vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  13:21:50 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.32000000
        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      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
  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 
    
   
   
           0.04896193       0.91224450       0.19369699 
           0.96821940       0.99124463       0.04039571 
           0.55755319       0.15076517       0.37168740 
           0.61624390       0.32013899       0.62709120 
           0.30268549       0.98054186       0.74499393 
           0.07830720       0.91813317       0.17197733 
           0.22390282       0.13909501       0.99553449 
           0.10646915       0.77988299       0.43843232 
           0.88280501       0.59593432       0.54984088 
           0.72069363       0.87234565       0.96807856 
           0.53734589       0.49958993       0.43498489 
           0.52903843       0.77915123       0.72275339 
           0.96963443       0.93956264       0.79293922 
           0.68379399       0.48069225       0.99537285 
           0.70792515       0.60230413       0.57916798 
           0.37463421       0.00526138       0.11118030 
           0.03516380       0.81696326       0.80924861 
           0.62131342       0.87004392       0.61539773 
           0.01515384       0.08249814       0.56159829 
           0.25256392       0.35878111       0.31254751 
           0.23656280       0.66726669       0.47413176 
           0.85818580       0.71180090       0.15926867 
           0.82769736       0.50801713       0.89912892 
           0.19205253       0.71528681       0.06447729 
           0.90078285       0.27009252       0.74008977 
           0.70631205       0.61779194       0.24322466 
           0.99872091       0.46597288       0.77056395 
           0.33446545       0.87756669       0.52597269 
           0.40352034       0.51600907       0.84703012 
           0.20467796       0.73903129       0.92998621 
           0.54859406       0.05162667       0.48611177 
           0.50157242       0.52576334       0.02204149 
           0.87108451       0.28993900       0.98405160 
           0.27480657       0.21571221       0.74818347 
           0.77882480       0.04432358       0.74136186 
   
  
  
           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
       88
       -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
   
   
         2
     F  
          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      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
         -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      0.73000000      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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000      1.00000000
         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
    O    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           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 
   
  
  
          0.04896193       0.91224450       0.19369699 
          0.96821940       0.99124463       0.04039571 
          0.55755319       0.15076517       0.37168740 
          0.61624390       0.32013899       0.62709120 
          0.30268549       0.98054186       0.74499393 
          0.07830720       0.91813317       0.17197733 
          0.22390282       0.13909501       0.99553449 
          0.10646915       0.77988299       0.43843232 
          0.88280501       0.59593432       0.54984088 
          0.72069363       0.87234565       0.96807856 
          0.53734589       0.49958993       0.43498489 
          0.52903843       0.77915123       0.72275339 
          0.96963443       0.93956264       0.79293922 
          0.68379399       0.48069225       0.99537285 
          0.70792515       0.60230413       0.57916798 
          0.37463421       0.00526138       0.11118030 
          0.03516380       0.81696326       0.80924861 
          0.62131342       0.87004392       0.61539773 
          0.01515384       0.08249814       0.56159829 
          0.25256392       0.35878111       0.31254751 
          0.23656280       0.66726669       0.47413176 
          0.85818580       0.71180090       0.15926867 
          0.82769736       0.50801713       0.89912892 
          0.19205253       0.71528681       0.06447729 
          0.90078285       0.27009252       0.74008977 
          0.70631205       0.61779194       0.24322466 
          0.99872091       0.46597288       0.77056395 
          0.33446545       0.87756669       0.52597269 
          0.40352034       0.51600907       0.84703012 
          0.20467796       0.73903129       0.92998621 
          0.54859406       0.05162667       0.48611177 
          0.50157242       0.52576334       0.02204149 
          0.87108451       0.28993900       0.98405160 
          0.27480657       0.21571221       0.74818347 
          0.77882480       0.04432358       0.74136186 
  
 
 
  
       6.09    6.15
       6.59    6.64
   
         24.76344702 
      -1322.81984111 
      -1586.40799581 
       -301.30287441 
       3170.77583059 
      -2609.60722799 
          0.01016427 
       -147.60711791 
       3755.32434067 
        983.12872533 
        983.11856106 
        983.12533724 
   
  
  
       7.58    7.64
       7.58    7.64
   
        443.38846295 
        443.38634135 
        443.38775575 
   
  
  
       8.90    8.95
       8.90    8.95
   
        336.88798971 
        336.87889904 
        336.88495948 
   
  
  
       8.88    8.94
       8.88    8.94
   
        318.60999890 
        318.60076729 
        318.60692170 
   
  
  
       7.57    7.64
       7.69    7.77
   
        317.97037842 
        317.96178661 
        317.96751448 
   
  
  
       8.77    8.83
       9.35    9.41
   
        299.10073022 
        299.12491589 
        299.10879211 
   
  
  
