vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  08:45:21 
 
 
  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 
    
   
   
           0.01809711       0.01410587       0.00920366 
           0.94246668       0.22783924       0.91310632 
           0.59084557       0.36151997       0.38498770 
           0.99430253       0.32735682       0.70395350 
           0.22736255       0.12999015       0.44882179 
           0.43328710       0.68182991       0.09929415 
           0.81558402       0.75593335       0.47089173 
           0.77644400       0.00194322       0.44594757 
           0.64225250       0.15383218       0.01478430 
           0.46295051       0.58682222       0.28322276 
           0.61604209       0.36781736       0.65829459 
           0.67351808       0.39232505       0.11546494 
           0.23386721       0.75450102       0.37560136 
           0.95415724       0.37779808       0.72255036 
           0.91963755       0.44075727       0.30669369 
           0.27199053       0.38458598       0.99695673 
           0.70267927       0.00244677       0.67511320 
           0.03863179       0.82894173       0.02834728 
           0.85628685       0.37012966       0.24300066 
           0.53465070       0.69284840       0.95316455 
           0.44532690       0.26966602       0.72442794 
           0.15162433       0.26736755       0.80285659 
           0.29361612       0.79713486       0.52819426 
           0.41706871       0.71847462       0.95025468 
           0.74183836       0.70580629       0.71447935 
           0.31033852       0.34103049       0.35047152 
           0.29360348       0.33256262       0.68628190 
           0.15791005       0.54300487       0.45197163 
           0.48119780       0.20033674       0.85489875 
           0.28239519       0.34503470       0.69545723 
           0.66029073       0.21692795       0.93455216 
           0.39826403       0.23810332       0.88481069 
           0.30479710       0.23003285       0.74283591 
           0.86337710       0.25638812       0.76741893 
           0.77943464       0.33129461       0.57263471 
   
  
  
           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 
   
  
  
          0.01809711       0.01410587       0.00920366 
          0.94246668       0.22783924       0.91310632 
          0.59084557       0.36151997       0.38498770 
          0.99430253       0.32735682       0.70395350 
          0.22736255       0.12999015       0.44882179 
          0.43328710       0.68182991       0.09929415 
          0.81558402       0.75593335       0.47089173 
          0.77644400       0.00194322       0.44594757 
          0.64225250       0.15383218       0.01478430 
          0.46295051       0.58682222       0.28322276 
          0.61604209       0.36781736       0.65829459 
          0.67351808       0.39232505       0.11546494 
          0.23386721       0.75450102       0.37560136 
          0.95415724       0.37779808       0.72255036 
          0.91963755       0.44075727       0.30669369 
          0.27199053       0.38458598       0.99695673 
          0.70267927       0.00244677       0.67511320 
          0.03863179       0.82894173       0.02834728 
          0.85628685       0.37012966       0.24300066 
          0.53465070       0.69284840       0.95316455 
          0.44532690       0.26966602       0.72442794 
          0.15162433       0.26736755       0.80285659 
          0.29361612       0.79713486       0.52819426 
          0.41706871       0.71847462       0.95025468 
          0.74183836       0.70580629       0.71447935 
          0.31033852       0.34103049       0.35047152 
          0.29360348       0.33256262       0.68628190 
          0.15791005       0.54300487       0.45197163 
          0.48119780       0.20033674       0.85489875 
          0.28239519       0.34503470       0.69545723 
          0.66029073       0.21692795       0.93455216 
          0.39826403       0.23810332       0.88481069 
          0.30479710       0.23003285       0.74283591 
          0.86337710       0.25638812       0.76741893 
          0.77943464       0.33129461       0.57263471 
  
 
 
  
       5.98    6.03
       6.50    6.55
   
         24.76344702 
       1914.94007504 
      -4211.71339712 
       -284.27765985 
       3170.77583059 
      -2609.60722799 
          0.01287224 
       -256.09789268 
       3755.32434067 
       1504.12038793 
       1504.10751570 
       1504.11609719 
   
  
  
       7.86    7.92
       7.86    7.92
   
        780.55053482 
        780.54648400 
        780.54918455 
   
  
  
       9.77    9.82
       9.77    9.82
   
        602.91075860 
        602.92042182 
        602.91397968 
   
  
  
       8.29    8.34
       8.29    8.34
   
        580.03759437 
        579.99410020 
        580.02309631 
   
  
  
       8.09    8.15
       8.21    8.28
   
        578.82496288 
        578.77432313 
        578.80808296 
   
  
  
