vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  02:52:49 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
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       1
      400.00000000
        1.11000000      0.32000000      0.73000000
  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 
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           0.09407411       0.28268957       0.33250984 
           0.81788805       0.33381276       0.02635395 
           0.95631141       0.42171441       0.51711759 
           0.08162894       0.33382169       0.13670203 
           0.19974249       0.40730244       0.39049180 
           0.82997632       0.54583899       0.52126994 
           0.77157917       0.24448362       0.88277087 
           0.05953399       0.51087217       0.65212802 
           0.01332784       0.20576716       0.76136420 
           0.90262850       0.31041626       0.59206659 
           0.86480593       0.44477183       0.95604811 
           0.13750296       0.32395782       0.73657676 
           0.09773098       0.43529308       0.81867412 
           0.42343024       0.46054529       0.12133446 
           0.36372603       0.29275816       0.42114724 
           0.68959527       0.48480706       0.20913562 
           0.64307716       0.31338490       0.34037414 
           0.32491017       0.31788512       0.00918781 
           0.43557621       0.43814770       0.52215406 
           0.56133798       0.34696419       0.14094317 
           0.69218104       0.42933937       0.40020201 
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           0.45324549       0.57970756       0.67517898 
   
  
  
           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 
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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
      105
       -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  
          1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
         -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
           0.00000002
           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
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          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
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        2
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         0.00010000
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        1
      256
        16.00000000
  
  
        2
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        0
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      301
        10.00000000
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         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
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000      1.00000000     16.00000000
         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
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         1.00000000
         1.00000000
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        1
        1
        1
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    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
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        -0.10000000
         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
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    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
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      -200.00000000
        0
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    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
    H    2
    H    2
    O    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
           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 
   
  
  
          0.93082578       0.52878619       0.10887723 
          0.85052673       0.23315893       0.42711090 
          0.13688570       0.44827783       0.19563029 
          0.09407411       0.28268957       0.33250984 
          0.81788805       0.33381276       0.02635395 
          0.95631141       0.42171441       0.51711759 
          0.08162894       0.33382169       0.13670203 
          0.19974249       0.40730244       0.39049180 
          0.82997632       0.54583899       0.52126994 
          0.77157917       0.24448362       0.88277087 
          0.05953399       0.51087217       0.65212802 
          0.01332784       0.20576716       0.76136420 
          0.90262850       0.31041626       0.59206659 
          0.86480593       0.44477183       0.95604811 
          0.13750296       0.32395782       0.73657676 
          0.09773098       0.43529308       0.81867412 
          0.42343024       0.46054529       0.12133446 
          0.36372603       0.29275816       0.42114724 
          0.68959527       0.48480706       0.20913562 
          0.64307716       0.31338490       0.34037414 
          0.32491017       0.31788512       0.00918781 
          0.43557621       0.43814770       0.52215406 
          0.56133798       0.34696419       0.14094317 
          0.69218104       0.42933937       0.40020201 
          0.31925543       0.55518824       0.55256931 
          0.27385843       0.23196514       0.86398254 
          0.59962132       0.51705477       0.65650235 
          0.53824079       0.21014006       0.75110176 
          0.39754738       0.32839995       0.62469192 
          0.36807873       0.42695199       0.91903866 
          0.67174145       0.32670564       0.72760972 
          0.63206672       0.43663405       0.81542012 
          0.65808177       0.69369843       0.62483202 
          0.66491978       0.70742978       0.56079413 
          0.45324549       0.57970756       0.67517898 
  
 
 
  
      12.41   12.43
      13.58   13.60
   
         24.76344702 
       9013.86589405 
     -12294.88011397 
       -264.10571108 
       3167.08814863 
      -2605.71786812 
         -0.00758103 
       -197.12082683 
       3755.32434067 
        599.20972934 
        599.21731037 
        599.21225635 
   
  
  
      15.56   15.58
      15.56   15.59
   
        -88.99597644 
        -88.99208875 
        -88.99468054 
   
  
  
      14.86   14.93
      14.86   14.93
   
       -162.54284910 
       -162.51740222 
       -162.53436681 
   
  
  
      15.29   15.36
      15.29   15.37
   
       -165.54489978 
       -165.51802733 
       -165.53594230 
   
  
  
      16.10   16.15
      16.30   16.36
   
       -165.69680375 
       -165.66991606 
       -165.68784118 
   
  
  
      13.29   13.35
      14.65   14.72
   
       -137.90251169 
       -137.88782629 
       -137.89761655 
   
  
  
