vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 01 07 
  20:57:45 
 
 
  6OEt_Si2C2H4 on Si-OH surface
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
       2
        0.00001000
       -0.02000000
     800
       2
       1
      400.00000000
        1.11000000      0.73000000      0.32000000      0.77000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           11.60079000       0.00000000       0.00000000 
            0.00000000      30.46772000       0.00000000 
            0.00000000       0.00000000      16.40601000 
    
       5798.69802481 
    
            0.08620103       0.00000000       0.00000000 
            0.00000000       0.03282162       0.00000000 
            0.00000000       0.00000000       0.06095327 
    
   
   
           0.91379897       0.33698378       0.14738005 
           0.91379897       0.40044324       0.06404672 
           0.08046564       0.33698378       0.23071338 
           0.08046564       0.40044324       0.98071338 
           0.91379897       0.59082161       0.14738005 
           0.91379897       0.14660541       0.06404672 
           0.08046564       0.59082161       0.23071338 
           0.08046564       0.14660541       0.98071338 
           0.91379897       0.21006487       0.14738005 
           0.91379897       0.52736216       0.06404672 
           0.08046564       0.21006487       0.23071338 
           0.08046564       0.52736216       0.98071338 
           0.91379897       0.46390270       0.14738005 
           0.91379897       0.27352432       0.06404672 
           0.08046564       0.46390270       0.23071338 
           0.08046564       0.27352432       0.98071338 
           0.91379897       0.33698378       0.48071338 
           0.91379897       0.40044324       0.39738005 
           0.08046564       0.33698378       0.56404672 
           0.08046564       0.40044324       0.31404672 
           0.91379897       0.59082161       0.48071338 
           0.91379897       0.14660541       0.39738005 
           0.08046564       0.59082161       0.56404672 
           0.08046564       0.14660541       0.31404672 
           0.91379897       0.21006487       0.48071338 
           0.91379897       0.52736216       0.39738005 
           0.08046564       0.21006487       0.56404672 
           0.08046564       0.52736216       0.31404672 
           0.91379897       0.46390270       0.48071338 
           0.91379897       0.27352432       0.39738005 
           0.08046564       0.46390270       0.56404672 
           0.08046564       0.27352432       0.31404672 
           0.91379897       0.33698378       0.81404672 
           0.91379897       0.40044324       0.73071338 
           0.08046564       0.33698378       0.89738005 
           0.08046564       0.40044324       0.64738005 
           0.91379897       0.59082161       0.81404672 
           0.91379897       0.14660541       0.73071338 
           0.08046564       0.59082161       0.89738005 
           0.08046564       0.14660541       0.64738005 
           0.91379897       0.21006487       0.81404672 
           0.91379897       0.52736216       0.73071338 
           0.08046564       0.21006487       0.89738005 
           0.08046564       0.52736216       0.64738005 
           0.91379897       0.46390270       0.81404672 
           0.91379897       0.27352432       0.73071338 
           0.08046564       0.46390270       0.89738005 
           0.08046564       0.27352432       0.64738005 
           0.24713230       0.33698378       0.14738005 
           0.24713230       0.40044324       0.06404672 
           0.41379897       0.33698378       0.23071338 
           0.41379897       0.40044324       0.98071338 
           0.24713230       0.59082161       0.14738005 
           0.24713230       0.14660541       0.06404672 
           0.41379897       0.59082161       0.23071338 
           0.41379897       0.14660541       0.98071338 
           0.24713230       0.21006487       0.14738005 
           0.24713230       0.52736216       0.06404672 
           0.41379897       0.21006487       0.23071338 
           0.41379897       0.52736216       0.98071338 
           0.24713230       0.46390270       0.14738005 
           0.24713230       0.27352432       0.06404672 
           0.41379897       0.46390270       0.23071338 
           0.41379897       0.27352432       0.98071338 
           0.24713230       0.33698378       0.48071338 
           0.24713230       0.40044324       0.39738005 
           0.41379897       0.33698378       0.56404672 
           0.41379897       0.40044324       0.31404672 
           0.24713230       0.59082161       0.48071338 
           0.24713230       0.14660541       0.39738005 
           0.41379897       0.59082161       0.56404672 
           0.41379897       0.14660541       0.31404672 
           0.24713230       0.21006487       0.48071338 
           0.24713230       0.52736216       0.39738005 
           0.41379897       0.21006487       0.56404672 
           0.41379897       0.52736216       0.31404672 
           0.24713230       0.46390270       0.48071338 
           0.24713230       0.27352432       0.39738005 
           0.41379897       0.46390270       0.56404672 
           0.41379897       0.27352432       0.31404672 
           0.24713230       0.33698378       0.81404672 
           0.24713230       0.40044324       0.73071338 