       9.60    9.65
      10.16   10.22
   
        575.14992537 
        575.15818362 
        575.15267812 
   
  
  
       9.04    9.09
       9.62    9.67
   
        588.33162723 
        588.33208368 
        588.33177938 
   
  
  
       7.62    7.68
       8.21    8.28
   
        702.44963802 
        702.48624426 
        702.46184010 
   
  
  
       7.61    7.69
       8.18    8.26
   
        684.49679255 
        684.53311802 
        684.50890104 
   
  
  
       7.82    7.89
       8.38    8.45
   
        681.55729554 
        681.60970386 
        681.57476498 
   
  
  
       7.84    7.91
       8.40    8.47
   
        666.82590323 
        666.87842862 
        666.84341169 
   
  
  
       7.39    7.45
       7.98    8.04
   
        664.40615368 
        664.43250744 
        664.41493827 
   
  
  
       8.50    8.56
       9.09    9.15
   
        284.81815224 
        284.88029310 
        284.83886586 
   
  
  
       7.18    7.24
       7.75    7.81
   
        644.61090230 
        644.68048213 
        644.63409557 
   
  
  
       8.28    8.34
       8.84    8.91
   
       -962.18478198 
       -962.13869099 
       -962.16941831 
   
  
  
       6.56    6.61
       7.13    7.19
   
      -1334.49650364 
      -1334.44265639 
      -1334.47855456 
   
  
  
       7.63    7.68
       8.22    8.28
   
     -53735.21152867 
     -53735.15894838 
     -53735.19400191 
   
  
  
       6.93    7.01
       7.50    7.58
   
        680.23817707 
        680.31806660 
        680.26480691 
   
  
  
       7.48    7.54
       8.07    8.15
   
        605.25010196 
        605.26609600 
        605.25543331 
   
  
  
       7.13    7.19
       7.75    7.81
   
        629.17442366 
        629.22118086 
        629.19000939 
   
  
  
       7.06    7.13
       7.63    7.70
   
        645.75662423 
        645.79851182 
        645.77058676 
   
  
  
       6.97    7.03
       7.54    7.60
   
        651.48531969 
        651.48982262 
        651.48682066 
   
  
  
       7.31    7.37
       7.88    7.94
   
        659.61542703 
        659.60711241 
        659.61265549 
   
  
  
       7.23    7.31
       7.81    7.89
   
        674.81071652 
        674.80339743 
        674.80827682 
   
  
  
       7.48    7.54
       8.06    8.11
   
        673.68805217 
        673.69936599 
        673.69182344 
   
  
  
       6.94    7.00
       7.53    7.59
   
        675.76762115 
        675.78846701 
        675.77456977 
   
  
  
       6.35    6.42
       6.93    7.00
   
        681.86320935 
        681.88965822 
        681.87202564 
   
  
  
       7.18    7.24
       7.76    7.81
   
        685.29749861 
        685.30650785 
        685.30050169 
   
  
  
       7.08    7.15
       7.66    7.73
   
        686.11193763 
        686.11883974 
        686.11423833 
   
  
  
       4.68    4.75
       5.31    5.39
   
        689.46265430 
        689.44784785 
        689.45771881 
   
  
  
       5.83    5.88
       6.40    6.45
   
        691.25608464 
        691.23618376 
        691.24945101 
   
  
  
       5.16    5.23
       5.73    5.80
   
        695.17717193 
        695.14466532 
        695.16633639 
   
  
  
       5.72    5.78
       6.28    6.34
   
        697.95044682 
        697.94154895 
        697.94748087 
   
  
  
       5.14    5.21
       5.72    5.79
   
        697.26055637 
        697.22441946 
        697.24851073 
   
  
  
       5.22    5.28
       5.81    5.87
   
        699.50137603 
        699.48999141 
        699.49758116 
   
  
  
       5.35    5.41
       5.94    6.00
   
        700.18098751 
        700.17046540 
        700.17748014 
   
  
  
       4.93    4.99
       5.52    5.59
   
        699.03570922 
        699.01961095 
        699.03034313 
   
  
  
       5.29    5.35
       5.87    5.93
   
        698.98932565 
        698.97682468 
        698.98515866 
   
  
  
       5.21    5.27
       5.79    5.86
   
        698.89218896 
        698.88048084 
        698.88828625 
   
  
  
       4.91    4.97
       5.50    5.57
   
        698.13838146 
        698.12968563 
        698.13548285 
   
  
  
