vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  15:35:51 
 
 
  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
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      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 
    
   
   
           0.60481794       0.28075717       0.23615332 
           0.92807959       0.76793988       0.99058312 
           0.36955370       0.16349139       0.12926586 
           0.21602926       0.31232616       0.20283708 
           0.05348944       0.04739685       0.85951322 
           0.22727424       0.91933296       0.05360727 
           0.79193497       0.83662010       0.26121347 
           0.84891128       0.86543680       0.16829373 
           0.08159596       0.54904310       0.22327229 
           0.63814913       0.70155509       0.07888104 
           0.95425051       0.22101791       0.29311733 
           0.12131818       0.12374011       0.23112336 
           0.67742611       0.44319146       0.51691529 
           0.75436436       0.56294002       0.70084468 
           0.78309862       0.48396937       0.84246024 
           0.86964859       0.46202003       0.09467831 
           0.66280410       0.94526804       0.38865626 
           0.47556587       0.13017329       0.43267928 
           0.90596790       0.14481504       0.00730267 
           0.83626461       0.26371066       0.19254217 
           0.11810287       0.76768140       0.42343811 
           0.10009842       0.94132492       0.16390842 
           0.67190975       0.00238718       0.98745835 
           0.06864526       0.55885466       0.76313209 
           0.38970834       0.16223352       0.11881922 
           0.60167419       0.39221664       0.24306859 
           0.54659927       0.24930771       0.79372944 
           0.60884932       0.86835651       0.51673271 
           0.89964181       0.55657929       0.53263480 
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           0.15091919       0.11744310       0.75036032 
           0.61199086       0.54334302       0.90205103 
           0.29126105       0.94924410       0.44735309 
           0.12813936       0.45645976       0.98312769 
   
  
  
           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 
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          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
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    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 
   
  
  
          0.60481794       0.28075717       0.23615332 
          0.92807959       0.76793988       0.99058312 
          0.36955370       0.16349139       0.12926586 
          0.21602926       0.31232616       0.20283708 
          0.05348944       0.04739685       0.85951322 
          0.22727424       0.91933296       0.05360727 
          0.79193497       0.83662010       0.26121347 
          0.84891128       0.86543680       0.16829373 
          0.08159596       0.54904310       0.22327229 
          0.63814913       0.70155509       0.07888104 
          0.95425051       0.22101791       0.29311733 
          0.12131818       0.12374011       0.23112336 
          0.67742611       0.44319146       0.51691529 
          0.75436436       0.56294002       0.70084468 
          0.78309862       0.48396937       0.84246024 
          0.86964859       0.46202003       0.09467831 
          0.66280410       0.94526804       0.38865626 
          0.47556587       0.13017329       0.43267928 
          0.90596790       0.14481504       0.00730267 
          0.83626461       0.26371066       0.19254217 
          0.11810287       0.76768140       0.42343811 
          0.10009842       0.94132492       0.16390842 
          0.67190975       0.00238718       0.98745835 
          0.06864526       0.55885466       0.76313209 
          0.38970834       0.16223352       0.11881922 
          0.60167419       0.39221664       0.24306859 
          0.54659927       0.24930771       0.79372944 
          0.60884932       0.86835651       0.51673271 
          0.89964181       0.55657929       0.53263480 
          0.19702746       0.58320773       0.27515874 
          0.67975423       0.33655254       0.02184202 
          0.15091919       0.11744310       0.75036032 
          0.61199086       0.54334302       0.90205103 
          0.29126105       0.94924410       0.44735309 
          0.12813936       0.45645976       0.98312769 
  
 
 
  
       5.60    5.65
       6.12    6.18
   
         24.76344702 
       -392.24408917 
      -1911.36572202 
       -297.60476628 
       3170.77583059 
      -2609.60722799 
         -0.00286292 
       -144.50663195 
       3755.32434067 
       1595.53231795 
       1595.53518087 
       1595.53327226 
   
  
  
