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 
    
   
   
           0.17812883       0.56554385       0.72819920 
           0.38457691       0.57506148       0.67082122 
           0.28431311       0.61385872       0.72959054 
           0.39552219       0.63637383       0.49476798 
           0.47333611       0.64302406       0.78149534 
           0.17000483       0.37905995       0.74241220 
           0.12096879       0.62611384       0.57281901 
           0.13524077       0.62902825       0.84714728 
           0.46202723       0.61220259       0.45554838 
           0.38683053       0.74554946       0.49244191 
           0.34553157       0.59085710       0.42870300 
           0.48357383       0.75376010       0.77117454 
           0.46498125       0.61384675       0.88623390 
           0.09979858       0.34743065       0.74604511 
           0.20271410       0.34221886       0.83366296 
           0.20121470       0.32888699       0.65637727 
           0.15064907       0.58242912       0.48212639 
           0.12454765       0.73555303       0.56383013 
           0.05001349       0.59805270       0.57422462 
           0.31862568       0.93884080       0.92498509 
           0.53602930       0.59897603       0.74863323 
           0.39840219       0.42837927       0.67193478 
   
  
  
           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 
   
  
  
          0.17812883       0.56554385       0.72819920 
          0.38457691       0.57506148       0.67082122 
          0.28431311       0.61385872       0.72959054 
          0.39552219       0.63637383       0.49476798 
          0.47333611       0.64302406       0.78149534 
          0.17000483       0.37905995       0.74241220 
          0.12096879       0.62611384       0.57281901 
          0.13524077       0.62902825       0.84714728 
          0.46202723       0.61220259       0.45554838 
          0.38683053       0.74554946       0.49244191 
          0.34553157       0.59085710       0.42870300 
          0.48357383       0.75376010       0.77117454 
          0.46498125       0.61384675       0.88623390 
          0.09979858       0.34743065       0.74604511 
          0.20271410       0.34221886       0.83366296 
          0.20121470       0.32888699       0.65637727 
          0.15064907       0.58242912       0.48212639 
          0.12454765       0.73555303       0.56383013 
          0.05001349       0.59805270       0.57422462 
          0.31862568       0.93884080       0.92498509 
          0.53602930       0.59897603       0.74863323 
          0.39840219       0.42837927       0.67193478 
  
  
     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    1.68
       2.04    2.29
   
          4.76039610 
       1401.45204710 
      -2384.87134006 
         95.14589026 
        988.89567318 
       -957.91857019 
         -0.01292745 
       -286.98449982 
       1414.08307395 
        274.54974307 
        274.56267052 
        274.55405222 
   
  
  
       2.49    2.55
       2.49    2.55
   
        -34.20941133 
        -34.18935137 
        -34.20272468 
   
  
  
       2.72    2.73
       2.72    2.73
   
       -117.59485237 
       -117.53883290 
       -117.57617921 
   
  
  
       2.69    2.70
       2.69    2.70
   
       -122.88478548 
       -122.82837285 
       -122.86598127 
   
  
  
       3.02    3.03
       3.15    3.17
   
       -123.02247262 
       -122.96605373 
       -123.00366632 
   
  
  
       2.44    2.46
       3.57    3.59
   
       -110.17542258 
       -110.11900367 
       -110.15661628 
   
  
  
       2.58    2.59
       3.84    3.85
   
       -108.64782634 
       -108.59140743 
       -108.62902003 
   
  
  
       2.49    2.50
       3.68    3.69
   
       -108.12877358 
       -108.07235466 
       -108.10996727 
   
  
  
       2.24    2.27
       2.68    2.70
   
       -107.97411675 
       -107.91770153 
       -107.95531167 
   
  
  
       2.19    2.20
       2.61    2.62
   
       -107.96224128 
       -107.90587922 
       -107.94345393 
   
  
  
       2.26    2.27
       2.70    2.71
   
       -107.95059517 
       -107.89784222 
       -107.93301085 
   
  
  
       2.31    2.33
       2.79    2.81
   
       -107.95065013 
       -107.90366662 
       -107.93498896 
   
  
  
       2.21    2.27
       2.63    2.69
   
       -107.95089621 
       -107.91346106 
       -107.93841783 
   
  
  
       2.23    2.28
       2.70    2.74
   
       -107.95332126 
       -107.90853570 
       -107.93839274 
   
  
  
       2.35    2.38
       2.80    2.83
   
       -107.95784715 
       -107.90651901 
       -107.94073777