vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 09 18 
  01:58:43 
 
 
  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 
           0.70617784       0.06007210       0.70490867 
           0.10011663       0.39603625       0.14971714 
           0.09311247       0.38049035       0.46260804 
           0.35115589       0.36937825       0.22867033 
           0.54881595       0.83748467       0.88237549 
           0.12854273       0.62971724       0.38201478 
           0.37929941       0.62278723       0.30670290 
           0.05756516       0.85964025       0.21110234 
           0.11320329       0.89455093       0.14662415 
           0.08797458       0.87452246       0.46360478 
           0.35930732       0.87028198       0.22853567 
           0.13398038       0.06051485       0.82828884 
           0.62448271       0.17172819       0.38677058 
           0.86915355       0.09744111       0.30824202 
           0.37028579       0.18120415       0.53710524 
           0.59635321       0.36753856       0.14857920 
           0.59970627       0.42321798       0.46102640 
           0.84658892       0.34608654       0.22952803 
           0.81902741       0.64900002       0.58183772 
           0.63186141       0.67735402       0.38518658 
           0.87555100       0.60315789       0.30511608 
           0.38854294       0.11993598       0.30160426 
           0.60365980       0.86806417       0.14764159 
           0.58972646       0.92341019       0.46326687 
           0.85668651       0.84883816       0.22647642 
           0.27132995       0.67031435       0.28025207 
           0.94183847       0.42591796       0.50225671 
           0.94528074       0.39228548       0.01764946 
           0.24204305       0.91606938       0.53942203 
           0.07115925       0.01574959       0.10339428 
           0.08107382       0.02926831       0.43853058 
           0.30104544       0.24128955       0.26845662 
           0.52190155       0.38492703       0.41917926 
           0.15398914       0.26920883       0.10764347 
           0.15575888       0.27710244       0.41503162 
           0.41774546       0.49010896       0.26793404 
           0.39614425       0.22935855       0.31828108 
           0.46475721       0.30945567       0.18413395 
           0.44801643       0.37546628       0.48070324 
           0.22229047       0.43603960       0.19444895 
           0.22973964       0.20841837       0.19617093 
           0.26691501       0.07079004       0.35634237 
           0.51664332       0.42994836       0.61953128 
           0.01358856       0.14523100       0.33617443 
           0.10234006       0.92881190       0.49149863 
           0.05036363       0.52086817       0.10975749 
           0.07047504       0.52762412       0.43131508 
           0.30789832       0.74268874       0.26828016 
           0.60628953       0.10432669       0.00355411 
           0.16537731       0.76315014       0.10670201 
           0.14362030       0.77882243       0.41217315 
           0.42132985       0.99278027       0.26834772 
           0.53579517       0.88391457       0.51612715 
           0.47617493       0.80993555       0.18564155 
           0.43941614       0.87077398       0.48368595 
           0.23309613       0.93551531       0.19221961 
           0.37034564       0.45438674       0.26243267 
           0.27665884       0.57790278       0.35846985 
           0.02830519       0.64284057       0.32703377 
           0.65155212       0.32889145       0.87739780 
           0.55754840       0.98834827       0.10456297 
           0.57512572       0.08079549       0.44154951 
           0.81701377       0.19545144       0.25653851 
           0.78310282       0.28993367       0.49425072 
           0.65007537       0.23736120       0.10832609 
           0.65839257       0.32522827       0.41026077 
           0.87866059       0.44542542       0.28360779 
           0.75868721       0.76382343       0.45975056 
           0.97469970       0.32985905       0.18594457 
           0.94603912       0.32703248       0.48717494 
           0.71584866       0.40584872       0.19459867 
           0.64661907       0.20359753       0.49220853 
           0.75838559       0.09804090       0.35987840 
           0.55007650       0.00397323       0.55336236 
           0.50784157       0.18649618       0.33797214 
           0.57053574       0.73781968       0.44837664 
           0.55378081       0.48954132       0.10577026 
           0.58744963       0.57956593       0.43811941 
           0.82573848       0.69623008       0.25147956 
           0.70918999       0.82851559       0.37446282 
           0.65419126       0.73640888       0.10756224 
           0.64802429       0.83126386       0.41098195 
           0.88914897       0.94515316       0.28162422 
           0.94349605       0.98460819       0.68502223 
           0.98468745       0.83516118       0.18291719 
           0.93623511       0.82914061       0.48605872 
           0.72635556       0.91007801       0.19168435 
           0.48089894       0.01735453       0.31509972 
           0.77580130       0.62256600       0.35982805 
           0.51976690       0.68198661       0.33426750 
           0.10791885       0.68136784       0.00290113 
           0.13208102       0.15237065       0.64771180 
           0.52300372       0.47657477       0.56049616 
           0.82681246       0.55323847       0.02046971 
           0.19601143       0.90221492       0.93662654 
           0.06191422       0.11985960       0.69906414 
           0.26874668       0.85580431       0.24792006 
           0.97928850       0.62904621       0.52901935 
           0.92014662       0.17438150       0.58260146 
           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 
           0.10040697       0.62427275       0.85680809 
           0.73460021       0.66572723       0.58326734 
           0.40485757       0.85509303       0.19640537 
           0.50035722       0.13172074       0.58266995 
           0.02912608       0.53869697       0.02650870 
           0.73458107       0.62746225       0.43172444 
           0.13951069       0.18029632       0.92771011 
           0.15519329       0.60865391       0.68529279 
           0.19063724       0.76019117       0.99807854 
           0.90192886       0.61110183       0.66540713 
           0.73834281       0.70374029       0.43198282 
           0.95028123       0.05420312       0.16384869 
           0.78382401       0.08384307       0.12173230 
           0.10716966       0.38922226       0.89591862 
   
