vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 10 21 
  20:23:53 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.32000000      0.77000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           20.00000000       0.00000000       0.00000000 
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            0.00000000       0.00000000      15.00000000 
    
       4500.00000000 
    
            0.05000000       0.00000000       0.00000000 
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            0.00000000       0.00000000       0.06666667 
    
   
   
           0.33762480       0.40444969       0.95223485 
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           0.18698331       0.74386483       0.05908555 
           0.59831511       0.50984826       0.46160048 
           0.63895045       0.80178193       0.37530083 
           0.08124947       0.29541640       0.40609366 
           0.09291183       0.88093521       0.10598009 
           0.04923520       0.61053227       0.75513042 
           0.38937132       0.13559115       0.68643667 
           0.74322005       0.04653264       0.86629010 
           0.10127530       0.65238029       0.76286574 
           0.64314725       0.43970842       0.40426054 
           0.57889231       0.17484518       0.90380001 
           0.73833584       0.81801272       0.27560275 
           0.40982625       0.18963522       0.66289205 
           0.58414521       0.75704555       0.42677796 
           0.61186976       0.49704502       0.55835371 
           0.31178802       0.09647156       0.99116927 
           0.94951964       0.26856766       0.04404848 
           0.09426046       0.27425482       0.74203337 
           0.55217215       0.94566499       0.02358398 
           0.08327848       0.00323279       0.09139517 
           0.99147907       0.86974667       0.60105648 
           0.47110375       0.58619804       0.73066139 
           0.69518299       0.44087247       0.39898461 
           0.52805253       0.98453173       0.02439337 
           0.43795067       0.57736601       0.75381503 
           0.72209059       0.10600046       0.85409842 
           0.25810615       0.62748372       0.44414821 
           0.39466567       0.45220426       0.00758167 
           0.52739458       0.50765109       0.43066707 
           0.19489478       0.53875680       0.55826092 
           0.00798103       0.82727321       0.58215707 
           0.92261923       0.74952155       0.51838547 
           0.80003367       0.39973880       0.30706027 
           0.58991205       0.14668253       0.94496882 
           0.31861928       0.55721631       0.56993576 
           0.06021302       0.94747346       0.12595770 
           0.93611542       0.15717240       0.26695144 
           0.76893200       0.46141640       0.32377194 
           0.80405781       0.03837167       0.87973058 
           0.13979174       0.83140602       0.06815444 
           0.70318479       0.77865828       0.31392437 
   
  
  
           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 
          36 
          37 
          38 
          39 
          40 
          41 
          42 
          43 
  
 
 
  
          1        1        1 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       80
       -1
       -1
       111.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     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      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
           0.00000003
           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
   
  
  
       98
       80
       80
      196
      160
      160
    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      0.77000000
      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     12.01100000
         0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      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
        62.79069767
         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  
  
 
 
        43 
         4 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       5Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       7O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      25H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       6C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
   
  
 
 
  
   
          20.00000000       0.00000000       0.00000000 
           0.00000000      15.00000000       0.00000000 
           0.00000000       0.00000000      15.00000000 
   
      4500.00000000 
   
           0.05000000       0.00000000       0.00000000 
           0.00000000       0.06666667       0.00000000 
           0.00000000       0.00000000       0.06666667 
   
  
  
          0.33762480       0.40444969       0.95223485 
          0.25470484       0.59298085       0.53621137 
          0.18698331       0.74386483       0.05908555 
          0.59831511       0.50984826       0.46160048 
          0.63895045       0.80178193       0.37530083 
          0.08124947       0.29541640       0.40609366 
          0.09291183       0.88093521       0.10598009 
          0.04923520       0.61053227       0.75513042 
          0.38937132       0.13559115       0.68643667 
          0.74322005       0.04653264       0.86629010 
          0.10127530       0.65238029       0.76286574 
          0.64314725       0.43970842       0.40426054 
          0.57889231       0.17484518       0.90380001 
          0.73833584       0.81801272       0.27560275 
          0.40982625       0.18963522       0.66289205 
          0.58414521       0.75704555       0.42677796 
          0.61186976       0.49704502       0.55835371 
          0.31178802       0.09647156       0.99116927 
          0.94951964       0.26856766       0.04404848 
          0.09426046       0.27425482       0.74203337 
          0.55217215       0.94566499       0.02358398 
          0.08327848       0.00323279       0.09139517 
          0.99147907       0.86974667       0.60105648 
          0.47110375       0.58619804       0.73066139 
          0.69518299       0.44087247       0.39898461 
          0.52805253       0.98453173       0.02439337 
          0.43795067       0.57736601       0.75381503 
          0.72209059       0.10600046       0.85409842 
          0.25810615       0.62748372       0.44414821 
          0.39466567       0.45220426       0.00758167 
          0.52739458       0.50765109       0.43066707 
          0.19489478       0.53875680       0.55826092 
          0.00798103       0.82727321       0.58215707 
          0.92261923       0.74952155       0.51838547 
          0.80003367       0.39973880       0.30706027 
          0.58991205       0.14668253       0.94496882 
          0.31861928       0.55721631       0.56993576 
          0.06021302       0.94747346       0.12595770 
          0.93611542       0.15717240       0.26695144 
          0.76893200       0.46141640       0.32377194 
          0.80405781       0.03837167       0.87973058 
          0.13979174       0.83140602       0.06815444 
          0.70318479       0.77865828       0.31392437 
  