       7.34    7.40
       7.34    7.40
   
        997.13652069 
        997.13965425 
        997.13756521 
   
  
  
       9.12    9.17
       9.12    9.17
   
        852.71936142 
        852.71590566 
        852.71820950 
   
  
  
       8.28    8.33
       8.28    8.33
   
        822.63071858 
        822.55909716 
        822.60684477 
   
  
  
       7.21    7.27
       7.33    7.39
   
        821.86748704 
        821.79921903 
        821.84473104 
   
  
  
       7.68    7.73
       8.23    8.28
   
        823.05949701 
        823.07778592 
        823.06559331 
   
  
  
       8.32    8.39
       8.89    8.96
   
        889.72166062 
        889.67885289 
        889.70739138 
   
  
  
       7.68    7.73
       8.25    8.30
   
        895.47454255 
        895.49252565 
        895.48053691 
   
  
  
       8.50    8.55
       9.10    9.15
   
        893.46427598 
        893.43629509 
        893.45494901 
   
  
  
       8.25    8.31
       8.81    8.87
   
        901.87538610 
        901.88985296 
        901.88020839 
   
  
  
       8.47    8.52
       9.03    9.09
   
        912.21891374 
        912.22895750 
        912.22226166 
   
  
  
       7.62    7.68
       8.18    8.24
   
        908.58613177 
        908.58318481 
        908.58514945 
   
  
  
       7.32    7.37
       7.87    7.94
   
        911.12373999 
        911.09653545 
        911.11467181 
   
  
  
       7.11    7.16
       7.67    7.73
   
        910.57903025 
        910.52506843 
        910.56104298 
   
  
  
       7.60    7.66
       8.17    8.23
   
        908.83103272 
        908.83492593 
        908.83233046 
   
  
  
       8.12    8.18
       8.69    8.75
   
        894.15366780 
        894.13455558 
        894.14729706 
   
  
  
       6.89    6.95
       7.46    7.52
   
        890.20797457 
        890.17778534 
        890.19791150 
   
  
  
       8.40    8.46
       8.97    9.03
   
        889.79715582 
        889.76628055 
        889.78686406 
   
  
  
       8.01    8.07
       8.59    8.64
   
        890.53580433 
        890.50568476 
        890.52576447 
   
  
  
       5.54    5.59
       6.10    6.15
   
        889.98195843 
        889.96154302 
        889.97515329 
   
  
  
       5.19    5.25
       5.74    5.81
   
        889.05247312 
        889.02627489 
        889.04374038 
   
  
  
       4.98    5.04
       5.54    5.61
   
        875.57498666 
        875.54831727 
        875.56609686 
   
  
  
       5.14    5.20
       5.73    5.79
   
        879.13242064 
        879.17748977 
        879.14744368 
   
  
  
       5.58    5.64
       6.16    6.22
   
        887.84763271 
        887.86799116 
        887.85441886 
   
  
  
       5.48    5.55
       6.04    6.11
   
        888.88183874 
        888.90550982 
        888.88972910 
   
  
  
       5.47    5.52
       6.03    6.09
   
        895.35078193 
        895.35004082 
        895.35053489 
   
  
  
       5.68    5.75
       6.24    6.31
   
        898.68595677 
        898.68476739 
        898.68556031 
   
  
  
       5.70    5.76
       6.27    6.34
   
        901.16261583 
        901.16879693 
        901.16467619 
   
  
  
       4.79    4.84
       5.36    5.41
   
        899.93238648 
        899.93919340 
        899.93465545 
   
  
  
       4.43    4.50
       5.00    5.07
   
        900.10004038 
        900.12571232 
        900.10859769 
   
  
  
       4.55    4.61
       5.12    5.18
   
        900.04853741 
        900.08329974 
        900.06012485 
   
  
  
       4.66    4.72
       5.24    5.29
   
        900.15665950 
        900.13273614 
        900.14868505 
   
  
  
