vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  13:52:45 
 
 
  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 
    
   
   
           0.50702124       0.48729691       0.71272775 
           0.87545761       0.85675156       0.05270549 
           0.05707810       0.35564429       0.60233764 
           0.58968523       0.46333224       0.21389541 
           0.43960845       0.37123894       0.31588229 
           0.25929691       0.83309276       0.72290150 
           0.57220207       0.54763332       0.31149997 
           0.85684869       0.10630916       0.21213005 
           0.56110820       0.47499010       0.15412023 
           0.69181199       0.25993881       0.27611750 
           0.99679044       0.09472486       0.55853572 
           0.14958411       0.34730313       0.08973645 
           0.50031658       0.12812067       0.37829715 
           0.08952508       0.90802371       0.75250359 
           0.77286205       0.23314498       0.88695055 
           0.24649254       0.15855671       0.19230346 
           0.64389434       0.56753652       0.96321749 
           0.44454975       0.90134896       0.02613041 
           0.62458658       0.61940798       0.63195275 
           0.39735283       0.14282283       0.95943703 
           0.27927498       0.61200843       0.20357917 
           0.05224911       0.11951902       0.75163669 
           0.54687173       0.29549847       0.64595061 
           0.82126039       0.76571995       0.07789599 
           0.57424527       0.34885282       0.99842660 
           0.14190240       0.72510304       0.66911086 
           0.44829841       0.27303201       0.18061464 
           0.16373344       0.02878546       0.63050231 
           0.60850698       0.63041471       0.64869594 
           0.14980731       0.38690369       0.64835914 
           0.70509778       0.50542165       0.19429552 
           0.71687515       0.62100551       0.32481125 
           0.62847596       0.18560018       0.49676209 
           0.51844553       0.99527874       0.68745050 
           0.86845578       0.27149585       0.05027182 
   
  
  
           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 
   
  
  
          0.50702124       0.48729691       0.71272775 
          0.87545761       0.85675156       0.05270549 
          0.05707810       0.35564429       0.60233764 
          0.58968523       0.46333224       0.21389541 
          0.43960845       0.37123894       0.31588229 
          0.25929691       0.83309276       0.72290150 
          0.57220207       0.54763332       0.31149997 
          0.85684869       0.10630916       0.21213005 
          0.56110820       0.47499010       0.15412023 
          0.69181199       0.25993881       0.27611750 
          0.99679044       0.09472486       0.55853572 
          0.14958411       0.34730313       0.08973645 
          0.50031658       0.12812067       0.37829715 
          0.08952508       0.90802371       0.75250359 
          0.77286205       0.23314498       0.88695055 
          0.24649254       0.15855671       0.19230346 
          0.64389434       0.56753652       0.96321749 
          0.44454975       0.90134896       0.02613041 
          0.62458658       0.61940798       0.63195275 
          0.39735283       0.14282283       0.95943703 
          0.27927498       0.61200843       0.20357917 
          0.05224911       0.11951902       0.75163669 
          0.54687173       0.29549847       0.64595061 
          0.82126039       0.76571995       0.07789599 
          0.57424527       0.34885282       0.99842660 
          0.14190240       0.72510304       0.66911086 
          0.44829841       0.27303201       0.18061464 
          0.16373344       0.02878546       0.63050231 
          0.60850698       0.63041471       0.64869594 
          0.14980731       0.38690369       0.64835914 
          0.70509778       0.50542165       0.19429552 
          0.71687515       0.62100551       0.32481125 
          0.62847596       0.18560018       0.49676209 
          0.51844553       0.99527874       0.68745050 
          0.86845578       0.27149585       0.05027182 
  
 
 
  
       5.94    5.99
       6.50    6.55
   
         24.76344702 
       -276.72099293 
      -2249.76544528 
       -298.27984757 
       3170.77583059 
      -2609.60722799 
         -0.00758895 
       -171.74753896 
       3755.32434067 
       1344.73497660 
       1344.74256555 
       1344.73750625 
   
  
  
       7.56    7.62
       7.56    7.62
   
        728.34469388 
        728.34799681 
        728.34579486 
   
  
  
       9.62    9.67
       9.62    9.67
   
        570.75632706 
        570.75252498 
        570.75505970 
   
  
  
       8.34    8.40
       8.35    8.40
   
        541.17907766 
        541.17920269 
        541.17911934 
   
  
  
       7.63    7.69
       7.74    7.80
   
        539.40520061 
        539.40506935 
        539.40515686 
   
  
  
       8.98    9.05
       9.56    9.63
   
        491.46361279 
        491.46466587 
        491.46396382 
   
  
  
       8.95    9.00
       9.51    9.56
   
        593.04646949 
        593.06365475 
        593.05219791 
   
  
  
       7.99    8.04
       8.55    8.60
   
        655.45306874 
        655.50623556 
        655.47079101 
   
  
  
       7.81    7.88
       8.37    8.44
   
        639.22251955 
        639.23795852 
        639.22766587 
   
  
  
       7.91    7.97
       8.48    8.54
   
        580.04982554 
        580.00344953 
        580.03436687 
   
  
  
       7.18    7.24
       7.74    7.80
   
        559.89269851 
        559.86740908 
        559.88426870 
   
  
  
       8.04    8.09
       8.60    8.65
   
        639.69755478 
        639.71313876 
        639.70274944 
   
  
  
       7.89    7.94
       8.45    8.51
   
        636.86037503 
        636.79699417 
        636.83924807 
   
  
  