           0.41379897       0.33698378       0.89738005 
           0.41379897       0.40044324       0.64738005 
           0.24713230       0.59082161       0.81404672 
           0.24713230       0.14660541       0.73071338 
           0.41379897       0.59082161       0.89738005 
           0.41379897       0.14660541       0.64738005 
           0.24713230       0.21006487       0.81404672 
           0.24713230       0.52736216       0.73071338 
           0.41379897       0.21006487       0.89738005 
           0.41379897       0.52736216       0.64738005 
           0.24713230       0.46390270       0.81404672 
           0.24713230       0.27352432       0.73071338 
           0.41379897       0.46390270       0.89738005 
           0.41379897       0.27352432       0.64738005 
           0.58046564       0.33698378       0.14738005 
           0.58046564       0.40044324       0.06404672 
           0.74713230       0.33698378       0.23071338 
           0.74713230       0.40044324       0.98071338 
           0.58046564       0.59082161       0.14738005 
           0.58046564       0.14660541       0.06404672 
           0.74713230       0.59082161       0.23071338 
           0.74713230       0.14660541       0.98071338 
           0.58046564       0.21006487       0.14738005 
           0.58046564       0.52736216       0.06404672 
           0.74713230       0.21006487       0.23071338 
           0.74713230       0.52736216       0.98071338 
           0.58046564       0.46390270       0.14738005 
           0.58046564       0.27352432       0.06404672 
           0.74713230       0.46390270       0.23071338 
           0.74713230       0.27352432       0.98071338 
           0.58046564       0.33698378       0.48071338 
           0.58046564       0.40044324       0.39738005 
           0.74713230       0.33698378       0.56404672 
           0.74713230       0.40044324       0.31404672 
           0.58046564       0.59082161       0.48071338 
           0.58046564       0.14660541       0.39738005 
           0.74713230       0.59082161       0.56404672 
           0.74713230       0.14660541       0.31404672 
           0.58046564       0.21006487       0.48071338 
           0.58046564       0.52736216       0.39738005 
           0.74713230       0.21006487       0.56404672 
           0.74713230       0.52736216       0.31404672 
           0.58046564       0.46390270       0.48071338 
           0.58046564       0.27352432       0.39738005 
           0.74713230       0.46390270       0.56404672 
           0.74713230       0.27352432       0.31404672 
           0.58046564       0.33698378       0.81404672 
           0.58046564       0.40044324       0.73071338 
           0.74713230       0.33698378       0.89738005 
           0.74713230       0.40044324       0.64738005 
           0.58046564       0.59082161       0.81404672 
           0.58046564       0.14660541       0.73071338 
           0.74713230       0.59082161       0.89738005 
           0.74713230       0.14660541       0.64738005 
           0.58046564       0.21006487       0.81404672 
           0.58046564       0.52736216       0.73071338 
           0.74713230       0.21006487       0.89738005 
           0.74713230       0.52736216       0.64738005 
           0.58046564       0.46390270       0.81404672 
           0.58046564       0.27352432       0.73071338 
           0.74713230       0.46390270       0.89738005 
           0.74713230       0.27352432       0.64738005 
           0.54163875       0.75446575       0.43476495 
           0.68296646       0.82164393       0.66533709 
           0.91379897       0.65099093       0.15699774 
           0.91379887       0.08820327       0.09259776 
           0.08046564       0.65099093       0.22109569 
           0.08046554       0.08820327       0.95216234 
           0.91379897       0.65099093       0.49033107 
           0.91379887       0.08820327       0.42593109 
           0.08046564       0.65099093       0.55442903 
           0.08046554       0.08820327       0.28549568 
           0.91379897       0.65099093       0.82366441 
           0.91379887       0.08820327       0.75926442 
           0.08046564       0.65099093       0.88776236 
           0.08046554       0.08820327       0.61882901 
           0.24713230       0.65099093       0.15699774 
           0.24713220       0.08820327       0.09259776 
           0.41379897       0.65099093       0.22109569 
           0.41379887       0.08820327       0.95216234 
           0.24713230       0.65099093       0.49033107 
           0.24713220       0.08820327       0.42593109 
           0.41379897       0.65099093       0.55442903 
           0.41379887       0.08820327       0.28549568 
           0.24713230       0.65099093       0.82366441 
           0.24713220       0.08820327       0.75926442 
           0.41379897       0.65099093       0.88776236 
           0.41379887       0.08820327       0.61882901 
           0.58046564       0.65099093       0.15699774 
           0.58046554       0.08820327       0.09259776 
           0.74713230       0.65099093       0.22109569 
           0.74713220       0.08820327       0.95216234 
           0.58046564       0.65099093       0.49033107 
           0.58046554       0.08820327       0.42593109 
           0.74713230       0.65099093       0.55442903 