      14.42   14.48
      15.45   15.51
   
       -500.58869536 
       -500.59026598 
       -500.58921890 
   
  
  
      13.94   13.99
      14.79   14.83
   
       -143.42877421 
       -143.39288031 
       -143.41680958 
   
  
  
      13.28   13.32
      14.31   14.36
   
       -133.99076588 
       -133.98938833 
       -133.99030669 
   
  
  
      15.65   15.71
      16.52   16.58
   
       -145.48627854 
       -145.45925124 
       -145.47726944 
   
  
  
      14.29   14.34
      15.35   15.41
   
       -147.86947524 
       -147.85537808 
       -147.86477618 
   
  
  
      14.95   15.01
      15.80   15.86
   
       -151.57318661 
       -151.57291275 
       -151.57309532 
   
  
  
      13.88   13.93
      14.71   14.75
   
       -158.61180023 
       -158.61000076 
       -158.61120041 
   
  
  
      13.17   13.24
      13.98   14.06
   
       -162.25273374 
       -162.26867100 
       -162.25804616 
   
  
  
      18.85   18.92
      19.65   19.72
   
      -3603.68439662 
      -3603.65319524 
      -3603.67399616 
   
  
  
      13.92   13.98
      14.79   14.85
   
       -158.95259504 
       -158.97260392 
       -158.95926467 
   
  
  
      15.15   15.19
      16.00   16.05
   
       -168.40168602 
       -168.42599065 
       -168.40978757 
   
  
  
      15.30   15.35
      16.12   16.17
   
       -167.85327575 
       -167.88055740 
       -167.86236963 
   
  
  
      14.20   14.29
      15.05   15.14
   
       -168.14338403 
       -168.16679907 
       -168.15118905 
   
  
  
      14.85   14.90
      15.69   15.74
   
       -171.84024901 
       -171.86349163 
       -171.84799655 
   
  
  
      13.50   13.55
      14.31   14.36
   
       -173.39098598 
       -173.41593017 
       -173.39930071 
   
  
  
      14.74   14.80
      15.55   15.60
   
       -176.61523919 
       -176.64062189 
       -176.62370009 
   
  
  
      16.59   16.63
      17.39   17.44
   
     -13961.67697339 
     -13961.66078739 
     -13961.67157805 
   
  
  
      12.79   12.85
      13.65   13.70
   
       -138.38475855 
       -138.38947202 
       -138.38632971 
   
  
  
      14.13   14.17
      14.96   15.00
   
       -163.84811428 
       -163.85092451 
       -163.84905102 
   
  
  
      14.40   14.44
      15.24   15.28
   
       -173.46669598 
       -173.49150398 
       -173.47496531 
   
  
  
      14.08   14.12
      14.92   14.95
   
       -173.70817491 
       -173.73380356 
       -173.71671779 
   
  
  
      12.21   12.25
      13.21   13.26
   
       -176.13357684 
       -176.15904131 
       -176.14206500 
   
  
  
      10.78   10.84
      11.61   11.67
   
       -178.26331588 
       -178.28878010 
       -178.27180396 
   
  
  
       9.62    9.67
      10.53   10.58
   
       -172.66578732 
       -172.69126303 
       -172.67427922 
   
  
  
       9.95   10.00
      10.81   10.86
   
       -173.80940639 
       -173.83533137 
       -173.81804805 
   
  
  
      10.63   10.66
      11.44   11.47
   
       -174.20019777 
       -174.22592028 
       -174.20877194 
   
  
  
       9.81    9.86
      10.63   10.68
   
     -95504.13642029 
     -95504.10562986 
     -95504.12615681 
   
  
  
       2.65    2.69
       3.72    3.77
   
     -23793.54299923 
     -23793.52644112 
     -23793.53747986 
   
  
  
       2.98    3.04
       4.09    4.15
   
       -153.56897909 
       -153.60139654 
       -153.57978491 
   
  
  
       3.04    3.09
       3.85    3.90
   
       -170.21351089 
       -170.23666632 
       -170.22122937 
   
  
  
       2.95    3.00
       3.68    3.72
   
       -173.72897431 
       -173.75365363 
       -173.73720075 
   
  
  
       2.82    2.85
       3.53    3.56
   
       -176.30458306 
       -176.32966893 
       -176.31294502 
   
  
  
       2.70    2.73
       3.41    3.44
   
       -171.80718867 
       -171.83246356 
       -171.81561363