vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  16:14:18 
 
 
  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 
    
   
   
           0.70997047       0.75953596       0.53281025 
           0.70256195       0.99121033       0.80359496 
           0.01459331       0.48857734       0.40365809 
           0.77529028       0.14660351       0.58145340 
           0.87005222       0.54834927       0.75970211 
           0.72343311       0.40222472       0.18835977 
           0.90788744       0.03655282       0.27722260 
           0.95255898       0.45408559       0.76813249 
           0.18764722       0.98306364       0.57826285 
           0.27170048       0.54338220       0.26884247 
           0.20921709       0.40835334       0.97274089 
           0.62983135       0.73642646       0.41168059 
           0.28042835       0.47092071       0.25328830 
           0.38208555       0.50387012       0.70299668 
           0.23946020       0.51578366       0.27622731 
           0.28144877       0.03490185       0.82784878 
           0.91272332       0.41334268       0.52258201 
           0.37634277       0.49498905       0.58586048 
           0.35752927       0.80430008       0.05295784 
           0.19849331       0.07803731       0.01369166 
           0.73300697       0.06193678       0.21675029 
           0.37175210       0.45862354       0.34448939 
           0.49224067       0.23316263       0.57238431 
           0.22140256       0.80536811       0.50481863 
           0.76522137       0.58604754       0.66459615 
           0.96573455       0.45368971       0.63270429 
           0.88525966       0.49230155       0.13539032 
           0.02903545       0.08800311       0.55309884 
           0.00330522       0.55918182       0.08576394 
           0.72506224       0.90489576       0.26084574 
           0.28881646       0.32468268       0.72296085 
           0.30829724       0.44492039       0.18966766 
           0.57932783       0.71238751       0.73953683 
           0.68891294       0.53456141       0.62647827 
           0.37722900       0.74483419       0.55614568 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
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          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 
   
  
  
          0.70997047       0.75953596       0.53281025 
          0.70256195       0.99121033       0.80359496 
          0.01459331       0.48857734       0.40365809 
          0.77529028       0.14660351       0.58145340 
          0.87005222       0.54834927       0.75970211 
          0.72343311       0.40222472       0.18835977 
          0.90788744       0.03655282       0.27722260 
          0.95255898       0.45408559       0.76813249 
          0.18764722       0.98306364       0.57826285 
          0.27170048       0.54338220       0.26884247 
          0.20921709       0.40835334       0.97274089 
          0.62983135       0.73642646       0.41168059 
          0.28042835       0.47092071       0.25328830 
          0.38208555       0.50387012       0.70299668 
          0.23946020       0.51578366       0.27622731 
          0.28144877       0.03490185       0.82784878 
          0.91272332       0.41334268       0.52258201 
          0.37634277       0.49498905       0.58586048 
          0.35752927       0.80430008       0.05295784 
          0.19849331       0.07803731       0.01369166 
          0.73300697       0.06193678       0.21675029 
          0.37175210       0.45862354       0.34448939 
          0.49224067       0.23316263       0.57238431 
          0.22140256       0.80536811       0.50481863 
          0.76522137       0.58604754       0.66459615 
          0.96573455       0.45368971       0.63270429 
          0.88525966       0.49230155       0.13539032 
          0.02903545       0.08800311       0.55309884 
          0.00330522       0.55918182       0.08576394 
          0.72506224       0.90489576       0.26084574 
          0.28881646       0.32468268       0.72296085 
          0.30829724       0.44492039       0.18966766 
          0.57932783       0.71238751       0.73953683 
          0.68891294       0.53456141       0.62647827 
          0.37722900       0.74483419       0.55614568 
  
 
 
  
       6.01    6.07
       6.55    6.62
   
         24.76344702 
        429.72930068 
      -3124.45144892 
       -286.73137152 
       3170.77583059 
      -2609.60722799 
          0.01328026 
       -235.32745441 
       3755.32434067 
       1124.48869639 
       1124.47541613 
       1124.48426964 
   
  
  
       7.65    7.74
       7.65    7.74
   
        406.37988463 
        406.36997533 
        406.37658153 
   
  
  
       9.70    9.76
       9.71    9.76
   
        224.83358649 
        224.83959983 
        224.83559094 
   
  
  
       8.38    8.44
       8.38    8.44
   
        206.81162742 
        206.82505939 
        206.81610475 
   
  
  
       8.37    8.43
       8.49    8.55
   
        205.53272170 
        205.52157461 
        205.52900601 
   
  
  
       8.34    8.40
       8.90    8.96
   
        212.61705540 
        212.60172244 
        212.61194441 
   
  
  
       8.99    9.05
       9.56    9.62
   
        165.67892170 
        165.67875375 
        165.67886572 
   
  
  
       7.34    7.42
       7.90    7.99
   
        307.24133971 
        307.21804266 
        307.23357403 
   
  
  
       6.95    7.00
       7.51    7.56
   
        322.91700817 
        322.92823294 
        322.92074976 
   
  
  
       7.27    7.32
       7.83    7.89
   
        319.94673512 
        319.94160882 
        319.94502635 
   
  
  
       7.11    7.17
       7.67    7.73
   
        319.76544322 
        319.74992921 
        319.76027189 
   
  
  
       7.38    7.44
       7.94    8.01
   
        317.20011994 
        317.19629436 
        317.19884474 
   
  
  
       8.00    8.07
       8.56    8.64
   
        318.70075296 
        318.73685056 
        318.71278549 
   
  
  
       7.88    7.94
       8.44    8.50
   
        303.04295843 
        303.06888749 
        303.05160145 
   
  
  
       7.39    7.45
       7.96    8.02
   
        312.84232897 
        312.88607852 
        312.85691215 
   
  
  
       7.43    7.49
       8.00    8.06
   
        311.70698966 
        311.72524568 
        311.71307500 
   
  
  
       7.43    7.49
       8.00    8.06
   
        306.77546648 
        306.75464496 
        306.76852597 
   
  
  
       6.72    6.77
       7.29    7.35
   
        312.00677553 
        312.01300090 
        312.00885065 
   
  
  
       8.01    8.07
       8.58    8.64
   
        317.49792789 
        317.54385913 
        317.51323831 
   
  
  
       7.56    7.62
       8.13    8.19
   
        324.66610599 
        324.65415001 
        324.66212066 
   
  
  
       7.18    7.23
       7.75    7.81
   
        324.74717734 
        324.72425210 
        324.73953559