vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 30 
  22:22:14 
 
 
  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      0.32000000      0.73000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      19.66310000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       1632.96160543 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.05085668       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.56502909       0.18902978       0.16942771 
           0.49347420       0.86864318       0.36644718 
           0.84113558       0.07689529       0.25998776 
           0.84109587       0.03148922       0.64819960 
           0.44965367       0.10144214       0.60084297 
           0.43876725       0.38624140       0.22110734 
           0.28550274       0.92728553       0.34747173 
           0.09425418       0.06911434       0.55236425 
           0.20074395       0.59656231       0.26159754 
           0.53530735       0.95198290       0.46487923 
           0.59961041       0.80915434       0.34190666 
           0.57424472       0.15477993       0.73107768 
           0.92252947       0.29633215       0.20428690 
           0.61424438       0.30452450       0.68009762 
           0.61458259       0.39166750       0.96933646 
           0.98628005       0.53104635       0.75876738 
           0.68371481       0.82615775       0.14820963 
           0.34144205       0.79768886       0.68463774 
           0.58400308       0.56426347       0.57502956 
           0.56475033       0.77474680       0.19198199 
           0.86303849       0.39179945       0.45501657 
           0.68304339       0.80437696       0.55162991 
           0.79618447       0.10139792       0.28539116 
           0.23343448       0.05000707       0.42871447 
           0.98313244       0.71001396       0.53428386 
           0.32308928       0.29702559       0.22793715 
           0.82906600       0.97950952       0.34262131 
           0.97694811       0.40717380       0.30026661 
           0.53284506       0.70782380       0.66065040 
           0.36990138       0.44020162       0.99621706 
           0.50900806       0.50754223       0.09052004 
           0.70349255       0.64710721       0.75242693 
           0.47366994       0.75791777       0.27432969 
           0.49533106       0.63975199       0.16833398 
           0.45351466       0.01797693       0.74590295 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       605.39200000
         0.00001000
       38
       10
       87
       -1
       -1
       136.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -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
     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
           0.00000003
           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
   
  
  
       40
       96
       54
       80
      192
      108
    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      0.32000000      0.73000000
      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      1.00000000     16.00000000
         0.00000000      0.00000000      0.00000000
         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
        27.99362752
         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  
  
 
 
        35 
         3 
  
   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
    H    2
    H    2
    O    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      19.66310000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      1632.96160543 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.05085668       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.56502909       0.18902978       0.16942771 
          0.49347420       0.86864318       0.36644718 
          0.84113558       0.07689529       0.25998776 
          0.84109587       0.03148922       0.64819960 
          0.44965367       0.10144214       0.60084297 
          0.43876725       0.38624140       0.22110734 
          0.28550274       0.92728553       0.34747173 
          0.09425418       0.06911434       0.55236425 
          0.20074395       0.59656231       0.26159754 
          0.53530735       0.95198290       0.46487923 
          0.59961041       0.80915434       0.34190666 
          0.57424472       0.15477993       0.73107768 
          0.92252947       0.29633215       0.20428690 
          0.61424438       0.30452450       0.68009762 
          0.61458259       0.39166750       0.96933646 
          0.98628005       0.53104635       0.75876738 
          0.68371481       0.82615775       0.14820963 
          0.34144205       0.79768886       0.68463774 
          0.58400308       0.56426347       0.57502956 
          0.56475033       0.77474680       0.19198199 
          0.86303849       0.39179945       0.45501657 
          0.68304339       0.80437696       0.55162991 
          0.79618447       0.10139792       0.28539116 
          0.23343448       0.05000707       0.42871447 
          0.98313244       0.71001396       0.53428386 
          0.32308928       0.29702559       0.22793715 
          0.82906600       0.97950952       0.34262131 
          0.97694811       0.40717380       0.30026661 
          0.53284506       0.70782380       0.66065040 
          0.36990138       0.44020162       0.99621706 
          0.50900806       0.50754223       0.09052004 
          0.70349255       0.64710721       0.75242693 
          0.47366994       0.75791777       0.27432969 
          0.49533106       0.63975199       0.16833398 
          0.45351466       0.01797693       0.74590295 
  
 
 
  
       4.59    4.61
       5.30    5.32
   
         24.76344702 
      -1112.72249758 
      -2015.72026225 
       -289.81009373 
       3170.77911944 
      -2609.61052727 
         -0.03313366 
       -180.34290485 
       3755.32434067 
        742.62748779 
        742.66062145 
        742.63853234 
   
  
  
       6.28    6.28
       6.28    6.29
   
        138.26519649 
        138.24133484 
        138.25724261 
   
  
  
       7.32    7.34
       7.32    7.34
   
         45.95124566 
         45.98200336 
         45.96149823 
   
  
  
       7.54    7.54
       7.54    7.55
   
         37.65676236 
         37.68561579 
         37.66638017 
   
  
  
       7.23    7.24
       7.33    7.34
   
         37.25553022 
         37.28618075 
         37.26574707 
   
  
  
       6.97    6.98
       7.40    7.41
   
         39.67809056 
         39.70198895 
         39.68605669 
   
  
  
       7.97    7.99
       8.40    8.42
   
       -148.54065689 
       -148.55335070 
       -148.54488816 
   
  
  
       6.69    6.71
       7.17    7.19
   
         48.65674133 
         48.65576516 
         48.65641594 
   
  
  
       6.34    6.36
       6.86    6.89
   
         57.46985455 
         57.49219075 
         57.47729995 
   
  
  
       6.42    6.45
       6.86    6.90
   
         67.82388433 
         67.84356028 
         67.83044298 
   
  
  
       6.08    6.10
       6.60    6.62
   
         70.33207551 
         70.35984745 
         70.34133282 
   
  
  
       6.35    6.38
       6.88    6.91
   
         71.80389812 
         71.79569302 
         71.80116309