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 
            0.00000000      15.00000000       0.00000000 
            0.00000000       0.00000000      15.00000000 
    
       4500.00000000 
    
            0.05000000       0.00000000       0.00000000 
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            0.00000000       0.00000000       0.06666667 
    
   
   
           0.77553897       0.84582117       0.67676210 
           0.81756005       0.95171568       0.76525751 
           0.94695313       0.01857117       0.37697306 
           0.22244180       0.51087496       0.33544697 
           0.68637747       0.02875499       0.14789855 
           0.16491640       0.52938819       0.39407569 
           0.00501986       0.27300761       0.65079502 
           0.44954369       0.39573154       0.28877385 
           0.55100421       0.98229855       0.52408724 
           0.66285943       0.45618288       0.56050573 
           0.94140870       0.71702328       0.09173128 
           0.29420177       0.46336015       0.32047192 
           0.46629460       0.40988301       0.22963571 
           0.20177480       0.94073096       0.28190903 
           0.15366690       0.49178406       0.74056552 
           0.70301233       0.06627980       0.35783175 
           0.58767754       0.36186421       0.78064491 
           0.00155857       0.41032679       0.12118187 
           0.93985955       0.52578093       0.57325969 
           0.59501958       0.30915346       0.13449237 
           0.95720689       0.26897418       0.63650547 
           0.31645535       0.17973058       0.01091472 
           0.52770695       0.23933024       0.67661071 
           0.72182726       0.10607269       0.19681822 
           0.34053773       0.44029175       0.31801533 
           0.66273233       0.53284028       0.01464841 
           0.72403725       0.08863264       0.39050298 
           0.16426633       0.00695742       0.63185869 
           0.98767496       0.60378984       0.00298672 
           0.67894305       0.67584078       0.32499628 
           0.02489879       0.22619399       0.99671919 
           0.64189217       0.40327959       0.53220624 
           0.57152730       0.32418747       0.80652137 
           0.62258536       0.30352175       0.09994126 
           0.12533643       0.49107926       0.77700971 
           0.50941678       0.85838518       0.88367223 
           0.94431680       0.77795806       0.06497734 
           0.01053701       0.35325114       0.07953970 
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           0.15253374       0.97937268       0.28983784 
           0.58442349       0.25032201       0.67529022 
           0.65594951       0.70967099       0.26339343 
           0.13456907       0.99459707       0.69657091 
   
  
  
           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 
   
  
  
          0.77553897       0.84582117       0.67676210 
          0.81756005       0.95171568       0.76525751 
          0.94695313       0.01857117       0.37697306 
          0.22244180       0.51087496       0.33544697 
          0.68637747       0.02875499       0.14789855 
          0.16491640       0.52938819       0.39407569 
          0.00501986       0.27300761       0.65079502 
          0.44954369       0.39573154       0.28877385 
          0.55100421       0.98229855       0.52408724 
          0.66285943       0.45618288       0.56050573 
          0.94140870       0.71702328       0.09173128 
          0.29420177       0.46336015       0.32047192 
          0.46629460       0.40988301       0.22963571 
          0.20177480       0.94073096       0.28190903 
          0.15366690       0.49178406       0.74056552 
          0.70301233       0.06627980       0.35783175 
          0.58767754       0.36186421       0.78064491 
          0.00155857       0.41032679       0.12118187 
          0.93985955       0.52578093       0.57325969 
          0.59501958       0.30915346       0.13449237 
          0.95720689       0.26897418       0.63650547 
          0.31645535       0.17973058       0.01091472 
          0.52770695       0.23933024       0.67661071 
          0.72182726       0.10607269       0.19681822 
          0.34053773       0.44029175       0.31801533 
          0.66273233       0.53284028       0.01464841 
          0.72403725       0.08863264       0.39050298 
          0.16426633       0.00695742       0.63185869 
          0.98767496       0.60378984       0.00298672 
          0.67894305       0.67584078       0.32499628 
          0.02489879       0.22619399       0.99671919 
          0.64189217       0.40327959       0.53220624 
          0.57152730       0.32418747       0.80652137 
          0.62258536       0.30352175       0.09994126 
          0.12533643       0.49107926       0.77700971 
          0.50941678       0.85838518       0.88367223 
          0.94431680       0.77795806       0.06497734 
          0.01053701       0.35325114       0.07953970 
          0.01966080       0.28409115       0.03580408 
          0.15253374       0.97937268       0.28983784 
          0.58442349       0.25032201       0.67529022 
          0.65594951       0.70967099       0.26339343 
          0.13456907       0.99459707       0.69657091 
  
 
 
  
       1.86    1.95
       2.98    3.07
   
          9.57847877 
       -165.02654505 
      -3617.36175582 
        258.08905967 
       3570.94830049 
      -3499.21096548 
         -0.00012772 
       -626.27511609 
       4735.90026324 
        666.64159201 
        666.64171973 
        666.64163459 
   
  
  
       2.31    2.33
       2.32    2.33
   
         83.19171095 
         83.19114038 
         83.19152076 
   
  
  