       7.43    7.48
       8.00    8.06
   
        636.86607777 
        636.88340608 
        636.87185387 
   
  
  
       8.17    8.23
       8.73    8.79
   
        639.01618725 
        639.03890544 
        639.02375998 
   
  
  
       7.48    7.55
       8.05    8.12
   
        639.29528475 
        639.29805851 
        639.29620934 
   
  
  
       8.41    8.46
       8.98    9.04
   
        638.72261118 
        638.73457131 
        638.72659789 
   
  
  
       8.08    8.13
       8.64    8.70
   
        638.97526143 
        639.01701534 
        638.98917940 
   
  
  
       6.82    6.88
       7.38    7.44
   
        639.04736627 
        639.08162578 
        639.05878611 
   
  
  
       8.83    8.89
       9.40    9.47
   
        639.42336033 
        639.45883206 
        639.43518424 
   
  
  
       6.68    6.75
       7.25    7.32
   
        639.40010532 
        639.43742426 
        639.41254497 
   
  
  
       7.78    7.85
       8.35    8.42
   
        640.46647161 
        640.49077540 
        640.47457287 
   
  
  
       7.25    7.31
       7.85    7.92
   
        641.91454628 
        641.93953345 
        641.92287534 
   
  
  
       7.58    7.64
       8.23    8.29
   
        644.53641653 
        644.57324593 
        644.54869300 
   
  
  
       7.21    7.27
       7.78    7.85
   
        645.56227797 
        645.58849471 
        645.57101688 
   
  
  
       6.56    6.63
       7.14    7.21
   
        645.20305681 
        645.24715028 
        645.21775463 
   
  
  
       6.71    6.78
       7.30    7.38
   
        644.53009245 
        644.53524844 
        644.53181111 
   
  
  
       7.18    7.23
       7.77    7.83
   
        644.47020608 
        644.47447211 
        644.47162809 
   
  
  
       7.07    7.15
       7.65    7.74
   
        643.64780316 
        643.68147735 
        643.65902789 
   
  
  
       7.67    7.74
       8.25    8.32
   
        642.99445098 
        643.04576369 
        643.01155522 
   
  
  
       6.55    6.60
       7.14    7.19
   
        644.89129403 
        644.89165685 
        644.89141497 
   
  
  
       7.31    7.37
       7.92    7.98
   
        644.95220460 
        644.94895429 
        644.95112116 
   
  
  
       5.01    5.08
       5.66    5.73
   
        646.35401883 
        646.35393328 
        646.35399032 
   
  
  
       5.25    5.31
       5.82    5.89
   
        646.01933192 
        646.02005494 
        646.01957293 
   
  
  
       5.51    5.57
       6.09    6.16
   
        644.79484471 
        644.80587671 
        644.79852204 
   
  
  
       5.29    5.35
       5.87    5.94
   
        644.26963707 
        644.29457917 
        644.27795110 
   
  
  
       5.99    6.04
       6.57    6.63
   
        644.67217814 
        644.69954411 
        644.68130013 
   
  
  
       3.91    3.96
       4.52    4.58
   
        644.70304046 
        644.73361585 
        644.71323225 
   
  
  
       3.97    4.02
       4.61    4.67
   
        644.69164616 
        644.74225670 
        644.70851634 
   
  
  
       3.60    3.66
       4.18    4.23
   
        643.93661583 
        643.97560818 
        643.94961328 
   
  
  
       3.96    4.01
       4.52    4.57
   
        643.97331906 
        644.01404666 
        643.98689492 
   
  
  
       4.13    4.18
       4.71    4.77
   
        643.90976738 
        643.94960503 
        643.92304660 
   
  
  
       3.21    3.26
       3.78    3.84
   
        644.03081571 
        644.06178420 
        644.04113854 
   
  
  
       3.52    3.57
       4.10    4.15
   
        644.42496735 
        644.45383172 
        644.43458880 
   
  
  
       3.70    3.76
       4.28    4.34
   
        644.79189066 
        644.81077537 
        644.79818557 
   
  
  
       1.98    2.03
       2.58    2.63
   
        645.01053229 
        645.03235019 
        645.01780493 
   
  
  
       2.36    2.41
       2.96    3.01
   
        645.01043490 
        645.03281739 
        645.01789573 
   
  
  
       2.08    2.13
       2.64    2.69
   
        644.97864051 
        645.00207965 
        644.98645355 
   
  
  
       1.91    1.95
       2.45    2.50
   
        645.05123304 
        645.07873226 
        645.06039944 
   
  
  
       1.98    2.03
       2.52    2.56
   
        644.93604178 
        644.96388544 
        644.94532300 
   
  
  
       2.16    2.20
       2.69    2.73
   
        458.45170082 
        458.48361256 
        458.46233807 
   
  
  
       2.15    2.20
       2.68    2.73
   
        762.13009402 
        762.16160204 
        762.14059669 
   
  
  
       2.22    2.26
       2.75    2.80
   
        748.00427532 
        747.99423202 
        748.00092755 
   
  
  
       2.22    2.26
       2.75    2.80
   
        729.41273412 
        729.40161979 
        729.40902934 
   
  
  
       2.51    2.55
       3.04    3.09
   
        725.65133193 
        725.65222907 
        725.65163098 
   
  
  
       2.15    2.20
       2.68    2.73
   
        691.63714436 
        691.66339510 
        691.64589461 
   
  
  
       2.20    2.25
       2.73    2.78
   
        716.51546928 
        716.52190453 
        716.51761437