       4.50    4.57
       5.08    5.15
   
        912.03442841 
        911.99686460 
        912.02190714 
   
  
  
       5.50    5.55
       6.08    6.13
   
        911.74772212 
        911.70659594 
        911.73401340 
   
  
  
       4.80    4.85
       5.37    5.43
   
        911.09106484 
        911.05355724 
        911.07856230 
   
  
  
       4.57    4.62
       5.15    5.21
   
        906.07199892 
        906.06229983 
        906.06876589 
   
  
  
       5.73    5.78
       6.31    6.36
   
        905.99365331 
        905.98120044 
        905.98950235 
   
  
  
       4.97    5.03
       5.55    5.62
   
        907.01301001 
        907.00238206 
        907.00946736 
   
  
  
       4.96    5.01
       5.56    5.62
   
        907.72554234 
        907.71496963 
        907.72201811 
   
  
  
       4.98    5.03
       5.56    5.62
   
        910.30805378 
        910.28611536 
        910.30074097 
   
  
  
       4.92    4.98
       5.53    5.60
   
        906.66099808 
        906.63151633 
        906.65117083 
   
  
  
       4.10    4.15
       4.69    4.75
   
        905.63786991 
        905.61996858 
        905.63190280 
   
  
  
       3.43    3.50
       4.06    4.14
   
        905.42168991 
        905.40271710 
        905.41536564 
   
  
  
       3.24    3.29
       3.83    3.89
   
        906.33131813 
        906.32725949 
        906.32996525 
   
  
  
       3.47    3.52
       4.04    4.10
   
        908.50623956 
        908.49523071 
        908.50256994 
   
  
  
       3.03    3.08
       3.63    3.68
   
        907.70726470 
        907.69263842 
        907.70238927 
   
  
  
       3.01    3.07
       3.59    3.65
   
        908.15277585 
        908.14568134 
        908.15041101 
   
  
  
       3.99    4.05
       4.58    4.63
   
        908.30781416 
        908.30172565 
        908.30578466 
   
  
  
       2.95    3.00
       3.54    3.59
   
        908.67630901 
        908.65815464 
        908.67025755 
   
  
  
       2.86    2.91
       3.44    3.50
   
        908.59834433 
        908.58937556 
        908.59535474 
   
  
  
       3.12    3.18
       3.70    3.76
   
       1016.33827945 
       1016.33006460 
       1016.33554116 
   
  
  
       3.59    3.64
       4.17    4.23
   
       1003.77972173 
       1003.78948255 
       1003.78297533 
   
  
  
       3.21    3.26
       3.79    3.85
   
       3282.82698232 
       3282.88934822 
       3282.84777096 
   
  
  
       3.37    3.42
       3.96    4.01
   
        999.09961823 
        999.10020855 
        999.09981501 
   
  
  
       3.45    3.50
       4.04    4.09
   
       1249.04113339 
       1249.06236379 
       1249.04821019 
   
  
  
       3.15    3.20
       3.73    3.79
   
       1054.32687306 
       1054.34054008 
       1054.33142873 
   
  
  
       4.00    4.06
       4.58    4.64
   
      -1256.04312501 
      -1256.10058365 
      -1256.06227789 
   
  
  
       3.45    3.51
       4.03    4.08
   
       1039.72916569 
       1039.68030833 
       1039.71287990 
   
  
  
       1.84    1.89
       2.45    2.51
   
       1079.27138052 
       1079.22309844 
       1079.25528649 
   
  
  
       2.07    2.12
       2.68    2.73
   
       1032.41432981 
       1032.44089822 
       1032.42318595 
   
  
  
       2.45    2.50
       2.99    3.04
   
      -2632.36229017 
      -2632.38693538 
      -2632.37050524 
   
  
  
       2.54    2.59
       3.07    3.12
   
     -62130.78501815 
     -62130.78456134 
     -62130.78486588 
   
  
  
       2.30    2.34
       2.83    2.88
   
    -429830.24883681 
    -429830.22701647 
    -429830.24156337