           0.74713220       0.08820327       0.28549568 
           0.58046564       0.65099093       0.82366441 
           0.58046554       0.08820327       0.75926442 
           0.74713230       0.65099093       0.88776236 
           0.74713220       0.08820327       0.61882901 
           0.81720902       0.85719978       0.66304221 
           0.71229804       0.78114635       0.74622034 
           0.54414412       0.85089511       0.69523392 
           0.54885877       0.78385591       0.33167857 
           0.41476390       0.71594440       0.44684518 
           0.67026213       0.71876795       0.44528023 
           0.83614790       0.66410251       0.15681864 
           0.99175652       0.07777478       0.09576424 
           0.00281457       0.65883976       0.21756620 
           0.15842319       0.07828692       0.94538288 
           0.83614790       0.66410251       0.49015197 
           0.99175652       0.07777478       0.42909758 
           0.00281457       0.65883976       0.55089954 
           0.15842319       0.07828692       0.27871621 
           0.83614790       0.66410251       0.82348530 
           0.99175652       0.07777478       0.76243091 
           0.00281457       0.65883976       0.88423287 
           0.15842319       0.07828692       0.61204954 
           0.16948123       0.66410251       0.15681864 
           0.32508986       0.07777478       0.09576424 
           0.33614790       0.65883976       0.21756620 
           0.49175652       0.07828692       0.94538288 
           0.16948123       0.66410251       0.49015197 
           0.32508986       0.07777478       0.42909758 
           0.33614790       0.65883976       0.55089954 
           0.49175652       0.07828692       0.27871621 
           0.16948123       0.66410251       0.82348530 
           0.32508986       0.07777478       0.76243091 
           0.33614790       0.65883976       0.88423287 
           0.49175652       0.07828692       0.61204954 
           0.50281457       0.66410251       0.15681864 
           0.65842319       0.07777478       0.09576424 
           0.66948123       0.65883976       0.21756620 
           0.82508986       0.07828692       0.94538288 
           0.50281457       0.66410251       0.49015197 
           0.65842319       0.07777478       0.42909758 
           0.66948123       0.65883976       0.55089954 
           0.82508986       0.07828692       0.27871621 
           0.50281457       0.66410251       0.82348530 
           0.65842319       0.07777478       0.76243091 
           0.66948123       0.65883976       0.88423287 
           0.82508986       0.07828692       0.61204954 
           0.88672882       0.91675208       0.61675753 
           0.81117591       0.88449658       0.54357213 
           0.70070205       0.94959061       0.58528022 
           0.70545092       0.93060608       0.68821147 
           0.63462139       0.89970987       0.61214288 
           0.59273169       0.91807196       0.67841269 
           0.52784129       0.89317115       0.59065915 
           0.39581640       0.94649753       0.65703431 
           0.40627111       0.91683752       0.75026723 
           0.34040639       0.89212477       0.66377783 
           0.62337452       0.72932322       0.80530945 
           0.55698028       0.78172016       0.81448638 
           0.44765065       0.73373107       0.71934675 
           0.57317773       0.72756770       0.65802578 
           0.50630119       0.77987677       0.66734391 
           0.84744837       0.71899310       0.41321411 
           0.75111017       0.72080842       0.32899886 
           0.84747924       0.79265483       0.34958984 
           0.79261551       0.79495596       0.45032467 
           0.69640191       0.79706620       0.36637265 
           0.23155698       0.71367001       0.45638880 
           0.29424054       0.76490601       0.48465063 
           0.19773275       0.76863917       0.35069486 
           0.29147094       0.72648452       0.31463250 
           0.34607315       0.77710315       0.34629522 
           0.39375932       0.75200352       0.28899880 
           0.37920657       0.81012713       0.30759325 
           0.37642280       0.79377047       0.15970584 
           0.51482122       0.76881769       0.16745953 
           0.49885808       0.82590765       0.18689105 
           0.54259575       0.82884964       0.49985923 
           0.47741866       0.78933593       0.56567682 
           0.73476559       0.79780385       0.52572769 
           0.67567995       0.75376058       0.58167293 
           0.54790478       0.79536994       0.52338113 
           0.66640688       0.78847604       0.56714116 
           0.81193342       0.89568602       0.60654290 
           0.70542350       0.92071800       0.62393594 
           0.52635203       0.89576112       0.65735263 
           0.40854296       0.91409629       0.68403326 
           0.60294729       0.75974946       0.77345879 
           0.52696927       0.74950159       0.69911531 
           0.76686743       0.73284171       0.39045079 
           0.77640638       0.78304778       0.38912769 
           0.29875562       0.73759006       0.44206537 
           0.28221325       0.75381442       0.35738250 
           0.43561966       0.78403433       0.28386586 
           0.45839866       0.79380921       0.19283450 
   