       8.52    8.59
       9.09    9.16
   
        344.35187947 
        344.38947286 
        344.36441060 
   
  
  
       8.18    8.23
       8.74    8.79
   
        352.63837972 
        352.66934309 
        352.64870085 
   
  
  
       8.30    8.35
       8.87    8.92
   
        360.96840999 
        361.00534340 
        360.98072113 
   
  
  
       7.20    7.26
       7.76    7.82
   
        357.59356664 
        357.61704586 
        357.60139305 
   
  
  
       7.51    7.57
       8.08    8.14
   
        359.45146359 
        359.43089027 
        359.44460582 
   
  
  
       7.85    7.92
       8.41    8.48
   
        362.22726033 
        362.23784894 
        362.23078987 
   
  
  
       8.23    8.29
       8.79    8.85
   
        365.88066807 
        365.88349931 
        365.88161182 
   
  
  
       7.41    7.46
       7.97    8.02
   
        363.88758167 
        363.96397069 
        363.91304468 
   
  
  
       7.98    8.04
       8.54    8.61
   
        370.86200332 
        370.86396875 
        370.86265846 
   
  
  
       8.42    8.49
       8.97    9.04
   
        377.15169695 
        377.16213377 
        377.15517589 
   
  
  
       9.15    9.20
       9.71    9.77
   
        380.50309420 
        380.51835917 
        380.50818252 
   
  
  
       8.17    8.23
       8.74    8.80
   
        380.15302962 
        380.16969862 
        380.15858595 
   
  
  
       7.69    7.75
       8.26    8.32
   
        380.31206238 
        380.31282773 
        380.31231749 
   
  
  
       9.19    9.25
       9.76    9.83
   
        379.96592215 
        379.94270822 
        379.95818418 
   
  
  
       7.95    8.01
       8.52    8.59
   
        379.86546891 
        379.82261679 
        379.85118487 
   
  
  
       6.57    6.63
       7.15    7.20
   
        379.90217408 
        379.86039551 
        379.88824789 
   
  
  
       8.02    8.07
       8.59    8.65
   
        380.02040117 
        380.01092859 
        380.01724364 
   
  
  
       8.56    8.63
       9.13    9.20
   
        380.16591643 
        380.15163007 
        380.16115431 
   
  
  
       8.23    8.29
       8.80    8.86
   
        377.74856670 
        377.68880768 
        377.72864703 
   
  
  
       7.51    7.58
       8.10    8.17
   
        379.56040950 
        379.49093242 
        379.53725048 
   
  
  
       7.60    7.65
       8.17    8.23
   
        379.74355438 
        379.67166350 
        379.71959075 
   
  
  
       5.80    5.87
       6.42    6.49
   
        380.08678508 
        380.00920795 
        380.06092604 
   
  
  
       6.43    6.48
       7.02    7.08
   
        380.90115135 
        380.85990575 
        380.88740282 
   
  
  
       5.27    5.34
       5.83    5.90
   
        381.00202562 
        380.96536102 
        380.98980409 
   
  
  
       6.18    6.23
       6.76    6.82
   
        380.82418387 
        380.76919033 
        380.80585269 
   
  
  
       4.80    4.86
       5.38    5.44
   
        380.93507003 
        380.87860789 
        380.91624932 
   
  
  
       5.76    5.82
       6.34    6.41
   
        380.82983266 
        380.77352712 
        380.81106415 
   
  
  
       5.99    6.04
       6.57    6.62
   
        380.89167022 
        380.84197063 
        380.87510369 
   
  
  
       6.10    6.16
       6.67    6.74
   
        381.06685283 
        381.01462273 
        381.04944280 
   
  
  
       6.33    6.38
       6.92    6.98
   
        381.66081526 
        381.61987592 
        381.64716882 
   
  
  
       5.62    5.67
       6.20    6.26
   
        381.02877851 
        380.98448647 
        381.01401450 
   
  
  
       6.14    6.20
       6.73    6.80
   
        389.14648430 
        389.09523759 
        389.12940206 
   
  
  
       5.43    5.49
       6.03    6.09
   
        403.22449116 
        403.19918947 
        403.21605726 
   
  
  
       5.02    5.08
       5.62    5.68
   
        402.14542288 
        402.12336843 
        402.13807139 
   
  
  
       5.46    5.52
       6.07    6.13
   
        408.56158958 
        408.53588160 
        408.55302026 
   
  
  
       6.10    6.15
       6.71    6.76
   
        407.70931809 
        407.68237404 
        407.70033674 
   
  
  
       6.47    6.53
       7.07    7.14
   
        407.56982475 
        407.54272577 
        407.56079175