       0.91007801       0.19168435 
           0.19205156       0.60805342       0.88212148 
           0.77580130       0.62256600       0.35982805 
           0.51976690       0.68198661       0.33426750 
           0.66759303       0.72254583       0.85313561 
           0.17145722       0.07520799       0.99332434 
           0.45051845       0.81305701       0.86167426 
           0.91342970       0.72418429       0.04047316 
           0.57823912       0.80397696       0.40586374 
           0.22280858       0.95122975       0.96448452 
           0.69200157       0.76996671       0.90156149 
           0.36624936       0.50315837       0.54441773 
           0.68814411       0.28614116       0.77916121 
           0.10273752       0.11260624       0.10750276 
           0.19931056       0.29836172       0.07278217 
           0.09552572       0.61264540       0.10979772 
           0.20962451       0.78867187       0.07110082 
           0.59194225       0.08447702       0.10828007 
           0.68868571       0.26461003       0.07182304 
           0.59221256       0.58417932       0.10855208 
           0.69417442       0.76234409       0.07114635 
           0.41763638       0.53612867       0.20601915 
           0.98954936       0.54592168       0.63187376 
           0.55898972       0.22139986       0.45362374 
           0.59372481       0.15103896       0.78951510 
           0.33157649       0.78850391       0.60940220 
           0.11460072       0.87024421       0.86164534 
           0.16757029       0.46756758       0.21289106 
           0.72287225       0.95262613       0.27128705 
           0.56600532       0.24807962       0.45907465 
           0.43980251       0.39121399       0.59709729 
           0.45446315       0.16094612       0.25633043 
           0.99585210       0.41586877       0.91781682 
           0.28946708       0.54229832       0.10501561 
           0.39715458       0.75401611       0.49015712 
   
  
  
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         123 
  
 
 
  
          2        2        1 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.50000000       0.50000000       0.00000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      344
       -1
       -1
       560.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -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
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       200
        -5
         2
        400.00000000
    
      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
   
  
  
       48
       48
      120
       96
       96
      240
    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      0.73000000      0.77000000      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     16.00000000     12.01100000      1.00000000
         0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      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
        10.85121822
         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
      200
        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  
  
 
 
       123 
         4 
  
   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
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    C    3
    C    3
    C    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      31Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      67O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       3C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      22H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           9.74432000       0.00000000       0.00000000 
           0.00000000       9.74432000       0.00000000 
           0.00000000       0.00000000      23.42768000 
   
      2224.49973600 
   
           0.10262389       0.00000000       0.00000000 
           0.00000000       0.10262389       0.00000000 
           0.00000000       0.00000000       0.04268455 
   
  
  
