vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  07:52:25 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
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       1
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  Auto
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        0.20000000
       1
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   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      19.66310000       0.00000000 
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       1632.96160543 
    
            0.13049549       0.00000000       0.00000000 
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           0.82036091       0.33395697       0.02694657 
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           0.08456901       0.33464510       0.13846856 
           0.19948509       0.40684311       0.39018158 
           0.83400417       0.54614630       0.51852079 
           0.77416680       0.24492167       0.88221706 
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           0.09976052       0.43562661       0.81799271 
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           0.44514680       0.57963925       0.66051612 
   
  
  
           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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          0.25000000 
          0.25000000 
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   No title
    F  
  
  
   normal
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         0.00001000
       38
       10
      105
       -1
       -1
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        0
        0
        0
        0
         0.00000000
   
         1
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          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
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      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
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          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
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          4
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          0.40000000
          1.00000000
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          4
      F  
        -45
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          1
          5
    
   
   
     F  
     F  
         0
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       -100.00000000   -100.00000000   -100.00000000
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       40
       96
       54
       80
      192
      108
    F  
  
  
        0
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         0.00010000
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        2
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        0
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      301
        10.00000000
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        1
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    F  
    F  
    F  
    F  
    F  
    F  
    F  
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        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
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        0
         0.00000000
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         1.00000000
         1.00000000
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        1
        1
        1
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        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
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        0
        27.99362752
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
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         0.00200000
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         0.00000000
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    F  
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    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
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        0
        0
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       -1
      200
        1
        3
        4
        0
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        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 
   
  
  
          0.92491224       0.52823692       0.10742996 
          0.85797101       0.23441517       0.42946628 
          0.13353872       0.44980745       0.19760065 
          0.10015483       0.28586361       0.33631617 
          0.82036091       0.33395697       0.02694657 
          0.95930100       0.42273698       0.51942658 
          0.08456901       0.33464510       0.13846856 
          0.19948509       0.40684311       0.39018158 
          0.83400417       0.54614630       0.51852079 
          0.77416680       0.24492167       0.88221706 
          0.05974231       0.51164987       0.65354944 
          0.02131534       0.20669880       0.76517190 
          0.90273135       0.31203602       0.59520187 
          0.86491676       0.44436909       0.95318025 
          0.14234306       0.32428024       0.73666275 
          0.09976052       0.43562661       0.81799271 
          0.41595528       0.46806856       0.12144597 
          0.37199377       0.28566868       0.42267160 
          0.68728924       0.47913312       0.20452990 
          0.64735028       0.31263609       0.34213155 
          0.33229582       0.32193218       0.01400331 
          0.43455405       0.43600061       0.52007796 
          0.56830143       0.35197330       0.14626998 
          0.69446347       0.43073203       0.40180786 
          0.31170197       0.55295850       0.54361931 
          0.28025741       0.23418190       0.87016005 
          0.59382756       0.51693489       0.64728229 
          0.53964230       0.21039949       0.75320619 
          0.40093181       0.32653600       0.62280298 
          0.36878425       0.43027839       0.92020722 
          0.67097046       0.32815415       0.72987646 
          0.63030914       0.43898939       0.81246387 
          0.64533953       0.68724419       0.63015446 
          0.63707266       0.69497750       0.56033198 
          0.44514680       0.57963925       0.66051612 
  
 
 
  
       9.98   10.01
      10.83   10.86
   
         24.76344702 
       9069.71279772 
     -12349.93781038 
       -264.00446808 
       3167.08814863 
      -2605.71786812 
         -0.01155426 
       -196.89687169 
       3755.32434067 
        600.32016151 
        600.33171577 
        600.32401293 
   
  
  
      15.64   15.66
      15.64   15.66
   
        -89.05193519 
        -89.03698145 
        -89.04695061 
   
  
  
      15.01   15.06
      15.02   15.07
   
       -162.75358047 
       -162.73421302 
       -162.74712466 
   
  
  
      15.52   15.56
      15.53   15.57
   
       -165.67138260 
       -165.64970012 
       -165.66415511 
   
  
  
      16.43   16.48
      16.59   16.63
   
       -165.81691575 
       -165.79530220 
       -165.80971124 
   
  
  
      16.26   16.28
      17.07   17.09
   
     -15208.74311775 
     -15208.72942970 
     -15208.73855507 
   
  
  
      13.54   13.61
      14.46   14.53
   
       -109.67148516 
       -109.66868837 
       -109.67055290 
   
  
  
      14.94   14.99
      15.87   15.92
   
       -137.97792441 
       -137.97361628 
       -137.97648837 
   
  
  
      16.95   17.00
      17.75   17.81
   
       -214.38825912 
       -214.37548839 
       -214.38400221 
   
  
  