       4.90    4.95
       5.48    5.54
   
        696.65888225 
        696.66894350 
        696.66223600 
   
  
  
       5.42    5.49
       6.02    6.09
   
        697.03311743 
        697.05663488 
        697.04095658 
   
  
  
       5.47    5.52
       6.06    6.12
   
        696.91533842 
        696.93889826 
        696.92319170 
   
  
  
       5.40    5.46
       6.01    6.07
   
        697.09029795 
        697.11344616 
        697.09801402 
   
  
  
       4.65    4.71
       5.27    5.33
   
        696.52954416 
        696.54953775 
        696.53620869 
   
  
  
       4.69    4.76
       5.31    5.38
   
        696.54279301 
        696.56056575 
        696.54871726 
   
  
  
       4.95    5.02
       5.57    5.64
   
        696.54198832 
        696.56051712 
        696.54816458 
   
  
  
       4.48    4.58
       5.10    5.20
   
        696.32623913 
        696.34225491 
        696.33157772 
   
  
  
       5.74    5.81
       6.36    6.43
   
        696.30372036 
        696.31964476 
        696.30902849 
   
  
  
       4.77    4.85
       5.39    5.46
   
        694.97807502 
        694.99092162 
        694.98235722 
   
  
  
       4.43    4.49
       5.04    5.10
   
        711.01328136 
        710.98904550 
        711.00520274 
   
  
  
       5.12    5.18
       5.73    5.80
   
        708.87851137 
        708.85140068 
        708.86947447 
   
  
  
       6.22    6.29
       6.85    6.92
   
        708.85207544 
        708.82556929 
        708.84324005 
   
  
  
       5.98    6.04
       6.60    6.67
   
        708.76859486 
        708.74218522 
        708.75979164 
   
  
  
       5.97    6.03
       6.59    6.65
   
        708.81154556 
        708.78519757 
        708.80276289 
   
  
  
       4.23    4.28
       4.83    4.89
   
        711.39406754 
        711.34904982 
        711.37906163 
   
  
  
       4.65    4.71
       5.29    5.35
   
        711.56514133 
        711.50984266 
        711.54670844 
   
  
  
       5.71    5.77
       6.36    6.42
   
        711.48218654 
        711.45598338 
        711.47345216 
   
  
  
       4.83    4.88
       5.46    5.51
   
        707.37792953 
        707.39629495 
        707.38405133 
   
  
  
       4.73    4.80
       5.34    5.41
   
        704.65302037 
        704.68944301 
        704.66516125 
   
  
  
       5.26    5.31
       5.87    5.93
   
        706.03511704 
        706.07109562 
        706.04710990 
   
  
  
       5.31    5.36
       5.91    5.97
   
        708.31974078 
        708.35157162 
        708.33035106 
   
  
  
       5.10    5.15
       5.72    5.77
   
        708.62517660 
        708.65062887 
        708.63366069 
   
  
  
       5.45    5.50
       6.06    6.12
   
        708.14239287 
        708.15189487 
        708.14556020 
   
  
  
       5.22    5.28
       5.83    5.89
   
        708.75295583 
        708.74693611 
        708.75094925 
   
  
  
       4.83    4.89
       5.47    5.54
   
        709.85082606 
        709.84075020 
        709.84746744 
   
  
  
       5.50    5.57
       6.13    6.20
   
        711.35945901 
        711.33900325 
        711.35264043 
   
  
  
       5.08    5.13
       5.70    5.76
   
        713.25552970 
        713.22674120 
        713.24593353 
   
  
  
       5.39    5.45
       6.02    6.08
   
        715.54360262 
        715.51341167 
        715.53353897 
   
  
  
       5.20    5.25
       5.82    5.88
   
        715.58401153 
        715.54717552 
        715.57173286 
   
  
  
       4.84    4.92
       5.44    5.52
   
        713.34098899 
        713.30086977 
        713.32761592 
   
  
  
       4.87    4.94
       5.48    5.54
   
        716.20016137 
        716.17323438 
        716.19118571 
   
  
  
       5.41    5.48
       6.02    6.09
   
        716.79340984 
        716.77406803 
        716.78696257 
   
  
  
       5.43    5.49
       6.04    6.12
   
        716.92312779 
        716.90349016 
        716.91658191 
   
  
  
       4.94    5.00
       5.55    5.62
   
        717.83979003 
        717.81534581 
        717.83164195