vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  07:58:35 
 
 
  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 
    
   
   
           0.87725104       0.05107548       0.15653040 
           0.05208872       0.41287415       0.55092291 
           0.31939808       0.03642066       0.82836073 
           0.10474684       0.42166399       0.17865443 
           0.20201346       0.11721280       0.83968221 
           0.08435167       0.24564666       0.63040431 
           0.94912864       0.30326815       0.75979066 
           0.27664607       0.42532239       0.21847771 
           0.41586263       0.57325777       0.69152255 
           0.76240447       0.27703037       0.56436860 
           0.48883222       0.36906274       0.33001901 
           0.95586153       0.05221273       0.98877304 
           0.17738838       0.77227890       0.11179768 
           0.67986810       0.12356171       0.19219379 
           0.78917887       0.80149848       0.31147910 
           0.36821673       0.79042203       0.56501006 
           0.61699864       0.71199540       0.55696847 
           0.11079961       0.21445854       0.42860096 
           0.46463207       0.61262333       0.02341283 
           0.32449093       0.03161973       0.79425104 
           0.34410049       0.85077515       0.60646436 
           0.29783483       0.88375938       0.83620136 
           0.79338208       0.37913797       0.58096918 
           0.02362342       0.99092843       0.28088515 
           0.09882502       0.56344973       0.81334932 
           0.64459744       0.27933551       0.78957804 
           0.34769512       0.59631768       0.94631840 
           0.72076159       0.35082006       0.03349568 
           0.43392968       0.23704522       0.32347319 
           0.25371076       0.56885303       0.47793833 
           0.08034784       0.58080268       0.30006110 
           0.71330724       0.12878710       0.57324958 
           0.44594353       0.63736998       0.59920062 
           0.26280496       0.55452085       0.57641735 
           0.29014212       0.01160722       0.59683195 
   
  
  
           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 
   
  
  
          0.87725104       0.05107548       0.15653040 
          0.05208872       0.41287415       0.55092291 
          0.31939808       0.03642066       0.82836073 
          0.10474684       0.42166399       0.17865443 
          0.20201346       0.11721280       0.83968221 
          0.08435167       0.24564666       0.63040431 
          0.94912864       0.30326815       0.75979066 
          0.27664607       0.42532239       0.21847771 
          0.41586263       0.57325777       0.69152255 
          0.76240447       0.27703037       0.56436860 
          0.48883222       0.36906274       0.33001901 
          0.95586153       0.05221273       0.98877304 
          0.17738838       0.77227890       0.11179768 
          0.67986810       0.12356171       0.19219379 
          0.78917887       0.80149848       0.31147910 
          0.36821673       0.79042203       0.56501006 
          0.61699864       0.71199540       0.55696847 
          0.11079961       0.21445854       0.42860096 
          0.46463207       0.61262333       0.02341283 
          0.32449093       0.03161973       0.79425104 
          0.34410049       0.85077515       0.60646436 
          0.29783483       0.88375938       0.83620136 
          0.79338208       0.37913797       0.58096918 
          0.02362342       0.99092843       0.28088515 
          0.09882502       0.56344973       0.81334932 
          0.64459744       0.27933551       0.78957804 
          0.34769512       0.59631768       0.94631840 
          0.72076159       0.35082006       0.03349568 
          0.43392968       0.23704522       0.32347319 
          0.25371076       0.56885303       0.47793833 
          0.08034784       0.58080268       0.30006110 
          0.71330724       0.12878710       0.57324958 
          0.44594353       0.63736998       0.59920062 
          0.26280496       0.55452085       0.57641735 
          0.29014212       0.01160722       0.59683195 
  
 
 
  
       6.10    6.15
       6.57    6.63
   
         24.76344702 
      -1061.49818581 
      -1792.17127134 
       -294.24833399 
       3170.77583059 
      -2609.60722799 
         -0.01994859 
       -177.81713925 
       3755.32434067 
       1015.50151133 
       1015.52145992 
       1015.50816086 
   
  
  
       7.63    7.68
       7.63    7.68
   
        406.88800595 
        406.89081943 
        406.88894378 
   
  
  