      13.62   13.66
      14.85   14.89
   
       -138.55242039 
       -138.53129759 
       -138.54537946 
   
  
  
      13.32   13.37
      14.56   14.61
   
       -152.41906326 
       -152.39495071 
       -152.41102574 
   
  
  
      14.69   14.72
      15.66   15.68
   
       -147.35890314 
       -147.33251598 
       -147.35010742 
   
  
  
      14.03   14.06
      15.13   15.15
   
       -145.63887484 
       -145.66008703 
       -145.64594557 
   
  
  
      13.86   13.89
      14.73   14.75
   
       -152.82803324 
       -152.80960659 
       -152.82189102 
   
  
  
      13.01   13.04
      13.87   13.90
   
       -159.64216340 
       -159.64078634 
       -159.64170438 
   
  
  
      13.83   13.91
      14.84   14.92
   
       -165.38731457 
       -165.39960029 
       -165.39140981 
   
  
  
      13.67   13.70
      14.61   14.65
   
       -169.27163234 
       -169.30156882 
       -169.28161116 
   
  
  
      13.49   13.53
      14.31   14.36
   
       -172.59437140 
       -172.62160891 
       -172.60345057 
   
  
  
      14.15   14.19
      15.00   15.04
   
       -172.19010552 
       -172.21643718 
       -172.19888274 
   
  
  
      13.51   13.57
      14.33   14.39
   
       -173.53550059 
       -173.56177915 
       -173.54426011 
   
  
  
      14.03   14.09
      14.85   14.91
   
       -172.18452114 
       -172.21038908 
       -172.19314379 
   
  
  
      14.28   14.33
      15.15   15.19
   
       -173.18477051 
       -173.21034429 
       -173.19329510 
   
  
  
      14.08   14.14
      14.93   14.98
   
       -174.01911829 
       -174.04453519 
       -174.02759059 
   
  
  
      14.65   14.69
      15.49   15.53
   
       -174.09201895 
       -174.11753408 
       -174.10052399 
   
  
  
      14.16   14.21
      15.01   15.06
   
       -174.01138858 
       -174.03696583 
       -174.01991433 
   
  
  
      16.20   16.23
      17.06   17.09
   
    -612495.01459252 
    -612494.99931681 
    -612495.00950062 
   
  
  
      12.46   12.50
      13.32   13.37
   
       -107.21574515 
       -107.20385661 
       -107.21178230 
   
  
  
      13.93   13.98
      14.88   14.93
   
       -164.51918282 
       -164.51194760 
       -164.51677108 
   
  
  
      11.02   11.06
      11.91   11.95
   
       -173.97305609 
       -173.99665245 
       -173.98092154 
   
  
  
      10.81   10.88
      11.83   11.90
   
       -174.83951325 
       -174.86489707 
       -174.84797452 
   
  
  
      13.46   13.49
      14.33   14.36
   
      -9438.51511931 
      -9438.52905857 
      -9438.51976573 
   
  
  
       9.10    9.17
      10.10   10.17
   
       -152.02465604 
       -152.01471438 
       -152.02134215 
   
  
  
       7.31    7.35
       8.31    8.35
   
       -171.41922815 
       -171.43621975 
       -171.42489202 
   
  
  
       5.76    5.80
       6.80    6.83
   
       -174.33033706 
       -174.35467692 
       -174.33845034 
   
  
  
       4.63    4.66
       5.50    5.53
   
       -174.19558405 
       -174.22044666 
       -174.20387159 
   
  
  
       3.25    3.28
       3.98    4.02
   
       -174.18445388 
       -174.20940240 
       -174.19277005 
   
  
  
       3.32    3.36
       4.06    4.10
   
       -476.16722025 
       -476.15890491 
       -476.16444847 
   
  
  
       3.63    3.67
       4.38    4.42
   
     -11660.14666178 
     -11660.14448326 
     -11660.14593561 
   
  
  
       2.55    2.59
       3.23    3.27
   
       -153.58345020 
       -153.58285498 
       -153.58325179 
   
  
  
       2.97    3.00
       3.65    3.69
   
       -171.38634589 
       -171.41074921 
       -171.39448033 
   
  
  
       2.92    2.96
       3.61    3.65
   
       -174.01629087 
       -174.04120391 
       -174.02459521 
   
  
  
       2.90    2.93
       3.60    3.63
   
       -174.06025781 
       -174.08520291 
       -174.06857284 
   
  
  
       3.29    3.32
       3.97    4.00
   
       -207.36520552 
       -207.34405488 
       -207.35815531 
   
  
  
       2.83    2.87
       3.53    3.57
   
       -168.20497587 
       -168.22977134 
       -168.21324103 
   
  
  