          0.12773742       0.12859278       0.38605665 
          0.37340657       0.12249133       0.30719239 
          0.81672215       0.26320534       0.38272869 
          0.10011663       0.39603625       0.14971714 
          0.09311247       0.38049035       0.46260804 
          0.35115589       0.36937825       0.22867033 
          0.13874415       0.12289593       0.03688445 
          0.12854273       0.62971724       0.38201478 
          0.37929941       0.62278723       0.30670290 
          0.43750824       0.82280849       0.67387360 
          0.11320329       0.89455093       0.14662415 
          0.08797458       0.87452246       0.46360478 
          0.35930732       0.87028198       0.22853567 
          0.85678946       0.44425750       0.90014653 
          0.62448271       0.17172819       0.38677058 
          0.86915355       0.09744111       0.30824202 
          0.77354611       0.99094086       0.79010931 
          0.59635321       0.36753856       0.14857920 
          0.59970627       0.42321798       0.46102640 
          0.84658892       0.34608654       0.22952803 
          0.63398088       0.67663530       0.38922453 
          0.63186141       0.67735402       0.38518658 
          0.87555100       0.60315789       0.30511608 
          0.49818254       0.15910365       0.34993535 
          0.60365980       0.86806417       0.14764159 
          0.58972646       0.92341019       0.46326687 
          0.85668651       0.84883816       0.22647642 
          0.17489899       0.45061400       0.04360469 
          0.21335806       0.35634920       0.89614704 
          0.22229186       0.41359747       0.91070112 
          0.51558285       0.33284926       0.07241519 
          0.07115925       0.01574959       0.10339428 
          0.08107382       0.02926831       0.43853058 
          0.30104544       0.24128955       0.26845662 
          0.37791363       0.15448108       0.81056868 
          0.15398914       0.26920883       0.10764347 
          0.15575888       0.27710244       0.41503162 
          0.41774546       0.49010896       0.26793404 
          0.59715402       0.89402297       0.80743706 
          0.46475721       0.30945567       0.18413395 
          0.44801643       0.37546628       0.48070324 
          0.22229047       0.43603960       0.19444895 
          0.91334213       0.13071765       0.13290729 
          0.26691501       0.07079004       0.35634237 
          0.53696020       0.32880756       0.70849663 
          0.01358856       0.14523100       0.33617443 
          0.63284476       0.62544701       0.88899394 
          0.05036363       0.52086817       0.10975749 
          0.07047504       0.52762412       0.43131508 
          0.30789832       0.74268874       0.26828016 
          0.82874046       0.16532988       0.07385994 
          0.16537731       0.76315014       0.10670201 
          0.14362030       0.77882243       0.41217315 
          0.42132985       0.99278027       0.26834772 
          0.31325415       0.43473851       0.69241790 
          0.47617493       0.80993555       0.18564155 
          0.43941614       0.87077398       0.48368595 
          0.23309613       0.93551531       0.19221961 
          0.01649218       0.71912375       0.09495711 
          0.27665884       0.57790278       0.35846985 
          0.02830519       0.64284057       0.32703377 
          0.25097262       0.51824525       0.36590881 
          0.55754840       0.98834827       0.10456297 
          0.57512572       0.08079549       0.44154951 
          0.81701377       0.19545144       0.25653851 
          0.93605042       0.78280386       0.68542744 
          0.65007537       0.23736120       0.10832609 
          0.65839257       0.32522827       0.41026077 
          0.87866059       0.44542542       0.28360779 
          0.18084109       0.99358332       0.83089148 
          0.97469970       0.32985905       0.18594457 
          0.94603912       0.32703248       0.48717494 
          0.71584866       0.40584872       0.19459867 
          0.86797508       0.90123469       0.58977062 
          0.75838559       0.09804090       0.35987840 
          0.05882804       0.25023373       0.86346235 
          0.50784157       0.18649618       0.33797214 
          0.37918891       0.96844075       0.10026681 
          0.55378081       0.48954132       0.10577026 
          0.58744963       0.57956593       0.43811941 
          0.82573848       0.69623008       0.25147956 
          0.32839264       0.72745961       0.80180826 
          0.65419126       0.73640888       0.10756224 
          0.64802429       0.83126386       0.41098195 
          0.88914897       0.94515316       0.28162422 
          0.73758235       0.00777898       0.46076996 
          0.98468745       0.83516118       0.18291719 
          0.93623511       0.82914061       0.48605872 
          0.72635556       0.91007801       0.19168435 
          0.19205156       0.60805342       0.88212148 
          0.77580130       0.62256600       0.35982805 
          0.51976690       0.68198661       0.33426750 
          0.66759303       0.72254583       0.85313561 
          0.17145722       0.07520799       0.99332434 
          0.45051845       0.81305701       0.86167426 
          0.91342970       0.72418429       0.04047316 
          0.57823912       0.80397696       0.40586374 
          0.22280858       0.95122975       0.96448452 
          0.69200157       0.76996671       0.90156149 
          0.36624936       0.50315837       0.54441773 
          0.68814411       0.28614116       0.77916121 
          0.10273752       0.11260624       0.10750276 
          0.19931056       0.29836172       0.07278217 
          0.09552572       0.61264540       0.10979772 
          0.20962451       0.78867187       0.07110082 
          0.59194225       0.08447702       0.10828007 
          0.68868571       0.26461003       0.07182304 
          0.59221256       0.58417932       0.10855208 
          0.69417442       0.76234409       0.07114635 
          0.41763638       0.53612867       0.20601915 
          0.98954936       0.54592168       0.63187376 
          0.55898972       0.22139986       0.45362374 
          0.59372481       0.15103896       0.78951510 
          0.33157649       0.78850391       0.60940220 
          0.11460072       0.87024421       0.86164534 
          0.16757029       0.46756758       0.21289106 
          0.72287225       0.95262613       0.27128705 
          0.56600532       0.24807962       0.45907465 
          0.43980251       0.39121399       0.59709729 
          0.45446315       0.16094612       0.25633043 
          0.99585210       0.41586877       0.91781682 
          0.28946708       0.54229832       0.10501561 
          0.39715458       0.75401611       0.49015712 
  
  
     F  F  F 
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
       3.28    3.29
       3.50    3.51
   
        485.29640442 
      34978.80586705 
     -61377.64515583 
       1667.21739818 
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