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
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   F  
       1
 
 
  
   
    
           20.00000000       0.00000000       0.00000000 
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       4500.00000000 
    
            0.05000000       0.00000000       0.00000000 
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            0.00000000       0.00000000       0.06666667 
    
   
   
           0.71115262       0.18578086       0.56684569 
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           0.70045961       0.35450987       0.98586096 
           0.18801939       0.70798190       0.36944490 
           0.12478309       0.65033796       0.37074898 
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           0.68280719       0.44550272       0.01138330 
           0.23047644       0.14887672       0.14483172 
           0.29453334       0.92015115       0.10323631 
           0.28829705       0.16695013       0.68271957 
           0.29902403       0.84683796       0.40854639 
           0.49098398       0.38394021       0.44786348 
           0.57050793       0.97585469       0.50842250 
           0.22278310       0.39197362       0.65339768 
           0.30911493       0.78057034       0.14598975 
           0.60537289       0.10046749       0.59643386 
           0.78880189       0.69856460       0.89983034 
           0.02650601       0.31622772       0.17950830 
           0.89356977       0.45850750       0.72525413 
           0.81114433       0.74256257       0.44797650 
           0.21641719       0.26070071       0.76065740 
           0.58283954       0.74286932       0.43603633 
           0.74766190       0.27995808       0.45314381 
           0.55538628       0.71185901       0.42372466 
           0.02170972       0.28929992       0.54056714 
           0.25121790       0.12804304       0.66011879 
           0.88976505       0.74194219       0.12309382 
           0.21122063       0.31096245       0.75208225 
           0.67710466       0.07700913       0.51320877 
           0.02537814       0.34747786       0.21779055 
           0.81731217       0.66673109       0.89323177 
           0.95732789       0.57544410       0.13960919 
           0.97548031       0.99312612       0.07016836 
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           0.45295896       0.41475463       0.40922810 
           0.28636765       0.74509264       0.20391164 
           0.98105767       0.35272286       0.44735781 
   
  
  
           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
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    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 
   
  
  
          0.71115262       0.18578086       0.56684569 
          0.43132767       0.68744871       0.90313336 
          0.54646464       0.07597196       0.51467278 
          0.70045961       0.35450987       0.98586096 
          0.18801939       0.70798190       0.36944490 
          0.12478309       0.65033796       0.37074898 
          0.02662916       0.31327068       0.47925652 
          0.68280719       0.44550272       0.01138330 
          0.23047644       0.14887672       0.14483172 
          0.29453334       0.92015115       0.10323631 
          0.28829705       0.16695013       0.68271957 
          0.29902403       0.84683796       0.40854639 
          0.49098398       0.38394021       0.44786348 
          0.57050793       0.97585469       0.50842250 
          0.22278310       0.39197362       0.65339768 
          0.30911493       0.78057034       0.14598975 
          0.60537289       0.10046749       0.59643386 
          0.78880189       0.69856460       0.89983034 
          0.02650601       0.31622772       0.17950830 
          0.89356977       0.45850750       0.72525413 
          0.81114433       0.74256257       0.44797650 
          0.21641719       0.26070071       0.76065740 
          0.58283954       0.74286932       0.43603633 
          0.74766190       0.27995808       0.45314381 
          0.55538628       0.71185901       0.42372466 
          0.02170972       0.28929992       0.54056714 
          0.25121790       0.12804304       0.66011879 
          0.88976505       0.74194219       0.12309382 
          0.21122063       0.31096245       0.75208225 
          0.67710466       0.07700913       0.51320877 
          0.02537814       0.34747786       0.21779055 
          0.81731217       0.66673109       0.89323177 
          0.95732789       0.57544410       0.13960919 
          0.97548031       0.99312612       0.07016836 
          0.71841256       0.31783068       0.88370968 
          0.25440527       0.34966623       0.13109114 
          0.04838580       0.43714979       0.92421696 
          0.41273421       0.47427110       0.37723591 
          0.63387962       0.12430888       0.53183707 
          0.34791793       0.13419876       0.67635152 
          0.45295896       0.41475463       0.40922810 
          0.28636765       0.74509264       0.20391164 
          0.98105767       0.35272286       0.44735781 
  
 
 
  
       1.77    1.83
       2.82    2.89
   
          9.57847877 
        395.46395687 
      -4167.36941237 
        259.93141731 
       3570.94830049 
      -3499.21096548 
         -0.03140475 
       -578.63913134 
       4735.90026324 
        726.57150274 
        726.60290749 
        726.58197099 
   
  
  
       2.17    2.17
       2.17    2.17
   
        105.68300529 
        105.65625382 
        105.67408813 
   
  
  
       1.88    1.88
       1.88    1.88
   
       -144.00272976 
       -143.87962195 
       -143.96169382 
   
  
  