  
  
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          2        1        1 
         0.00000000       0.00000000       0.00000000 
         0.50000000       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 
          0.50000000       0.00000000       0.00000000 
  
  
          0.50000000 
          0.50000000 
  
 
 
  
   6OEt_Si2C2H4 on Si-OH surface
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       11
      620
       -1
       -1
       962.00000000
        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      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      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  
           0.00100000
           0.00000000
           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
      150
       80
      120
      300
      160
    F  
  
  
      800
        2
        0
        2
         0.00000000
        -0.02000000
        1
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
      800
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.73000000      0.32000000      0.77000000
      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      1.00000000     12.01100000
         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
        12.79124564
         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  
  
 
 
       272 
         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
    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
    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
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
     146Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      42O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      70H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
      14C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
   
  
 
 
  
   
          11.60079000       0.00000000       0.00000000 
           0.00000000      30.46772000       0.00000000 
           0.00000000       0.00000000      16.40601000 
   
      5798.69802481 
   
           0.08620103       0.00000000       0.00000000 
           0.00000000       0.03282162       0.00000000 
           0.00000000       0.00000000       0.06095327 
   
  
  
          0.91379897       0.33698378       0.14738005 
          0.91379897       0.40044324       0.06404672 
          0.08046564       0.33698378       0.23071338 
          0.08046564       0.40044324       0.98071338 
          0.91379897       0.59082161       0.14738005 
          0.91379897       0.14660541       0.06404672 
          0.08046564       0.59082161       0.23071338 
          0.08046564       0.14660541       0.98071338 
          0.91379897       0.21006487       0.14738005 
          0.91379897       0.52736216       0.06404672 
          0.08046564       0.21006487       0.23071338 
          0.08046564       0.52736216       0.98071338 
          0.91379897       0.46390270       0.14738005 
          0.91379897       0.27352432       0.06404672 
          0.08046564       0.46390270       0.23071338 
          0.08046564       0.27352432       0.98071338 
          0.91379897       0.33698378       0.48071338 
          0.91379897       0.40044324       0.39738005 
          0.08046564       0.33698378       0.56404672 
          0.08046564       0.40044324       0.31404672 
          0.91379897       0.59082161       0.48071338 
          0.91379897       0.14660541       0.39738005 
          0.08046564       0.59082161       0.56404672 
          0.08046564       0.14660541       0.31404672 
          0.91379897       0.21006487       0.48071338 
          0.91379897       0.52736216       0.39738005 
          0.08046564       0.21006487       0.56404672 
          0.08046564       0.52736216       0.31404672 
          0.91379897       0.46390270       0.48071338 
          0.91379897       0.27352432       0.39738005 
          0.08046564       0.46390270       0.56404672 
          0.08046564       0.27352432       0.31404672 
          0.91379897       0.33698378       0.81404672 
          0.91379897       0.40044324       0.73071338 
          0.08046564       0.33698378       0.89738005 
          0.08046564       0.40044324       0.64738005 
          0.91379897       0.59082161       0.81404672 
          0.91379897       0.14660541       0.73071338 
          0.08046564       0.59082161       0.89738005 
          0.08046564       0.14660541       0.64738005 
