vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 11 16 
  01:51:57 
 
 
  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 
    
   
   
           0.12740384       0.12890086       0.38607222 
           0.37307299       0.12279941       0.30720796 
           0.46169446       0.13735367       0.72014328 
           0.09978305       0.39634433       0.14973271 
           0.09277889       0.38079843       0.46262361 
           0.35082231       0.36968633       0.22868590 
           0.31741125       0.03790883       0.92609164 
           0.12820915       0.63002532       0.38203035 
           0.37896583       0.62309531       0.30671847 
           0.21877709       0.30517206       0.46681975 
           0.11286971       0.89485901       0.14663972 
           0.08764100       0.87483054       0.46362035 
           0.35897374       0.87059006       0.22855124 
           0.22415215       0.49557226       0.13695250 
           0.62414913       0.17203627       0.38678615 
           0.86881997       0.09774919       0.30825759 
           0.41203150       0.65392539       0.21007641 
           0.59601963       0.36784664       0.14859477 
           0.59937269       0.42352606       0.46104197 
           0.84625534       0.34639462       0.22954360 
           0.64790920       0.77449569       0.68628127 
           0.63152783       0.67766210       0.38520215 
           0.87521742       0.60346597       0.30513165 
           0.14886030       0.96114612       0.88324583 
           0.60332622       0.86837225       0.14765716 
           0.58939288       0.92371827       0.46328244 
           0.85635293       0.84914624       0.22649199 
           0.57577473       0.10335572       0.08048964 
           0.75662334       0.74793455       0.67402029 
           0.31850252       0.12698157       0.95720882 
           0.58088713       0.37086465       0.18782990 
           0.07082567       0.01605767       0.10340985 
           0.08074024       0.02957639       0.43854615 
           0.30071186       0.24159763       0.26847219 
           0.90912408       0.63826429       0.02758002 
           0.15365556       0.26951691       0.10765904 
           0.15542530       0.27741052       0.41504719 
           0.41741188       0.49041704       0.26794961 
           0.30359419       0.14033456       0.16949518 
           0.46442363       0.30976375       0.18414952 
           0.44768285       0.37577436       0.48071881 
           0.22195689       0.43634768       0.19446452 
           0.33370801       0.48160055       0.81976878 
           0.26658143       0.07109812       0.35635794 
           0.46456798       0.54818083       0.07755926 
           0.01325498       0.14553908       0.33619000 
           0.04009032       0.96489744       0.63005265 
           0.05003005       0.52117625       0.10977306 
           0.07014146       0.52793220       0.43133065 
           0.30756474       0.74299682       0.26829573 
           0.82458920       0.56111491       0.81544195 
           0.16504373       0.76345822       0.10671758 
           0.14328672       0.77913051       0.41218872 
           0.42099627       0.99308835       0.26836329 
           0.92675543       0.27946718       0.77175607 
           0.47584135       0.81024363       0.18565712 
           0.43908256       0.87108206       0.48370152 
           0.23276255       0.93582339       0.19223518 
           0.26008888       0.01334458       0.42540270 
           0.27632526       0.57821086       0.35848542 
           0.02797161       0.64314865       0.32704934 
           0.98314544       0.21472875       0.74886517 
           0.55721482       0.98865635       0.10457854 
           0.57479214       0.08110357       0.44156508 
           0.81668019       0.19575952       0.25655408 
           0.91741147       0.01520568       0.76672665 
           0.64974179       0.23766928       0.10834166 
           0.65805899       0.32553635       0.41027634 
           0.87832701       0.44573350       0.28362336 
           0.98526728       0.97470922       0.44983952 
           0.97436612       0.33016713       0.18596014 
           0.94570554       0.32734056       0.48719051 
           0.71551508       0.40615680       0.19461424 
           0.64801244       0.49273662       0.99338126 
           0.75805201       0.09834898       0.35989397 
           0.02876020       0.34198777       0.19346759 
           0.50750799       0.18680426       0.33798771 
           0.25815612       0.14764267       0.96268436 
           0.55344723       0.48984940       0.10578583 
           0.58711605       0.57987401       0.43813498 
           0.82540490       0.69653816       0.25149513 
           0.44890890       0.73890737       0.39296821 
           0.65385768       0.73671696       0.10757781 
           0.64769071       0.83157194       0.41099752 
           0.88881539       0.94546124       0.28163979 
           0.43652135       0.57605704       0.44037660 
           0.98435387       0.83546926       0.18293276 
           0.93590153       0.82944869       0.48607429 
           0.72602198       0.91038609       0.19169992 
           0.11777229       0.60176362       0.63353786 
           0.77546772       0.62287408       0.35984362 
           0.51943332       0.68229469       0.33428307 
           0.28514614       0.30551020       0.40035562 
           0.01485987       0.79925334       0.49997123 
           0.86478968       0.17916978       0.25404368 
           0.27708111       0.31071787       0.10933558 
           0.48388828       0.46721275       0.14740080 
           0.84886246       0.43726505       0.67998509 
           0.55021956       0.36856074       0.33387499 
           0.19528574       0.79037988       0.78697686 
           0.39896493       0.31835509       0.25322513 
           0.10240394       0.11291432       0.10751833 
           0.19897698       0.29866980       0.07279774 
           0.09519214       0.61295348       0.10981329 
           0.20929093       0.78897995       0.07111639 
           0.59160867       0.08478510       0.10829564 
           0.68835213       0.26491811       0.07183861 
           0.59187898       0.58448740       0.10856765 
           0.69384084       0.76265217       0.07116192 
           0.57595569       0.25938949       0.15856323 
           0.25403109       0.29759563       0.63609110 
           0.13995828       0.23562134       0.20159578 
           0.68249734       0.73642031       0.52328981 
           0.69000523       0.11436404       0.03331929 
           0.39476495       0.63831442       0.16630884 
           0.31126678       0.00910260       0.80195356 
           0.32333195       0.79104186       0.85146456 
           0.95758037       0.51230659       0.25281458 
           0.57472031       0.50181610       0.62345376 
           0.35825528       0.84580841       0.22936218 
           0.23107733       0.16441014       0.24496523 
           0.91993189       0.99482106       0.70925446 
           0.19941612       0.10991955       0.67475668 
   