       1.64    1.64
       1.64    1.64
   
       -173.23523000 
       -173.07454848 
       -173.18166949 
   
  
  
       1.71    1.72
       1.90    1.92
   
       -173.97524816 
       -173.81731615 
       -173.92260415 
   
  
  
       1.31    1.31
       2.71    2.72
   
       -218.34099225 
       -218.17851132 
       -218.28683194 
   
  
  
       1.12    1.13
       2.15    2.16
   
       -144.60678915 
       -144.49294882 
       -144.56884237 
   
  
  
       1.28    1.29
       2.24    2.25
   
       -145.71527639 
       -145.54035000 
       -145.65696759 
   
  
  
       1.28    1.28
       2.43    2.44
   
       -150.00110648 
       -150.10810009 
       -150.03677102 
   
  
  
       1.22    1.23
       2.16    2.17
   
       -140.31244837 
       -140.31767522 
       -140.31419066 
   
  
  
       1.31    1.31
       2.30    2.31
   
       -137.12045840 
       -136.77545850 
       -137.00545843 
   
  
  
       1.56    1.56
       2.46    2.46
   
       -140.46369196 
       -140.47348785 
       -140.46695725 
   
  
  
       1.36    1.36
       2.31    2.31
   
       -140.08309956 
       -139.88900521 
       -140.01840144 
   
  
  
       1.36    1.36
       2.33    2.33
   
       -136.91368439 
       -136.70212924 
       -136.84316600 
   
  
  
       1.38    1.39
       2.44    2.44
   
       -137.90006971 
       -137.72091446 
       -137.84035130 
   
  
  
       1.23    1.23
       2.19    2.19
   
       -137.11855546 
       -137.17775665 
       -137.13828919 
   
  
  
       1.33    1.33
       2.45    2.45
   
       -136.25672929 
       -136.15831514 
       -136.22392457 
   
  
  
       1.18    1.18
       2.28    2.28
   
       -135.59970241 
       -135.06949084 
       -135.42296522 
   
  
  
       1.29    1.29
       2.29    2.30
   
       -135.66808051 
       -135.20561925 
       -135.51392675 
   
  
  
       1.36    1.36
       2.44    2.44
   
       -135.47946274 
       -134.94150337 
       -135.30014295 
   
  
  
       1.32    1.32
       2.41    2.41
   
       -135.42255962 
       -134.87767937 
       -135.24093287 
   
  
  
       1.15    1.15
       2.19    2.19
   
       -135.48375033 
       -135.00660143 
       -135.32470069 
   
  
  
       1.37    1.37
       2.58    2.58
   
       -135.39587132 
       -134.77825283 
       -135.18999849 
   
  
  
       1.27    1.28
       2.51    2.52
   
       -135.46966070 
       -134.76704096 
       -135.23545412 
   
  
  
       1.30    1.30
       2.49    2.49
   
       -135.43693780 
       -134.62238648 
       -135.16542069 
   
  
  
       1.19    1.19
       2.29    2.29
   
       -135.29988672 
       -134.53717852 
       -135.04565066 
   
  
  
       1.12    1.12
       2.39    2.39
   
       -135.41816316 
       -134.67880589 
       -135.17171074 
   
  
  
       1.25    1.26
       2.36    2.38
   
       -135.51961987 
       -134.77988327 
       -135.27304100 
   
  
  
       1.30    1.30
       2.48    2.48
   
       -135.32031120 
       -134.65470214 
       -135.09844151 
   
  
  
       1.23    1.23
       2.35    2.35
   
       -135.69164427 
       -135.31843070 
       -135.56723974 
   
  
  
       1.17    1.19
       2.44    2.46
   
       -135.37716409 
       -134.72572684 
       -135.16001834 
   
  
  
       1.31    1.31
       2.41    2.42
   
       -135.38334602 
       -134.68490219 
       -135.15053141 
   
  
  
       1.27    1.27
       2.41    2.42
   
       -135.41759187 
       -134.70899100 
       -135.18139158 
   
  
  
       1.12    1.12
       2.42    2.42
   
       -135.42002350 
       -134.72757297 
       -135.18920666 
   
  
  
       1.29    1.30
       2.40    2.42
   
       -135.43203613 
       -134.73417691 
       -135.19941639 
   
  
  
       1.39    1.40
       2.50    2.50
   
       -135.44279249 
       -134.70773904 
       -135.19777468 
   
  
  
       1.10    1.10
       2.35    2.35
   
       -135.44091559 
       -134.72777823 
       -135.20320313 
   
  
  
       1.29    1.30
       2.55    2.56
   
       -135.45091474 
       -134.74475671 
       -135.21552873 
   
  
  
       1.32    1.32
       2.60    2.60
   
       -135.45285898 
       -134.73085045 
       -135.21218947