vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 05 17 
  22:59:05 
 
 
  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
 
 
  
   
    
           15.00000000       0.00000000       0.00000000 
            0.00000000      10.00000000       0.00000000 
            0.00000000       0.00000000      10.00000000 
    
       1500.00000000 
    
            0.06666667       0.00000000       0.00000000 
            0.00000000       0.10000000       0.00000000 
            0.00000000       0.00000000       0.10000000 
    
   
   
           0.17055791       0.56859027       0.72861191 
           0.37845040       0.59808398       0.68161453 
           0.27644364       0.61820209       0.73078414 
           0.39389903       0.65177113       0.50450157 
           0.44964344       0.68467189       0.80642385 
           0.16398507       0.38215472       0.74339478 
           0.11481196       0.62910055       0.57237276 
           0.12817861       0.63255871       0.84754109 
           0.46148023       0.64130145       0.46442173 
           0.37724983       0.75851125       0.50755307 
           0.34778126       0.60584668       0.43175102 
           0.50145062       0.75348510       0.78141823 
           0.45989296       0.63371657       0.90605273 
           0.09396092       0.34911998       0.74681329 
           0.19683767       0.34640655       0.83501042 
           0.19581650       0.33237821       0.65753350 
           0.14503449       0.58493621       0.48224581 
           0.11923683       0.73855831       0.56348591 
           0.04365036       0.60189891       0.57277267 
           0.36277018       0.87919684       0.88108444 
           0.50859795       0.49359749       0.70689579 
           0.44761485       0.47347925       0.68194757 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
  
 
 
  
          1        2        2 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       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 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       36
       -1
       -1
        45.00000000
        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
     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
           0.00000007
           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
   
  
  
       80
       50
       50
      160
      100
      100
    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
        40.90909091
         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  
  
 
 
        22 
         4 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    O    2
    C    3
    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
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       4C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      15H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          15.00000000       0.00000000       0.00000000 
           0.00000000      10.00000000       0.00000000 
           0.00000000       0.00000000      10.00000000 
   
      1500.00000000 
   
           0.06666667       0.00000000       0.00000000 
           0.00000000       0.10000000       0.00000000 
           0.00000000       0.00000000       0.10000000 
   
  
  
          0.17055791       0.56859027       0.72861191 
          0.37845040       0.59808398       0.68161453 
          0.27644364       0.61820209       0.73078414 
          0.39389903       0.65177113       0.50450157 
          0.44964344       0.68467189       0.80642385 
          0.16398507       0.38215472       0.74339478 
          0.11481196       0.62910055       0.57237276 
          0.12817861       0.63255871       0.84754109 
          0.46148023       0.64130145       0.46442173 
          0.37724983       0.75851125       0.50755307 
          0.34778126       0.60584668       0.43175102 
          0.50145062       0.75348510       0.78141823 
          0.45989296       0.63371657       0.90605273 
          0.09396092       0.34911998       0.74681329 
          0.19683767       0.34640655       0.83501042 
          0.19581650       0.33237821       0.65753350 
          0.14503449       0.58493621       0.48224581 
          0.11923683       0.73855831       0.56348591 
          0.04365036       0.60189891       0.57277267 
          0.36277018       0.87919684       0.88108444 
          0.50859795       0.49359749       0.70689579 
          0.44761485       0.47347925       0.68194757 
  
  
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
       1.43    1.65
       2.07    2.29
   
          4.76039610 
       1388.97405383 
      -2377.12440598 
         94.83830827 
        988.89567318 
       -957.91857019 
         -0.01207571 
       -290.42087040 
       1414.08307395 
        266.07558305 
        266.08765876 
        266.07960829 
   
  
  
       2.76    2.82
       2.76    2.82
   
        -36.20075793 
        -36.14557183 
        -36.18236256 
   
  
  
       2.62    2.63
       2.62    2.63
   
       -113.56247244 
       -113.51347463 
       -113.54613984 
   
  
  
       2.63    2.64
       2.63    2.64
   
       -118.56509320 
       -118.51711634 
       -118.54910091 
   
  
  
       2.93    2.94
       3.07    3.08
   
       -118.71705236 
       -118.66948154 
       -118.70119542 
   
  
  
       2.38    2.40
       3.47    3.48
   
       -106.49832514 
       -106.44190678 
       -106.47951902 
   
  
  
       2.57    2.59
       3.80    3.82
   
       -105.12176091 
       -105.06537418 
       -105.10296533 
   
  
  
       2.23    2.25
       3.30    3.32
   
       -104.66288269 
       -104.60754626 
       -104.64443722 
   
  
  
       2.26    2.29
       2.65    2.68
   
       -104.34455315 
       -104.28822761 
       -104.32577797 
   
  
  
       2.29    2.31
       2.68    2.69
   
       -104.27457206 
       -104.21869907 
       -104.25594773 
   
  
  
       2.39    2.41
       2.80    2.81
   
       -104.26660727 
       -104.21054189 
       -104.24791881 
   
  
  
       2.16    2.17
       2.58    2.59
   
       -104.26437557 
       -104.20829169 
       -104.24568094 
   
  
  
       2.34    2.39
       2.73    2.78
   
       -104.26507668 
       -104.20900766 
       -104.24638700 
   
  
  
       1.90    1.93
       2.30    2.32
   
       -104.27139180 
       -104.21532574 
       -104.25270311 
   
  
  
       2.26    2.28
       2.87    2.89
   
       -104.27463882 
       -104.21856309 
       -104.25594691 
   
  
  
       2.28    2.31
       2.76    2.79
   
       -104.27730409 
       -104.22122853 
       -104.25861224 
   
  
  
       1.53    1.62
       1.99    2.09
   
       -104.28019299 
       -104.22411428 
       -104.26150009