vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 30 
  12:31:12 
 
 
  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 
    
   
   
           0.01278611       0.36753918       0.69067230 
           0.81129498       0.32552729       0.09648819 
           0.75235655       0.78175044       0.02609904 
           0.82445559       0.89961424       0.27663901 
           0.63561126       0.47165561       0.73725402 
           0.39341832       0.43349956       0.03575934 
           0.65018277       0.75648577       0.91083156 
           0.76056498       0.56580304       0.86215981 
           0.39991056       0.96508419       0.12053315 
           0.35535348       0.74391766       0.37881113 
           0.41618722       0.06200818       0.87878410 
           0.43958941       0.24130329       0.61919704 
           0.52025053       0.19826014       0.75331866 
           0.44094910       0.62717329       0.35564235 
           0.58333658       0.52025233       0.37728731 
           0.62048136       0.16318847       0.25631617 
           0.15357743       0.49471941       0.69542161 
           0.87548988       0.31561733       0.28696640 
           0.91268637       0.39943553       0.36188693 
           0.66997219       0.94253637       0.50718126 
           0.06234902       0.10030244       0.88026587 
           0.89698826       0.65830494       0.35557737 
           0.13805962       0.58821463       0.33761794 
           0.64412115       0.21271619       0.89363117 
           0.58737372       0.69750038       0.22612918 
           0.26619723       0.74048448       0.58924516 
           0.07582427       0.36210031       0.09177376 
           0.75263819       0.15247516       0.54609054 
           0.43898682       0.72692110       0.99071268 
           0.03475734       0.26228265       0.14200099 
           0.58224143       0.24268995       0.62806089 
           0.20327639       0.82668863       0.17198140 
           0.66566780       0.31190966       0.80367062 
           0.95433655       0.28311911       0.73083278 
           0.52392123       0.07965600       0.81456055 
   
  
  
           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 
   
  
  
          0.01278611       0.36753918       0.69067230 
          0.81129498       0.32552729       0.09648819 
          0.75235655       0.78175044       0.02609904 
          0.82445559       0.89961424       0.27663901 
          0.63561126       0.47165561       0.73725402 
          0.39341832       0.43349956       0.03575934 
          0.65018277       0.75648577       0.91083156 
          0.76056498       0.56580304       0.86215981 
          0.39991056       0.96508419       0.12053315 
          0.35535348       0.74391766       0.37881113 
          0.41618722       0.06200818       0.87878410 
          0.43958941       0.24130329       0.61919704 
          0.52025053       0.19826014       0.75331866 
          0.44094910       0.62717329       0.35564235 
          0.58333658       0.52025233       0.37728731 
          0.62048136       0.16318847       0.25631617 
          0.15357743       0.49471941       0.69542161 
          0.87548988       0.31561733       0.28696640 
          0.91268637       0.39943553       0.36188693 
          0.66997219       0.94253637       0.50718126 
          0.06234902       0.10030244       0.88026587 
          0.89698826       0.65830494       0.35557737 
          0.13805962       0.58821463       0.33761794 
          0.64412115       0.21271619       0.89363117 
          0.58737372       0.69750038       0.22612918 
          0.26619723       0.74048448       0.58924516 
          0.07582427       0.36210031       0.09177376 
          0.75263819       0.15247516       0.54609054 
          0.43898682       0.72692110       0.99071268 
          0.03475734       0.26228265       0.14200099 
          0.58224143       0.24268995       0.62806089 
          0.20327639       0.82668863       0.17198140 
          0.66566780       0.31190966       0.80367062 
          0.95433655       0.28311911       0.73083278 
          0.52392123       0.07965600       0.81456055 
  
 
 
  
       5.05    5.07
       5.95    5.96
   
         24.76344702 
      -1521.09112230 
      -1750.00489892 
       -291.79558917 
       3170.77911944 
      -2609.61052727 
         -0.01932791 
       -177.89034439 
       3755.32434067 
        600.45509717 
        600.47442508 
        600.46153981 
   
  
  
       6.61    6.62
       6.61    6.62
   
          9.19083554 
          9.19297501 
          9.19154870 
   
  
  
       6.55    6.56
       6.55    6.56
   
        -76.98370379 
        -76.94546862 
        -76.97095874 
   
  
  
       7.12    7.13
       7.12    7.13
   
        -82.10883130 
        -82.07600716 
        -82.09788992 
   
  
  
       7.05    7.06
       7.15    7.16
   
        -82.30127849 
        -82.27086873 
        -82.29114190 
   
  
  
       6.87    6.89
       7.31    7.32
   
        -57.44636062 
        -57.46790482 
        -57.45354202 
   
  
  
       6.78    6.81
       7.17    7.20
   
        -60.99393402 
        -60.98870362 
        -60.99219055 
   
  
  
       6.75    6.79
       7.10    7.15
   
        -52.22706393 
        -52.23631451 
        -52.23014746 
   
  
  
       6.79    6.81
       7.15    7.17
   
        -52.09070069 
        -52.15196351 
        -52.11112163 
   
  
  
       6.40    6.42
       6.76    6.78
   
        -50.59944831 
        -50.63104381 
        -50.60998014 
   
  
  
       6.70    6.73
       7.06    7.09
   
        -50.15486818 
        -50.14831645 
        -50.15268427 
   
  
  
       6.41    6.43
       6.76    6.78
   
        -49.78106989 
        -49.75707333 
        -49.77307104 
   
  
  
       6.51    6.54
       6.87    6.90
   
        -49.76529061 
        -49.74842702 
        -49.75966941 
   
  
  
       6.37    6.40
       6.75    6.78
   
        -49.71553999 
        -49.68481589 
        -49.70529862 
   
  
  
       6.38    6.41
       6.84    6.87
   
        -49.71384976 
        -49.68680475 
        -49.70483476 
   
  
  
       6.62    6.66
       6.98    7.01
   
        -49.71443094 
        -49.68184662 
        -49.70356950 
   
  
  
       6.54    6.57
       6.91    6.93
   
        -49.71486897 
        -49.68482500 
        -49.70485431 
   
  
  
       6.22    6.24
       6.59    6.61
   
        -49.71563592 
        -49.68543268 
        -49.70556817 
   
  
  
       3.87    3.89
       4.24    4.27
   
        -49.71639840 
        -49.68632735 
        -49.70637472