  
  
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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 
          0.70617784       0.06007210       0.70490867 
          0.10011663       0.39603625       0.14971714 
          0.09311247       0.38049035       0.46260804 
          0.35115589       0.36937825       0.22867033 
          0.54881595       0.83748467       0.88237549 
          0.12854273       0.62971724       0.38201478 
          0.37929941       0.62278723       0.30670290 
          0.05756516       0.85964025       0.21110234 
          0.11320329       0.89455093       0.14662415 
          0.08797458       0.87452246       0.46360478 
          0.35930732       0.87028198       0.22853567 
          0.13398038       0.06051485       0.82828884 
          0.62448271       0.17172819       0.38677058 
          0.86915355       0.09744111       0.30824202 
          0.37028579       0.18120415       0.53710524 
          0.59635321       0.36753856       0.14857920 
          0.59970627       0.42321798       0.46102640 
          0.84658892       0.34608654       0.22952803 
          0.81902741       0.64900002       0.58183772 
          0.63186141       0.67735402       0.38518658 
          0.87555100       0.60315789       0.30511608 
          0.38854294       0.11993598       0.30160426 
          0.60365980       0.86806417       0.14764159 
          0.58972646       0.92341019       0.46326687 
          0.85668651       0.84883816       0.22647642 
          0.27132995       0.67031435       0.28025207 
          0.94183847       0.42591796       0.50225671 
          0.94528074       0.39228548       0.01764946 
          0.24204305       0.91606938       0.53942203 
          0.07115925       0.01574959       0.10339428 
          0.08107382       0.02926831       0.43853058 
          0.30104544       0.24128955       0.26845662 
          0.52190155       0.38492703       0.41917926 
          0.15398914       0.26920883       0.10764347 
          0.15575888       0.27710244       0.41503162 
          0.41774546       0.49010896       0.26793404 
          0.39614425       0.22935855       0.31828108 
          0.46475721       0.30945567       0.18413395 
          0.44801643       0.37546628       0.48070324 
          0.22229047       0.43603960       0.19444895 
          0.22973964       0.20841837       0.19617093 
          0.26691501       0.07079004       0.35634237 
          0.51664332       0.42994836       0.61953128 
          0.01358856       0.14523100       0.33617443 
          0.10234006       0.92881190       0.49149863 
          0.05036363       0.52086817       0.10975749 
          0.07047504       0.52762412       0.43131508 
          0.30789832       0.74268874       0.26828016 
          0.60628953       0.10432669       0.00355411 
          0.16537731       0.76315014       0.10670201 
          0.14362030       0.77882243       0.41217315 
          0.42132985       0.99278027       0.26834772 
          0.53579517       0.88391457       0.51612715 
          0.47617493       0.80993555       0.18564155 
          0.43941614       0.87077398       0.48368595 
          0.23309613       0.93551531       0.19221961 
          0.37034564       0.45438674       0.26243267 
          0.27665884       0.57790278       0.35846985 
          0.02830519       0.64284057       0.32703377 
          0.65155212       0.32889145       0.87739780 
          0.55754840       0.98834827       0.10456297 
          0.57512572       0.08079549       0.44154951 
          0.81701377       0.19545144       0.25653851 
          0.78310282       0.28993367       0.49425072 
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          0.87866059       0.44542542       0.28360779 
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          0.97469970       0.32985905       0.18594457 
          0.94603912       0.32703248       0.48717494 
          0.71584866       0.40584872       0.19459867 
          0.64661907       0.20359753       0.49220853 
          0.75838559       0.09804090       0.35987840 
          0.55007650       0.00397323       0.55336236 
          0.50784157       0.18649618       0.33797214 
          0.57053574       0.73781968       0.44837664 
          0.55378081       0.48954132       0.10577026 
          0.58744963       0.57956593       0.43811941 
          0.82573848       0.69623008       0.25147956 
          0.70918999       0.82851559       0.37446282 
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          0.64802429       0.83126386       0.41098195 
          0.88914897       0.94515316       0.28162422 
          0.94349605       0.98460819       0.68502223 
          0.98468745       0.83516118       0.18291719 
          0.93623511       0.82914061       0.48605872 
          0.72635556       0.91007801       0.19168435 
          0.48089894       0.01735453       0.31509972 
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          0.51976690       0.68198661       0.33426750 
          0.10791885       0.68136784       0.00290113 
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          0.52300372       0.47657477       0.56049616 
          0.82681246       0.55323847       0.02046971 
          0.19601143       0.90221492       0.93662654 
          0.06191422       0.11985960       0.69906414 
          0.26874668       0.85580431       0.24792006 
          0.97928850       0.62904621       0.52901935 
          0.92014662       0.17438150       0.58260146 
          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 
          0.10040697       0.62427275       0.85680809 
          0.73460021       0.66572723       0.58326734 
          0.40485757       0.85509303       0.19640537 
          0.50035722       0.13172074       0.58266995 
          0.02912608       0.53869697       0.02650870 
          0.73458107       0.62746225       0.43172444 
          0.13951069       0.18029632       0.92771011 
          0.15519329       0.60865391       0.68529279 
          0.19063724       0.76019117       0.99807854 
          0.90192886       0.61110183       0.66540713 
          0.73834281       0.70374029       0.43198282 
          0.95028123       0.05420312       0.16384869 
          0.78382401       0.08384307       0.12173230 
          0.10716966       0.38922226       0.89591862 
  
  
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
       3.31    3.32
       3.53    3.54
   
        485.29640442 
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    -100493.95861478 
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