       9.33    9.39
       9.33    9.39
   
        287.53882677 
        287.56008961 
        287.54591438 
   
  
  
       8.50    8.56
       8.50    8.56
   
        275.13665663 
        275.12873346 
        275.13401557 
   
  
  
       7.85    7.91
       7.97    8.03
   
        274.71542907 
        274.70487839 
        274.71191217 
   
  
  
       8.47    8.52
       9.05    9.11
   
        295.74693648 
        295.73301185 
        295.74229493 
   
  
  
       8.86    8.92
       9.42    9.48
   
        303.90677696 
        303.88819571 
        303.90058321 
   
  
  
       7.84    7.90
       8.41    8.47
   
        338.80399101 
        338.82488564 
        338.81095589 
   
  
  
       8.05    8.11
       8.61    8.68
   
        331.54929736 
        331.53516602 
        331.54458691 
   
  
  
       7.65    7.71
       8.22    8.28
   
        330.86618613 
        330.87694400 
        330.86977209 
   
  
  
       7.72    7.78
       8.28    8.34
   
        329.65941987 
        329.67917125 
        329.66600366 
   
  
  
       7.39    7.44
       7.95    8.01
   
        330.07037799 
        330.07717936 
        330.07264511 
   
  
  
       7.07    7.16
       7.65    7.74
   
        319.84139943 
        319.83077646 
        319.83785844 
   
  
  
       7.53    7.58
       8.09    8.15
   
        318.43889964 
        318.44963703 
        318.44247877 
   
  
  
       7.20    7.26
       7.76    7.83
   
        330.10407049 
        330.08307505 
        330.09707201 
   
  
  
       7.54    7.60
       8.11    8.17
   
        335.34260679 
        335.33059334 
        335.33860231 
   
  
  
       7.34    7.40
       7.91    7.97
   
        340.37340358 
        340.34085324 
        340.36255347 
   
  
  
       7.36    7.42
       7.95    8.01
   
        348.90845569 
        348.89805815 
        348.90498984 
   
  
  
       8.04    8.09
       8.61    8.67
   
        351.60018055 
        351.58858189 
        351.59631433 
   
  
  
       7.00    7.05
       7.58    7.64
   
        348.35016967 
        348.33385244 
        348.34473059 
   
  
  
       6.69    6.75
       7.26    7.32
   
        349.58099914 
        349.55982859 
        349.57394229 
   
  
  
       6.16    6.22
       6.74    6.80
   
        343.86340245 
        343.84862011 
        343.85847500 
   
  
  
       7.42    7.48
       7.99    8.07
   
        339.38070291 
        339.36901369 
        339.37680650 
   
  
  
       6.67    6.75
       7.26    7.34
   
        339.19297271 
        339.18742493 
        339.19112345 
   
  
  
       7.51    7.57
       8.11    8.17
   
        339.06580376 
        339.06202561 
        339.06454438 
   
  
  
       6.51    6.57
       7.09    7.15
   
        338.45409335 
        338.45051002 
        338.45289891 
   
  
  
       6.71    6.77
       7.30    7.36
   
        338.46167728 
        338.45812873 
        338.46049443 
   
  
  
       6.63    6.68
       7.20    7.26
   
        338.39079447 
        338.38906420 
        338.39021771 
   
  
  
       6.55    6.60
       7.17    7.22
   
        338.42049373 
        338.41997218 
        338.42031988 
   
  
  
       6.42    6.49
       7.03    7.10
   
        338.51920631 
        338.51769113 
        338.51870125 
   
  
  
       7.50    7.56
       8.08    8.15
   
        338.43317910 
        338.43231831 
        338.43289217 
   
  
  
       6.25    6.32
       6.85    6.92
   
        337.71402380 
        337.72335440 
        337.71713400 
   
  
  
       5.84    5.91
       6.45    6.52
   
        338.41895607 
        338.41268026 
        338.41686413 
   
  
  
       5.85    5.90
       6.45    6.51
   
        338.29792925 
        338.29348825 
        338.29644892 
   
  
  
