vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  17:29:23 
 
 
  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 
    
   
   
           0.30324175       0.98813689       0.07531365 
           0.57109136       0.57690810       0.96154208 
           0.47097803       0.34135651       0.24641958 
           0.62326017       0.77073134       0.73297644 
           0.37548598       0.81810794       0.19012018 
           0.77215880       0.71949037       0.46644521 
           0.37424477       0.43351788       0.44699914 
           0.69312717       0.89620108       0.10203402 
           0.02312703       0.18549337       0.72929977 
           0.83103292       0.04419657       0.72224461 
           0.33670003       0.06191981       0.99407675 
           0.23502073       0.21297994       0.95121878 
           0.43468871       0.97604579       0.94310296 
           0.70688331       0.69170263       0.70745886 
           0.98304227       0.89303881       0.31681682 
           0.82552535       0.32726203       0.35664937 
           0.10843595       0.62755786       0.89024551 
           0.78719039       0.03348416       0.70181864 
           0.64028695       0.38077672       0.75232400 
           0.64879387       0.63995065       0.19264674 
           0.15169566       0.66043836       0.80261248 
           0.49558088       0.30642609       0.51103792 
           0.43528838       0.69995487       0.79412715 
           0.30512082       0.40670538       0.08722917 
           0.42802122       0.59637278       0.08776079 
           0.06078637       0.54603702       0.80249814 
           0.93097105       0.86649292       0.73310338 
           0.44993385       0.83112748       0.40220973 
           0.00385973       0.82435245       0.74614303 
           0.63344995       0.89181433       0.09407546 
           0.32511695       0.72844742       0.96588382 
           0.74223043       0.21818751       0.23973546 
           0.93513668       0.89414726       0.00368823 
           0.62936813       0.40876848       0.42028985 
           0.81480102       0.21733611       0.99585665 
   
  
  
           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 
   
  
  
          0.30324175       0.98813689       0.07531365 
          0.57109136       0.57690810       0.96154208 
          0.47097803       0.34135651       0.24641958 
          0.62326017       0.77073134       0.73297644 
          0.37548598       0.81810794       0.19012018 
          0.77215880       0.71949037       0.46644521 
          0.37424477       0.43351788       0.44699914 
          0.69312717       0.89620108       0.10203402 
          0.02312703       0.18549337       0.72929977 
          0.83103292       0.04419657       0.72224461 
          0.33670003       0.06191981       0.99407675 
          0.23502073       0.21297994       0.95121878 
          0.43468871       0.97604579       0.94310296 
          0.70688331       0.69170263       0.70745886 
          0.98304227       0.89303881       0.31681682 
          0.82552535       0.32726203       0.35664937 
          0.10843595       0.62755786       0.89024551 
          0.78719039       0.03348416       0.70181864 
          0.64028695       0.38077672       0.75232400 
          0.64879387       0.63995065       0.19264674 
          0.15169566       0.66043836       0.80261248 
          0.49558088       0.30642609       0.51103792 
          0.43528838       0.69995487       0.79412715 
          0.30512082       0.40670538       0.08722917 
          0.42802122       0.59637278       0.08776079 
          0.06078637       0.54603702       0.80249814 
          0.93097105       0.86649292       0.73310338 
          0.44993385       0.83112748       0.40220973 
          0.00385973       0.82435245       0.74614303 
          0.63344995       0.89181433       0.09407546 
          0.32511695       0.72844742       0.96588382 
          0.74223043       0.21818751       0.23973546 
          0.93513668       0.89414726       0.00368823 
          0.62936813       0.40876848       0.42028985 
          0.81480102       0.21733611       0.99585665 
  
 
 
  
       5.98    6.04
       6.53    6.59
   
         24.76344702 
       -194.91094668 
      -2406.13145253 
       -297.42489893 
       3170.77583059 
      -2609.60722799 
         -0.00691015 
       -166.02375212 
       3755.32434067 
       1276.75842989 
       1276.76534004 
       1276.76073328 
   
  
  
       7.65    7.70
       7.65    7.71
   
        656.21028985 
        656.20430156 
        656.20829375 
   
  
  
       8.62    8.67
       8.62    8.68
   
        531.76619150 
        531.78670983 
        531.77303095 
   
  
  
       8.55    8.62
       8.55    8.62
   
        510.66143296 
        510.68379578 
        510.66888724 
   
  
  
       8.25    8.31
       8.35    8.43
   
        509.65643867 
        509.67149125 
        509.66145619 
   
  
  
       8.77    8.82
       9.32    9.38
   
        513.96740716 
        514.00338258 
        513.97939897 
   
  
  
       9.49    9.54
      10.06   10.12
   
        310.81175462 
        310.80790040 
        310.81046988 
   
  
  
       7.29    7.35
       7.87    7.95
   
        448.01725907 
        448.04772033 
        448.02741283 
   
  
  
       7.34    7.41
       7.90    7.98
   
        474.50715750 
        474.48384901 
        474.49938800 
   
  
  
       7.96    8.01
       8.51    8.57
   
        545.85957945 
        545.83342566 
        545.85086152 
   
  
  
       7.91    7.97
       8.46    8.53
   
        571.44231893 
        571.42305070 
        571.43589618 
   
  
  
       7.53    7.61
       8.09    8.17
   
        573.80613070 
        573.74337182 
        573.78521107 
   
  
  
       7.97    8.04
       8.55    8.62
   
        580.60962878 
        580.60315837 
        580.60747198 
   
  
  