          0.91379897       0.21006487       0.81404672 
          0.91379897       0.52736216       0.73071338 
          0.08046564       0.21006487       0.89738005 
          0.08046564       0.52736216       0.64738005 
          0.91379897       0.46390270       0.81404672 
          0.91379897       0.27352432       0.73071338 
          0.08046564       0.46390270       0.89738005 
          0.08046564       0.27352432       0.64738005 
          0.24713230       0.33698378       0.14738005 
          0.24713230       0.40044324       0.06404672 
          0.41379897       0.33698378       0.23071338 
          0.41379897       0.40044324       0.98071338 
          0.24713230       0.59082161       0.14738005 
          0.24713230       0.14660541       0.06404672 
          0.41379897       0.59082161       0.23071338 
          0.41379897       0.14660541       0.98071338 
          0.24713230       0.21006487       0.14738005 
          0.24713230       0.52736216       0.06404672 
          0.41379897       0.21006487       0.23071338 
          0.41379897       0.52736216       0.98071338 
          0.24713230       0.46390270       0.14738005 
          0.24713230       0.27352432       0.06404672 
          0.41379897       0.46390270       0.23071338 
          0.41379897       0.27352432       0.98071338 
          0.24713230       0.33698378       0.48071338 
          0.24713230       0.40044324       0.39738005 
          0.41379897       0.33698378       0.56404672 
          0.41379897       0.40044324       0.31404672 
          0.24713230       0.59082161       0.48071338 
          0.24713230       0.14660541       0.39738005 
          0.41379897       0.59082161       0.56404672 
          0.41379897       0.14660541       0.31404672 
          0.24713230       0.21006487       0.48071338 
          0.24713230       0.52736216       0.39738005 
          0.41379897       0.21006487       0.56404672 
          0.41379897       0.52736216       0.31404672 
          0.24713230       0.46390270       0.48071338 
          0.24713230       0.27352432       0.39738005 
          0.41379897       0.46390270       0.56404672 
          0.41379897       0.27352432       0.31404672 
          0.24713230       0.33698378       0.81404672 
          0.24713230       0.40044324       0.73071338 
          0.41379897       0.33698378       0.89738005 
          0.41379897       0.40044324       0.64738005 
          0.24713230       0.59082161       0.81404672 
          0.24713230       0.14660541       0.73071338 
          0.41379897       0.59082161       0.89738005 
          0.41379897       0.14660541       0.64738005 
          0.24713230       0.21006487       0.81404672 
          0.24713230       0.52736216       0.73071338 
          0.41379897       0.21006487       0.89738005 
          0.41379897       0.52736216       0.64738005 
          0.24713230       0.46390270       0.81404672 
          0.24713230       0.27352432       0.73071338 
          0.41379897       0.46390270       0.89738005 
          0.41379897       0.27352432       0.64738005 
          0.58046564       0.33698378       0.14738005 
          0.58046564       0.40044324       0.06404672 
          0.74713230       0.33698378       0.23071338 
          0.74713230       0.40044324       0.98071338 
          0.58046564       0.59082161       0.14738005 
          0.58046564       0.14660541       0.06404672 
          0.74713230       0.59082161       0.23071338 
          0.74713230       0.14660541       0.98071338 
          0.58046564       0.21006487       0.14738005 
          0.58046564       0.52736216       0.06404672 
          0.74713230       0.21006487       0.23071338 
          0.74713230       0.52736216       0.98071338 
          0.58046564       0.46390270       0.14738005 
          0.58046564       0.27352432       0.06404672 
          0.74713230       0.46390270       0.23071338 
          0.74713230       0.27352432       0.98071338 
          0.58046564       0.33698378       0.48071338 
          0.58046564       0.40044324       0.39738005 
          0.74713230       0.33698378       0.56404672 
          0.74713230       0.40044324       0.31404672 
          0.58046564       0.59082161       0.48071338 
          0.58046564       0.14660541       0.39738005 
          0.74713230       0.59082161       0.56404672 