       2.81    2.84
       3.51    3.54
   
       -173.52091964 
       -173.54589736 
       -173.52924555 
   
  
  
       2.93    2.97
       3.65    3.69
   
       -173.99720877 
       -174.02220872 
       -174.00554208 
   
  
  
       2.90    2.95
       3.63    3.67
   
       -174.07956193 
       -174.10450796 
       -174.08787727 
   
  
  
       2.96    3.00
       3.68    3.72
   
       -174.15033528 
       -174.16197088 
       -174.15421381 
   
  
  
       3.37    3.39
       4.07    4.10
   
     -38558.65587581 
     -38558.66007120 
     -38558.65727427 
   
  
  
       3.08    3.12
       3.80    3.84
   
    -205304.32733603 
    -205304.33041479 
    -205304.32836228 
   
  
  
       2.83    2.86
       3.55    3.58
   
       -162.84233865 
       -162.82781754 
       -162.83749828 
   
  
  
       3.08    3.12
       3.79    3.84
   
       -238.94252969 
       -238.94422171 
       -238.94309369 
   
  
  
       3.11    3.15
       3.83    3.88
   
       -296.98572436 
       -296.97896774 
       -296.98347215 
   
  
  
       3.34    3.37
       4.05    4.09
   
       -380.84876012 
       -380.82948469 
       -380.84233497 
   
  
  
       3.26    3.30
       3.96    4.00
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.86    2.89
       3.57    3.60
   
       -110.51393377 
       -110.49945213 
       -110.50910656 
   
  
  
       3.15    3.18
       3.85    3.89
   
       -166.58368542 
       -166.58302511 
       -166.58346532 
   
  
  
       2.83    2.86
       3.54    3.57
   
       -174.58342269 
       -174.60793071 
       -174.59159203 
   
  
  
       2.87    2.90
       3.58    3.61
   
       -174.07070581 
       -174.09752308 
       -174.07964490 
   
  
  
       2.97    3.01
       3.68    3.72
   
       -175.07918093 
       -175.10948045 
       -175.08928077 
   
  
  
       2.74    2.78
       3.44    3.48
   
       -175.94231419 
       -175.97121546 
       -175.95194795 
   
  
  
       3.07    3.09
       3.79    3.82
   
       -197.01520077 
       -197.01777738 
       -197.01605964 
   
  
  
       3.13    3.15
       3.86    3.88
   
       -384.85258687 
       -384.83870181 
       -384.84795852 
   
  
  
       3.21    3.24
       3.93    3.96
   
       -229.96802831 
       -229.95075942 
       -229.96227201 
   
  
  
       3.13    3.18
       3.86    3.90
   
      -1221.50854030 
      -1221.49793311 
      -1221.50500457 
   
  
  
       2.92    2.94
       3.63    3.66
   
       -777.04301869 
       -777.03184086 
       -777.03929274 
   
  
  
       2.78    2.82
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      -3149.14103078 
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       2.86    2.88
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      -1936.72223013 
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       2.92    2.97
       3.65    3.69
   
     -12167.67238283 
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     -12167.66886039 
   
  
  
       2.80    2.83
       3.51    3.55
   
     -31505.78258478 
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     -31505.77726395 
   
  
  
       2.78    2.82
       3.48    3.51
   
    -103974.43719539 
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    -103974.43030802 
   
  
  
       2.94    2.96
       3.63    3.66
   
    -181335.66035918 
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    -181335.65741468 
   
  
  
       3.18    3.21
       3.87    3.90
   
    -487012.16832843 
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    -487012.17257788 
   
  
  
       2.92    2.96
       3.63    3.67
   
     -41947.94037272 
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       2.90    2.95
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      -7856.41738116 
      -7856.40307786 
      -7856.41261339 
   
  
  
       2.97    3.02
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     -69430.16106936 
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     -69430.16595379 
   
  
  
       2.79    2.82
       3.50    3.53
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.69    2.72
       3.39    3.42
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.76    2.80
       3.46    3.50
   
    -884411.62892201 
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       3.03    3.06
       3.74    3.77
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.10    3.14
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    -243284.70777907 
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    -243284.70644340 
   
  
  
       1.80    1.84
       2.48    2.51
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.81    1.84
       2.48    2.51
   
    -752892.43558640 
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    -752892.43118412 
   
  
  
       1.81    1.84
       2.49    2.52
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.79    1.81
       2.45    2.48
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.73    1.76
       2.37    2.39
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.81    1.84
       2.45    2.48
   
    -925983.60383420 
    -925983.60004049 
    -925983.60256963 
   
  
  
       1.93    1.95
       2.57    2.60
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.87    1.88
       2.53    2.55
   
    **************** 
    **************** 
    ****************