vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  16:41:23 
 
 
  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
        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 
    
   
   
           0.21492019       0.22351126       0.35145933 
           0.43708512       0.92789207       0.64572397 
           0.85745571       0.60680004       0.68378167 
           0.71201798       0.78257771       0.88461627 
           0.01389906       0.15802119       0.29281058 
           0.13223278       0.17994163       0.49240948 
           0.69406168       0.97235695       0.25789339 
           0.66353786       0.70249573       0.53159901 
           0.16716255       0.70732644       0.89578653 
           0.29482248       0.18788450       0.53608699 
           0.60767848       0.29679192       0.67731107 
           0.56896747       0.61899925       0.71520460 
           0.46748331       0.95228524       0.94019388 
           0.48105802       0.50838052       0.69964461 
           0.75514907       0.72501296       0.60586255 
           0.42320526       0.35653618       0.11201601 
           0.59466854       0.32657583       0.84650381 
           0.75301475       0.22553168       0.90058495 
           0.74709160       0.83063256       0.39681205 
           0.78634915       0.34202274       0.78132478 
           0.62685134       0.03254927       0.36114518 
           0.68153700       0.44671391       0.91162234 
           0.27206065       0.16917112       0.38032833 
           0.42507135       0.01670279       0.80287764 
           0.11357203       0.48194935       0.09650547 
           0.71705462       0.00463602       0.02566495 
           0.45745994       0.60670550       0.40444950 
           0.29497015       0.96833052       0.04720960 
           0.23346780       0.14360222       0.38672322 
           0.04379572       0.91643501       0.45309225 
           0.32577059       0.76484262       0.96649879 
           0.11769996       0.28849978       0.26728844 
           0.88863253       0.25753244       0.06760896 
           0.66613294       0.72301569       0.31609209 
           0.73055560       0.76510132       0.62102966 
   
  
  
           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 
   
  
  
          0.21492019       0.22351126       0.35145933 
          0.43708512       0.92789207       0.64572397 
          0.85745571       0.60680004       0.68378167 
          0.71201798       0.78257771       0.88461627 
          0.01389906       0.15802119       0.29281058 
          0.13223278       0.17994163       0.49240948 
          0.69406168       0.97235695       0.25789339 
          0.66353786       0.70249573       0.53159901 
          0.16716255       0.70732644       0.89578653 
          0.29482248       0.18788450       0.53608699 
          0.60767848       0.29679192       0.67731107 
          0.56896747       0.61899925       0.71520460 
          0.46748331       0.95228524       0.94019388 
          0.48105802       0.50838052       0.69964461 
          0.75514907       0.72501296       0.60586255 
          0.42320526       0.35653618       0.11201601 
          0.59466854       0.32657583       0.84650381 
          0.75301475       0.22553168       0.90058495 
          0.74709160       0.83063256       0.39681205 
          0.78634915       0.34202274       0.78132478 
          0.62685134       0.03254927       0.36114518 
          0.68153700       0.44671391       0.91162234 
          0.27206065       0.16917112       0.38032833 
          0.42507135       0.01670279       0.80287764 
          0.11357203       0.48194935       0.09650547 
          0.71705462       0.00463602       0.02566495 
          0.45745994       0.60670550       0.40444950 
          0.29497015       0.96833052       0.04720960 
          0.23346780       0.14360222       0.38672322 
          0.04379572       0.91643501       0.45309225 
          0.32577059       0.76484262       0.96649879 
          0.11769996       0.28849978       0.26728844 
          0.88863253       0.25753244       0.06760896 
          0.66613294       0.72301569       0.31609209 
          0.73055560       0.76510132       0.62102966 
  
 
 
  
       6.12    6.18
       6.64    6.71
   
         24.76344702 
       -621.43845556 
      -2221.20326395 
       -286.05040011 
       3170.77583059 
      -2609.60722799 
          0.00335789 
       -262.24453098 
       3755.32434067 
        950.32309759 
        950.31973970 
        950.32197829 
   
  
  
       7.66    7.72
       7.67    7.72
   
        265.42561661 
        265.43886791 
        265.43003371 
   
  
  
       9.36    9.43
       9.36    9.43
   
        121.66699398 
        121.68925280 
        121.67441359 
   
  
  
       7.96    8.01
       7.96    8.01
   
        111.27965621 
        111.30710678 
        111.28880640 
   
  
  
       8.13    8.19
       8.25    8.31
   
        110.75422544 
        110.77647541 
        110.76164210 
   
  
  
       8.16    8.24
       8.72    8.80
   
        150.92732033 
        150.92507202 
        150.92657089 
   
  
  