          0.74713230       0.14660541       0.31404672 
          0.58046564       0.21006487       0.48071338 
          0.58046564       0.52736216       0.39738005 
          0.74713230       0.21006487       0.56404672 
          0.74713230       0.52736216       0.31404672 
          0.58046564       0.46390270       0.48071338 
          0.58046564       0.27352432       0.39738005 
          0.74713230       0.46390270       0.56404672 
          0.74713230       0.27352432       0.31404672 
          0.58046564       0.33698378       0.81404672 
          0.58046564       0.40044324       0.73071338 
          0.74713230       0.33698378       0.89738005 
          0.74713230       0.40044324       0.64738005 
          0.58046564       0.59082161       0.81404672 
          0.58046564       0.14660541       0.73071338 
          0.74713230       0.59082161       0.89738005 
          0.74713230       0.14660541       0.64738005 
          0.58046564       0.21006487       0.81404672 
          0.58046564       0.52736216       0.73071338 
          0.74713230       0.21006487       0.89738005 
          0.74713230       0.52736216       0.64738005 
          0.58046564       0.46390270       0.81404672 
          0.58046564       0.27352432       0.73071338 
          0.74713230       0.46390270       0.89738005 
          0.74713230       0.27352432       0.64738005 
          0.54163875       0.75446575       0.43476495 
          0.68296646       0.82164393       0.66533709 
          0.91379897       0.65099093       0.15699774 
          0.91379887       0.08820327       0.09259776 
          0.08046564       0.65099093       0.22109569 
          0.08046554       0.08820327       0.95216234 
          0.91379897       0.65099093       0.49033107 
          0.91379887       0.08820327       0.42593109 
          0.08046564       0.65099093       0.55442903 
          0.08046554       0.08820327       0.28549568 
          0.91379897       0.65099093       0.82366441 
          0.91379887       0.08820327       0.75926442 
          0.08046564       0.65099093       0.88776236 
          0.08046554       0.08820327       0.61882901 
          0.24713230       0.65099093       0.15699774 
          0.24713220       0.08820327       0.09259776 
          0.41379897       0.65099093       0.22109569 
          0.41379887       0.08820327       0.95216234 
          0.24713230       0.65099093       0.49033107 
          0.24713220       0.08820327       0.42593109 
          0.41379897       0.65099093       0.55442903 
          0.41379887       0.08820327       0.28549568 
          0.24713230       0.65099093       0.82366441 
          0.24713220       0.08820327       0.75926442 
          0.41379897       0.65099093       0.88776236 
          0.41379887       0.08820327       0.61882901 
          0.58046564       0.65099093       0.15699774 
          0.58046554       0.08820327       0.09259776 
          0.74713230       0.65099093       0.22109569 
          0.74713220       0.08820327       0.95216234 
          0.58046564       0.65099093       0.49033107 
          0.58046554       0.08820327       0.42593109 
          0.74713230       0.65099093       0.55442903 
          0.74713220       0.08820327       0.28549568 
          0.58046564       0.65099093       0.82366441 
          0.58046554       0.08820327       0.75926442 
          0.74713230       0.65099093       0.88776236 
          0.74713220       0.08820327       0.61882901 
          0.81720902       0.85719978       0.66304221 
          0.71229804       0.78114635       0.74622034 
          0.54414412       0.85089511       0.69523392 
          0.54885877       0.78385591       0.33167857 
          0.41476390       0.71594440       0.44684518 
          0.67026213       0.71876795       0.44528023 
          0.83614790       0.66410251       0.15681864 
          0.99175652       0.07777478       0.09576424 
          0.00281457       0.65883976       0.21756620 
          0.15842319       0.07828692       0.94538288 
          0.83614790       0.66410251       0.49015197 
          0.99175652       0.07777478       0.42909758 
          0.00281457       0.65883976       0.55089954 
          0.15842319       0.07828692       0.27871621 
          0.83614790       0.66410251       0.82348530 
          0.99175652       0.07777478       0.76243091 
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