       1.84    1.84
       1.84    1.84
   
       -149.11820755 
       -149.22129366 
       -149.15256959 
   
  
  
       1.64    1.64
       1.64    1.65
   
       -177.02232134 
       -177.17275224 
       -177.07246497 
   
  
  
       1.48    1.48
       1.63    1.63
   
       -177.61505519 
       -177.73804894 
       -177.65605311 
   
  
  
       1.24    1.24
       2.67    2.67
   
       -216.97466702 
       -216.97276068 
       -216.97403157 
   
  
  
       1.02    1.02
       2.08    2.08
   
       -160.66216966 
       -160.66074855 
       -160.66169596 
   
  
  
       1.25    1.25
       2.40    2.41
   
       -152.06557372 
       -152.12886718 
       -152.08667154 
   
  
  
       1.31    1.31
       2.57    2.58
   
       -148.37110731 
       -148.04351561 
       -148.26191008 
   
  
  
       1.33    1.34
       2.30    2.31
   
       -144.81516784 
       -144.57166881 
       -144.73400150 
   
  
  
       1.33    1.33
       2.35    2.35
   
       -144.39888977 
       -144.28144302 
       -144.35974085 
   
  
  
       1.37    1.37
       2.30    2.31
   
       -145.56990570 
       -145.31256477 
       -145.48412539 
   
  
  
       1.32    1.32
       2.41    2.41
   
       -140.69947447 
       -140.63820839 
       -140.67905245 
   
  
  
       1.40    1.40
       2.39    2.41
   
       -140.13902049 
       -139.81404721 
       -140.03069607 
   
  
  
       1.28    1.28
       2.40    2.41
   
       -140.97404502 
       -140.66431960 
       -140.87080321 
   
  
  
       1.31    1.31
       2.34    2.35
   
       -139.70575426 
       -139.61573897 
       -139.67574916 
   
  
  
       1.34    1.35
       2.42    2.43
   
       -139.86326344 
       -139.53670564 
       -139.75441084 
   
  
  
       1.32    1.32
       2.54    2.54
   
       -140.18884816 
       -139.91279093 
       -140.09682909 
   
  
  
       1.23    1.23
       2.33    2.33
   
       -138.55891057 
       -138.25012472 
       -138.45598195 
   
  
  
       1.29    1.29
       2.32    2.32
   
       -137.69257961 
       -136.95717584 
       -137.44744502 
   
  
  
       1.29    1.29
       2.44    2.44
   
       -137.79964588 
       -136.90532161 
       -137.50153779 
   
  
  
       1.30    1.31
       2.40    2.41
   
       -137.46746194 
       -136.52478834 
       -137.15323741 
   
  
  
       1.28    1.28
       2.35    2.35
   
       -137.46420599 
       -136.58670249 
       -137.17170482 
   
  
  
       1.30    1.30
       2.50    2.50
   
       -137.73441899 
       -137.18734044 
       -137.55205948 
   
  
  
       1.30    1.30
       2.43    2.43
   
       -137.84933839 
       -137.33056423 
       -137.67641367 
   
  
  
       1.24    1.24
       2.26    2.26
   
       -137.51836330 
       -136.75195904 
       -137.26289521 
   
  
  
       1.22    1.22
       2.44    2.44
   
       -137.52388917 
       -136.67867170 
       -137.24215001 
   
  
  
       1.27    1.27
       2.34    2.34
   
       -137.53407392 
       -136.86506449 
       -137.31107078 
   
  
  
       1.28    1.28
       2.43    2.44
   
       -137.47385700 
       -136.78312534 
       -137.24361311 
   
  
  
       1.13    1.13
       2.25    2.25
   
       -137.48850158 
       -136.71247239 
       -137.22982518 
   
  
  
       1.33    1.33
       2.44    2.45
   
       -137.51429493 
       -136.57368807 
       -137.20075931 
   
  
  
       1.26    1.28
       2.28    2.30
   
       -137.65750496 
       -137.07325166 
       -137.46275386 
   
  
  
       1.21    1.22
       2.30    2.30
   
       -137.49225556 
       -136.64377288 
       -137.20942800 
   
  
  
       1.20    1.20
       2.28    2.28
   
       -137.56178162 
       -136.80332088 
       -137.30896137 
   
  
  
       1.33    1.34
       2.31    2.31
   
       -137.52043107 
       -136.73467713 
       -137.25851309 
   
  
  
       1.24    1.25
       2.28    2.28
   
       -137.53214175 
       -136.64420391 
       -137.23616247 
   
  
  
       1.18    1.18
       2.25    2.25
   
       -137.53903845 
       -136.71290105 
       -137.26365931 
   
  
  
       1.26    1.27
       2.44    2.45
   
       -137.54115469 
       -136.70980544 
       -137.26403827 
   
  
  
       1.25    1.25
       2.41    2.41
   
       -137.54253316 
       -136.68877892 
       -137.25794841 
   
  
  
       0.58    0.71
       1.79    1.95
   
       -137.54653819 
       -136.68387116 
       -137.25898251