vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  04:51:59 
 
 
  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 
    
   
   
           0.62468459       0.40055572       0.49788011 
           0.05755417       0.27856892       0.75561366 
           0.82195978       0.69888696       0.80283780 
           0.88707324       0.04851342       0.36352780 
           0.28387195       0.40504172       0.97945131 
           0.26907518       0.52977427       0.93727260 
           0.13131070       0.92806267       0.13472298 
           0.97623231       0.03675728       0.60580663 
           0.00817439       0.72266888       0.84831841 
           0.06723593       0.06303735       0.96296235 
           0.10273187       0.98674476       0.03848805 
           0.13971332       0.65831095       0.99545730 
           0.48746903       0.27432396       0.34979902 
           0.50036791       0.70907144       0.67896176 
           0.60929592       0.42757366       0.75056553 
           0.87159613       0.14955930       0.92812999 
           0.39377225       0.74742713       0.11917789 
           0.27589219       0.77433760       0.60389386 
           0.05700590       0.97544679       0.70978611 
           0.44835174       0.11523120       0.29045909 
           0.72998852       0.69400692       0.44981412 
           0.10574345       0.66608783       0.78567288 
           0.52784283       0.97729961       0.65437667 
           0.60453204       0.83532950       0.48500385 
           0.96769509       0.13263987       0.29120629 
           0.96178232       0.30862958       0.50523412 
           0.58590389       0.87310513       0.15867285 
           0.55266765       0.71582859       0.97488651 
           0.85188428       0.69435601       0.23564232 
           0.57303501       0.05530899       0.26229271 
           0.48527998       0.43852921       0.45961730 
           0.94732732       0.05213317       0.59266222 
           0.39384752       0.98003642       0.85856899 
           0.84283615       0.88249695       0.48668051 
           0.95038270       0.14695909       0.98884489 
   
  
  
           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 
   
  
  
          0.62468459       0.40055572       0.49788011 
          0.05755417       0.27856892       0.75561366 
          0.82195978       0.69888696       0.80283780 
          0.88707324       0.04851342       0.36352780 
          0.28387195       0.40504172       0.97945131 
          0.26907518       0.52977427       0.93727260 
          0.13131070       0.92806267       0.13472298 
          0.97623231       0.03675728       0.60580663 
          0.00817439       0.72266888       0.84831841 
          0.06723593       0.06303735       0.96296235 
          0.10273187       0.98674476       0.03848805 
          0.13971332       0.65831095       0.99545730 
          0.48746903       0.27432396       0.34979902 
          0.50036791       0.70907144       0.67896176 
          0.60929592       0.42757366       0.75056553 
          0.87159613       0.14955930       0.92812999 
          0.39377225       0.74742713       0.11917789 
          0.27589219       0.77433760       0.60389386 
          0.05700590       0.97544679       0.70978611 
          0.44835174       0.11523120       0.29045909 
          0.72998852       0.69400692       0.44981412 
          0.10574345       0.66608783       0.78567288 
          0.52784283       0.97729961       0.65437667 
          0.60453204       0.83532950       0.48500385 
          0.96769509       0.13263987       0.29120629 
          0.96178232       0.30862958       0.50523412 
          0.58590389       0.87310513       0.15867285 
          0.55266765       0.71582859       0.97488651 
          0.85188428       0.69435601       0.23564232 
          0.57303501       0.05530899       0.26229271 
          0.48527998       0.43852921       0.45961730 
          0.94732732       0.05213317       0.59266222 
          0.39384752       0.98003642       0.85856899 
          0.84283615       0.88249695       0.48668051 
          0.95038270       0.14695909       0.98884489 
  
 
 
  
       6.01    6.07
       6.56    6.62
   
         24.76344702 
       -779.93951876 
      -2114.20824518 
       -295.26256659 
       3170.77583059 
      -2609.60722799 
          0.00252966 
       -181.54212625 
       3755.32434067 
        970.30646319 
        970.30393353 
        970.30561997 
   
  
  
       7.38    7.43
       7.38    7.43
   
        380.18545328 
        380.17197312 
        380.18095989 
   
  
  
       8.96    9.02
       8.97    9.02
   
        262.44248799 
        262.46429652 
        262.44975750 
   
  
  
       8.54    8.59
       8.54    8.60
   
        247.07863615 
        247.08256662 
        247.07994630 
   
  
  
       7.71    7.77
       7.84    7.90
   
        246.68035926 
        246.68709705 
        246.68260519 
   
  
  
       8.94    9.00
       9.50    9.56
   
        216.26587871 
        216.29207867 
        216.27461203 
   
  
  
       9.34    9.40
       9.92    9.99
   
        230.92050588 
        230.91704703 
        230.91935293 
   
  
  
       7.46    7.53
       8.02    8.10
   
        300.69819832 
        300.67705772 
        300.69115145 
   
  
  
       7.54    7.59
       8.09    8.14
   
        291.66312947 
        291.68399241 
        291.67008378 
   
  
  
       7.38    7.43
       7.94    8.00
   
        290.14794263 
        290.11864527 
        290.13817684 
   
  
  
       7.61    7.68
       8.20    8.28
   
        300.61916064 
        300.65456231 
        300.63096120 
   
  
  
       7.85    7.91
       8.42    8.49
   
        303.33332143 
        303.34197858 
        303.33620715 
   
  
  