       7.41    7.47
       8.00    8.07
   
        579.70506508 
        579.66976217 
        579.69329745 
   
  
  
       7.61    7.68
       8.19    8.26
   
        580.20533066 
        580.15808238 
        580.18958123 
   
  
  
       7.49    7.56
       8.05    8.12
   
        580.19048639 
        580.14264333 
        580.17453870 
   
  
  
       9.32    9.39
       9.92    9.99
   
        580.01095652 
        579.96167268 
        579.99452857 
   
  
  
       7.75    7.81
       8.32    8.38
   
        580.30991168 
        580.25577300 
        580.29186546 
   
  
  
       9.08    9.13
       9.65    9.71
   
        583.66140586 
        583.64433553 
        583.65571575 
   
  
  
       8.96    9.01
       9.52    9.58
   
        581.23589241 
        581.25755546 
        581.24311343 
   
  
  
       7.36    7.41
       7.93    7.98
   
        577.87760621 
        577.82625875 
        577.86049039 
   
  
  
       8.16    8.22
       8.74    8.80
   
        577.91180962 
        577.86695015 
        577.89685647 
   
  
  
       7.79    7.86
       8.37    8.45
   
        579.00638340 
        579.01264356 
        579.00847012 
   
  
  
       7.46    7.51
       8.05    8.10
   
        579.24815965 
        579.24661723 
        579.24764551 
   
  
  
       6.92    6.98
       7.49    7.55
   
        579.57280327 
        579.56613059 
        579.57057904 
   
  
  
       8.35    8.41
       8.92    8.98
   
        579.50282004 
        579.50217051 
        579.50260353 
   
  
  
       8.27    8.32
       8.86    8.92
   
        577.63618622 
        577.64337711 
        577.63858318 
   
  
  
       5.42    5.48
       5.99    6.05
   
        577.02767082 
        577.02318944 
        577.02617702 
   
  
  
       4.62    4.69
       5.25    5.33
   
        577.26045436 
        577.26090218 
        577.26060364 
   
  
  
       6.25    6.31
       6.81    6.88
   
        577.93315832 
        577.93519552 
        577.93383739 
   
  
  
       5.48    5.54
       6.05    6.11
   
        577.58876867 
        577.57222384 
        577.58325373 
   
  
  
       5.56    5.61
       6.13    6.20
   
        577.81937278 
        577.79491413 
        577.81121990 
   
  
  
       5.35    5.40
       5.92    5.98
   
        577.39144053 
        577.39646429 
        577.39311512 
   
  
  
       5.26    5.31
       5.83    5.89
   
        576.75450954 
        576.75397159 
        576.75433022 
   
  
  
       6.02    6.08
       6.61    6.67
   
        576.72615420 
        576.72516483 
        576.72582441 
   
  
  
       6.50    6.55
       7.08    7.14
   
        576.67033183 
        576.66551429 
        576.66872598 
   
  
  
       5.62    5.68
       6.21    6.27
   
        577.05294943 
        577.04026459 
        577.04872115 
   
  
  
       6.15    6.20
       6.74    6.79
   
        575.86753988 
        575.86841860 
        575.86783278 
   
  
  
       6.22    6.28
       6.87    6.94
   
        574.20343102 
        574.21567437 
        574.20751214 
   
  
  
       5.68    5.74
       6.31    6.38
   
        574.57436486 
        574.58381383 
        574.57751452 
   
  
  
       5.16    5.22
       5.77    5.84
   
        574.91600791 
        574.92442493 
        574.91881358 
   
  
  
       5.95    6.00
       6.55    6.61
   
        575.25195544 
        575.26218378 
        575.25536489 
   
  
  
       5.76    5.81
       6.35    6.41
   
        575.52919432 
        575.53810710 
        575.53216525 
   
  
  
       4.82    4.87
       5.42    5.47
   
        575.16252713 
        575.17411152 
        575.16638859 
   
  
  
       4.91    4.96
       5.51    5.57
   
        575.17638773 
        575.18756732 
        575.18011426 
   
  
  
       5.16    5.22
       5.75    5.82
   
        575.21785926 
        575.22935917 
        575.22169257 
   
  
  
       5.31    5.36
       5.91    5.97
   
        575.16991827 
        575.18027940 
        575.17337198 
   
  
  
       4.84    4.89
       5.44    5.51
   
        574.71823303 
        574.72561908 
        574.72069505 
   
  
  
       4.16    4.22
       4.76    4.83
   
        574.89365565 
        574.91013889 
        574.89915007 
   
  
  
       5.96    6.01
       6.56    6.62
   
        576.07735478 
        576.09096361 
        576.08189106 
   
  
  
       4.73    4.78
       5.34    5.39
   
        597.19036958 
        597.17669746 
        597.18581220 
   
  
  
       5.98    6.03
       6.58    6.64
   
        594.72476295 
        594.69551625 
        594.71501405 
   
  
  
       5.74    5.80
       6.35    6.41
   
        594.64010583 
        594.62972848 
        594.63664671 
   
  
  
       6.16    6.21
       6.77    6.83
   
        594.79120481 
        594.78168549 
        594.78803170 
   
  
  
       5.61    5.66
       6.23    6.28
   
        594.18076740 
        594.16770027 
        594.17641169 
   
  
  
       3.28    3.34
       3.93    4.00
   
        601.40396837 
        601.37945559 
        601.39579744 
   
  
  
       3.48    3.57
       4.09    4.19
   
        609.17110310 
        609.16385711 
        609.16868777