       4.43    4.50
       5.08    5.15
   
        338.33675673 
        338.32982112 
        338.33444486 
   
  
  
       4.85    4.90
       5.44    5.49
   
        338.38086478 
        338.37426268 
        338.37866408 
   
  
  
       4.48    4.54
       5.06    5.12
   
        338.06067642 
        338.05263569 
        338.05799618 
   
  
  
       4.76    4.82
       5.38    5.44
   
        338.96726911 
        338.96455219 
        338.96636347 
   
  
  
       5.09    5.14
       5.69    5.75
   
        339.67519598 
        339.66594345 
        339.67211180 
   
  
  
       5.28    5.33
       5.86    5.92
   
        340.75149504 
        340.73290465 
        340.74529825 
   
  
  
       5.12    5.18
       5.71    5.77
   
        340.66080730 
        340.64277096 
        340.65479518 
   
  
  
       5.49    5.54
       6.09    6.15
   
        340.66739374 
        340.64946329 
        340.66141692 
   
  
  
       5.11    5.17
       5.73    5.79
   
        340.64645824 
        340.63031657 
        340.64107769 
   
  
  
       4.79    4.85
       5.40    5.46
   
        340.45907101 
        340.44156364 
        340.45323522 
   
  
  
       4.59    4.65
       5.20    5.26
   
        340.90432529 
        340.89181186 
        340.90015415 
   
  
  
       4.70    4.76
       5.30    5.37
   
        340.35108432 
        340.32767893 
        340.34328252 
   
  
  
       4.50    4.58
       5.12    5.21
   
        340.68537309 
        340.67011772 
        340.68028797 
   
  
  
       4.98    5.03
       5.59    5.64
   
        340.52800866 
        340.51420725 
        340.52340819 
   
  
  
       4.99    5.05
       5.61    5.67
   
        340.42878390 
        340.41626214 
        340.42460998 
   
  
  
       4.97    5.02
       5.58    5.64
   
        340.30834804 
        340.29575430 
        340.30415013 
   
  
  
       4.44    4.49
       5.05    5.11
   
        403.54705103 
        403.55561834 
        403.54990680 
   
  
  
       6.07    6.14
       6.68    6.75
   
        417.06905732 
        417.08872902 
        417.07561455 
   
  
  
       5.78    5.84
       6.39    6.45
   
        416.57554047 
        416.59732621 
        416.58280238 
   
  
  
       5.93    5.99
       6.56    6.62
   
        415.28935025 
        415.31247417 
        415.29705822 
   
  
  
       5.80    5.85
       6.42    6.48
   
        400.51965373 
        400.54765219 
        400.52898655 
   
  
  
       5.32    5.38
       5.92    5.98
   
        350.46982317 
        350.47146256 
        350.47036964 
   
  
  
       5.80    5.86
       6.41    6.47
   
        -79.45084996 
        -79.42633443 
        -79.44267812 
   
  
  
       4.75    4.80
       5.35    5.41
   
        439.55469555 
        439.56781753 
        439.55906955 
   
  
  
       5.03    5.09
       5.68    5.73
   
        423.61169860 
        423.59684960 
        423.60674893 
   
  
  
       5.04    5.11
       5.68    5.75
   
        511.05027767 
        511.08103552 
        511.06053029 
   
  
  
       5.74    5.81
       6.35    6.42
   
        451.16768286 
        451.17246012 
        451.16927528 
   
  
  
       6.19    6.25
       6.81    6.87
   
        631.77974241 
        631.80147987 
        631.78698823 
   
  
  
       6.19    6.24
       6.79    6.85
   
        611.32804630 
        611.33657571 
        611.33088944 
   
  
  
       5.67    5.73
       6.28    6.34
   
        230.90867791 
        230.91612824 
        230.91116136 
   
  
  
       5.31    5.37
       5.92    5.98
   
       -440.29470692 
       -440.27442224 
       -440.28794536 
   
  
  
       5.50    5.55
       6.11    6.16
   
        655.33963877 
        655.34739048 
        655.34222268 
   
  
  
       7.33    7.38
       7.93    7.99
   
    -106181.80478627 
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