 
 
  
       1.77    1.84
       2.83    2.89
   
          9.57847877 
        500.09350112 
      -4241.95089577 
        263.91405269 
       3570.94830049 
      -3499.21096548 
          0.01535978 
       -651.60067657 
       4735.90026324 
        687.68741827 
        687.67205850 
        687.68229835 
   
  
  
       2.21    2.21
       2.21    2.21
   
         77.85148218 
         77.90351028 
         77.86882488 
   
  
  
       1.77    1.77
       1.77    1.77
   
       -154.11370819 
       -154.07144644 
       -154.09962094 
   
  
  
       1.71    1.71
       1.71    1.72
   
       -178.04614239 
       -177.98723350 
       -178.02650609 
   
  
  
       1.80    1.81
       1.99    2.00
   
       -178.99342912 
       -178.72920483 
       -178.90535435 
   
  
  
       1.24    1.25
       2.62    2.63
   
       -199.69405482 
       -199.67018378 
       -199.68609781 
   
  
  
       1.02    1.03
       2.19    2.20
   
       -161.62818835 
       -161.66481916 
       -161.64039862 
   
  
  
       1.30    1.30
       2.44    2.44
   
       -160.37071600 
       -160.22698213 
       -160.32280471 
   
  
  
       1.31    1.31
       2.54    2.54
   
       -159.69677921 
       -159.57376974 
       -159.65577605 
   
  
  
       1.26    1.26
       2.22    2.23
   
       -152.53711670 
       -152.51143391 
       -152.52855577 
   
  
  
       1.41    1.41
       2.44    2.44
   
       -151.92610725 
       -151.84852863 
       -151.90024771 
   
  
  
       1.34    1.34
       2.27    2.27
   
       -153.77920276 
       -153.52148816 
       -153.69329789 
   
  
  
       1.32    1.32
       2.42    2.42
   
       -150.44322826 
       -150.27289769 
       -150.38645140 
   
  
  
       1.32    1.33
       2.36    2.37
   
       -150.77385554 
       -150.74382123 
       -150.76384410 
   
  
  
       1.27    1.29
       2.41    2.43
   
       -149.85084541 
       -149.71983876 
       -149.80717653 
   
  
  
       1.29    1.30
       2.40    2.41
   
       -149.27246679 
       -149.24995489 
       -149.26496282 
   
  
  
       1.32    1.32
       2.39    2.39
   
       -148.80228809 
       -148.54171583 
       -148.71543067 
   
  
  
       1.40    1.40
       2.60    2.60
   
       -148.68922896 
       -148.14229818 
       -148.50691870 
   
  
  
       1.26    1.26
       2.35    2.36
   
       -149.18075346 
       -149.02808454 
       -149.12986382 
   
  
  
       1.35    1.35
       2.36    2.36
   
       -148.81229617 
       -148.35621053 
       -148.66026762 
   
  
  
       1.40    1.40
       2.45    2.45
   
       -148.62465443 
       -147.99711210 
       -148.41547366 
   
  
  
       1.24    1.24
       2.44    2.44
   
       -148.44616180 
       -147.85561329 
       -148.24931230 
   
  
  
       1.39    1.39
       2.48    2.48
   
       -148.74841305 
       -148.09131759 
       -148.52938123 
   
  
  
       1.35    1.35
       2.50    2.50
   
       -148.40111069 
       -147.87099841 
       -148.22440659 
   
  
  
       1.20    1.20
       2.34    2.35
   
       -148.48633643 
       -147.90838112 
       -148.29368466 
   
  
  
       1.24    1.25
       2.31    2.31
   
       -148.51186623 
       -147.92681713 
       -148.31684986 
   
  
  
       1.34    1.34
       2.60    2.60
   
       -148.62434559 
       -148.10809392 
       -148.45226170 
   
  
  
       1.16    1.17
       2.36    2.37
   
       -148.50176570 
       -147.78864574 
       -148.26405905 
   
  
  
       1.25    1.25
       2.45    2.45
   
       -148.57797181 
       -148.04523089 
       -148.40039151 
   
  
  
       1.09    1.09
       2.28    2.28
   
       -148.54763978 
       -147.86637429 
       -148.32055128 
   
  
  
       1.39    1.40
       2.53    2.55
   
       -148.58513527 
       -148.04215375 
       -148.40414143 
   
  
  
       1.34    1.34
       2.45    2.45
   
       -148.55926963 
       -147.87178882 
       -148.33010936 
   
  
  
       1.20    1.20
       2.35    2.35
   
       -148.55860514 
       -147.87249040 
       -148.32990023 
   
  
  
       1.28    1.28
       2.49    2.50
   
       -148.56355241 
       -147.90474853 
       -148.34395111 
   
  
  
       1.28    1.28
       2.41    2.41
   
       -148.56993820 
       -147.92473606 
       -148.35487082 
   
  
  
       1.39    1.40
       2.56    2.58
   
       -148.56932749 
       -147.91443162 
       -148.35102887 
   
  
  
       1.37    1.37
       2.67    2.68
   
       -148.57152263 
       -147.89369309 
       -148.34557945 
   
  
  
       1.26    1.26
       2.44    2.45
   
       -148.57494663 
       -147.90444567 
       -148.35144631 
   
  
  
       0.80    1.09
       1.90    2.20
   
       -148.57540552 
       -147.90426006 
       -148.35169036