  
  
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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
      342
       -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
  
  
        3
        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 
   
  
  
          0.12740384       0.12890086       0.38607222 
          0.37307299       0.12279941       0.30720796 
          0.46169446       0.13735367       0.72014328 
          0.09978305       0.39634433       0.14973271 
          0.09277889       0.38079843       0.46262361 
          0.35082231       0.36968633       0.22868590 
          0.31741125       0.03790883       0.92609164 
          0.12820915       0.63002532       0.38203035 
          0.37896583       0.62309531       0.30671847 
          0.21877709       0.30517206       0.46681975 
          0.11286971       0.89485901       0.14663972 
          0.08764100       0.87483054       0.46362035 
          0.35897374       0.87059006       0.22855124 
          0.22415215       0.49557226       0.13695250 
          0.62414913       0.17203627       0.38678615 
          0.86881997       0.09774919       0.30825759 
          0.41203150       0.65392539       0.21007641 
          0.59601963       0.36784664       0.14859477 
          0.59937269       0.42352606       0.46104197 
          0.84625534       0.34639462       0.22954360 
          0.64790920       0.77449569       0.68628127 
          0.63152783       0.67766210       0.38520215 
          0.87521742       0.60346597       0.30513165 
          0.14886030       0.96114612       0.88324583 
          0.60332622       0.86837225       0.14765716 
          0.58939288       0.92371827       0.46328244 
          0.85635293       0.84914624       0.22649199 
          0.57577473       0.10335572       0.08048964 
          0.75662334       0.74793455       0.67402029 
          0.31850252       0.12698157       0.95720882 
          0.58088713       0.37086465       0.18782990 
          0.07082567       0.01605767       0.10340985 
          0.08074024       0.02957639       0.43854615 
          0.30071186       0.24159763       0.26847219 
          0.90912408       0.63826429       0.02758002 
          0.15365556       0.26951691       0.10765904 
          0.15542530       0.27741052       0.41504719 
          0.41741188       0.49041704       0.26794961 
          0.30359419       0.14033456       0.16949518 
          0.46442363       0.30976375       0.18414952 
          0.44768285       0.37577436       0.48071881 
          0.22195689       0.43634768       0.19446452 
          0.33370801       0.48160055       0.81976878 
          0.26658143       0.07109812       0.35635794 
          0.46456798       0.54818083       0.07755926 
          0.01325498       0.14553908       0.33619000 
          0.04009032       0.96489744       0.63005265 
          0.05003005       0.52117625       0.10977306 
          0.07014146       0.52793220       0.43133065 
          0.30756474       0.74299682       0.26829573 
          0.82458920       0.56111491       0.81544195 
          0.16504373       0.76345822       0.10671758 
          0.14328672       0.77913051       0.41218872 
          0.42099627       0.99308835       0.26836329 
          0.92675543       0.27946718       0.77175607 
          0.47584135       0.81024363       0.18565712 
          0.43908256       0.87108206       0.48370152 
          0.23276255       0.93582339       0.19223518 
          0.26008888       0.01334458       0.42540270 
          0.27632526       0.57821086       0.35848542 
          0.02797161       0.64314865       0.32704934 
          0.98314544       0.21472875       0.74886517 
          0.55721482       0.98865635       0.10457854 
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