       7.82    7.87
       8.39    8.45
   
        294.51107029 
        294.51090584 
        294.51101548 
   
  
  
       7.91    7.96
       8.47    8.53
   
        287.68780625 
        287.69423930 
        287.68995060 
   
  
  
       8.20    8.26
       8.78    8.84
   
        285.64213544 
        285.64157006 
        285.64194698 
   
  
  
       8.02    8.07
       8.60    8.65
   
        281.81308984 
        281.81055014 
        281.81224327 
   
  
  
       7.05    7.10
       7.61    7.67
   
        285.45730494 
        285.47457607 
        285.46306198 
   
  
  
       7.47    7.53
       8.04    8.10
   
        284.94078890 
        284.94272038 
        284.94143273 
   
  
  
       7.08    7.14
       7.64    7.71
   
        288.65617028 
        288.64714830 
        288.65316296 
   
  
  
       7.78    7.84
       8.35    8.40
   
        291.97625555 
        291.96833671 
        291.97361594 
   
  
  
       7.73    7.79
       8.30    8.36
   
        291.97025024 
        291.96238064 
        291.96762704 
   
  
  
       7.96    8.01
       8.53    8.58
   
        293.06070014 
        293.05680831 
        293.05940286 
   
  
  
       7.67    7.73
       8.26    8.32
   
        295.19565642 
        295.19721277 
        295.19617520 
   
  
  
       7.91    7.98
       8.51    8.58
   
        295.66652909 
        295.66820686 
        295.66708835 
   
  
  
       7.06    7.11
       7.63    7.69
   
        295.56181262 
        295.56191032 
        295.56184519 
   
  
  
       6.73    6.79
       7.31    7.37
   
        296.87313466 
        296.86846084 
        296.87157672 
   
  
  
       6.98    7.04
       7.55    7.62
   
        305.66270731 
        305.66276211 
        305.66272557 
   
  
  
       7.98    8.05
       8.57    8.65
   
        308.73289052 
        308.74397080 
        308.73658394 
   
  
  
       7.74    7.80
       8.32    8.38
   
        308.71130004 
        308.72102102 
        308.71454037 
   
  
  
       6.99    7.05
       7.58    7.64
   
        307.82503013 
        307.83176901 
        307.82727642 
   
  
  
       7.15    7.22
       7.74    7.81
   
        308.54885901 
        308.55796261 
        308.55189355 
   
  
  
       7.86    7.92
       8.45    8.51
   
        308.85544037 
        308.86510794 
        308.85866289 
   
  
  
       7.13    7.20
       7.71    7.78
   
        308.74847955 
        308.75473691 
        308.75056534 
   
  
  
       7.05    7.12
       7.64    7.72
   
        309.25496638 
        309.26602845 
        309.25865374 
   
  
  
       6.74    6.79
       7.35    7.41
   
        309.21149232 
        309.22306036 
        309.21534833 
   
  
  
       7.00    7.07
       7.65    7.72
   
        309.31097717 
        309.32064988 
        309.31420141 
   
  
  
       6.29    6.34
       6.94    6.99
   
        309.81137204 
        309.81992546 
        309.81422318 
   
  
  
       6.05    6.12
       6.66    6.72
   
        309.60427134 
        309.61450114 
        309.60768127 
   
  
  
       5.07    5.13
       5.69    5.75
   
        310.39149950 
        310.40392744 
        310.39564215 
   
  
  
       5.69    5.75
       6.35    6.41
   
        311.52786250 
        311.55712343 
        311.53761614 
   
  
  
       5.70    5.75
       6.30    6.35
   
        311.78057535 
        311.81399751 
        311.79171607 
   
  
  
       3.67    3.73
       4.31    4.37
   
        311.69390853 
        311.72674952 
        311.70485553 
   
  
  
       3.68    3.75
       4.27    4.34
   
        311.87304286 
        311.90754594 
        311.88454389 
   
  
  
       3.32    3.37
       3.90    3.95
   
        312.59071559 
        312.62004440 
        312.60049186 
   
  
  
       3.17    3.22
       3.75    3.80
   
        312.79457497 
        312.82792319 
        312.80569104 
   
  
  
       2.99    3.03
       3.57    3.62
   
        312.69655977 
        312.72709015 
        312.70673656 
   
  
  
       2.97    3.02
       3.55    3.60
   
        312.75535950 
        312.78895622 
        312.76655841 
   
  
  
       3.12    3.17
       3.70    3.76
   
        312.73803662 
        312.77106198 
        312.74904508 
   
  
  
       3.30    3.36
       3.89    3.95
   
        312.69578894 
        312.72924149 
        312.70693979 
   
  
  
       3.39    3.44
       3.97    4.03
   
        312.69659219 
        312.73059085 
        312.70792508 
   
  
  
       3.49    3.54
       4.07    4.13
   
        353.46558754 
        353.46673651 
        353.46597053 
   
  
  
       3.09    3.14
       3.67    3.73
   
        371.57337015 
        371.58493776 
        371.57722602 
   
  
  
       4.44    4.49
       5.03    5.09
   
        364.38467340 
        364.39317720 
        364.38750800 
   
  
  
       3.19    3.25
       3.78    3.84
   
        341.59867671 
        341.59849481 
        341.59861608