       8.55    8.60
       9.11    9.16
   
         48.49659642 
         48.50865007 
         48.50061430 
   
  
  
       7.48    7.56
       8.04    8.12
   
        187.09486741 
        187.07664827 
        187.08879436 
   
  
  
       7.50    7.55
       8.09    8.15
   
        179.32304884 
        179.33656372 
        179.32755380 
   
  
  
       7.52    7.59
       8.11    8.17
   
        180.51596901 
        180.46718324 
        180.49970709 
   
  
  
       7.44    7.49
       8.02    8.08
   
        186.03468815 
        186.00116363 
        186.02351331 
   
  
  
       7.94    7.99
       8.54    8.59
   
        185.36734820 
        185.38091187 
        185.37186942 
   
  
  
       7.99    8.05
       8.56    8.62
   
        127.40652411 
        127.41793923 
        127.41032915 
   
  
  
       6.20    6.25
       6.77    6.82
   
        118.47769072 
        118.45806782 
        118.47114976 
   
  
  
       7.43    7.51
       8.00    8.08
   
        111.04879587 
        111.04358380 
        111.04705851 
   
  
  
       6.96    7.01
       7.53    7.58
   
        111.49703646 
        111.50763800 
        111.50057030 
   
  
  
       6.37    6.42
       6.94    7.00
   
        113.43386587 
        113.45698385 
        113.44157187 
   
  
  
       7.37    7.44
       7.94    8.01
   
        133.16463663 
        133.19397379 
        133.17441569 
   
  
  
       7.40    7.46
       7.96    8.02
   
        134.35133347 
        134.33586645 
        134.34617779 
   
  
  
       7.66    7.71
       8.22    8.28
   
        151.57035149 
        151.59897989 
        151.57989429 
   
  
  
       7.42    7.47
       7.99    8.04
   
        163.11658021 
        163.15419478 
        163.12911840 
   
  
  
       7.68    7.75
       8.27    8.34
   
        170.87977681 
        170.89020351 
        170.88325237 
   
  
  
       6.90    6.96
       7.47    7.53
   
        171.43553007 
        171.44741707 
        171.43949240 
   
  
  
       8.41    8.48
       8.99    9.07
   
        171.35170018 
        171.36325071 
        171.35555036 
   
  
  
       7.67    7.73
       8.25    8.32
   
        171.28879813 
        171.30018708 
        171.29259445 
   
  
  
       6.43    6.50
       7.01    7.09
   
        171.06185293 
        171.06972234 
        171.06447607 
   
  
  
       6.11    6.17
       6.70    6.77
   
        172.39111880 
        172.40415391 
        172.39546384 
   
  
  
       6.75    6.82
       7.33    7.41
   
        175.54908263 
        175.58008744 
        175.55941756 
   
  
  
       7.45    7.50
       8.03    8.09
   
        175.82660669 
        175.85989015 
        175.83770118 
   
  
  
       5.25    5.31
       5.82    5.89
   
        176.25061762 
        176.28276300 
        176.26133275 
   
  
  
       4.90    4.95
       5.48    5.54
   
        176.73376193 
        176.77053260 
        176.74601882 
   
  
  
       4.88    4.94
       5.49    5.55
   
        176.21995485 
        176.25838355 
        176.23276441 
   
  
  
       4.78    4.84
       5.40    5.46
   
        184.64333296 
        184.67346297 
        184.65337630 
   
  
  
       5.32    5.38
       5.92    5.98
   
        201.40296957 
        201.41473368 
        201.40689094 
   
  
  
       5.48    5.53
       6.04    6.10
   
        202.26966642 
        202.29075599 
        202.27669628 
   
  
  
       3.92    3.98
       4.56    4.62
   
        205.15170183 
        205.16574433 
        205.15638266 
   
  
  
       3.91    3.97
       4.54    4.60
   
        205.36325797 
        205.37632726 
        205.36761440 
   
  
  
       4.17    4.22
       4.73    4.79
   
        205.34786139 
        205.36106700 
        205.35226326 
   
  
  
       3.72    3.78
       4.29    4.35
   
        204.77976707 
        204.79439472 
        204.78464295 
   
  
  
       3.52    3.58
       4.12    4.18
   
        204.28210073 
        204.29588261 
        204.28669469 
   
  
  
       3.82    3.87
       4.42    4.48
   
        201.85974343 
        201.87686330 
        201.86545005 
   
  
  
       2.98    3.04
       3.57    3.63
   
        202.50015549 
        202.51598722 
        202.50543274