vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 29 
  14:21:15 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.77000000      1.11000000      0.73000000      0.75000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           30.00000000       0.00000000       0.00000000 
            0.00000000      20.00000000       0.00000000 
            0.00000000       0.00000000      15.00000000 
    
       9000.00000000 
    
            0.03333333       0.00000000       0.00000000 
            0.00000000       0.05000000       0.00000000 
            0.00000000       0.00000000       0.06666667 
    
   
   
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           0.17104837       0.53510258       0.24982410 
           0.36270056       0.53920908       0.36686356 
           0.45366317       0.47436915       0.36867179 
           0.37697202       0.42062408       0.49241036 
           0.60402259       0.57631051       0.43515435 
           0.63770878       0.72966360       0.43521746 
           0.63324174       0.41961397       0.43141944 
           0.56990198       0.32245423       0.36290839 
           0.56298244       0.36943264       0.55691911 
           0.28443490       0.52321822       0.19214144 
           0.30983107       0.50742229       0.36174519 
           0.19534387       0.56059294       0.15442841 
           0.13522495       0.59630800       0.27564427 
           0.60163101       0.58251040       0.32067189 
           0.62100705       0.49830693       0.45502380 
           0.63660926       0.71324550       0.32738822 
           0.68588059       0.76326607       0.45420983 
           0.39707281       0.47388473       0.41137548 
           0.34797671       0.46161156       0.57499225 
           0.48382211       0.55393424       0.36627801 
           0.58690975       0.37006655       0.44690549 
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           0.25881841       0.54260303       0.16059115 
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           0.24317788       0.37902276       0.23706367 
           0.11266760       0.46097131       0.18116469 
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           0.16219789       0.41543589       0.20790410 
           0.17747123       0.58357823       0.11203669 
           0.10737685       0.58430241       0.30212816 
           0.37590833       0.55787513       0.27409024 
           0.36169058       0.59691529       0.42577869 
           0.47830172       0.41669262       0.42336179 
           0.45511113       0.46632416       0.27365021 
           0.34601677       0.37223968       0.44666434 
           0.41798605       0.38787165       0.52609357 
           0.31560267       0.47497348       0.56169216 
           0.36631089       0.48927447       0.61832607 
           0.50403962       0.56945166       0.32304857 
           0.48261250       0.57631090       0.44068745 
           0.63582034       0.64062526       0.55616942 
           0.67029484       0.61401886       0.46227915 
           0.61474976       0.62809661       0.30216022 
           0.54130074       0.56789491       0.55599793 
           0.52816064       0.54514684       0.44527701 
           0.53010636       0.63839309       0.47129497 
           0.59266683       0.82573339       0.45228439 
           0.59475380       0.78147359       0.55547394 
           0.56163766       0.75092524       0.46663924 
           0.64380840       0.75268520       0.29211044 
           0.68794344       0.80180079       0.49699623 
           0.64510841       0.41861522       0.33324716 
           0.67214095       0.40227802       0.48445890 
           0.52709348       0.29090973       0.39376890 
           0.55996754       0.36493558       0.28081353 
           0.52605047       0.41658626       0.56012433 
           0.54632266       0.29829296       0.56643538 
           0.60470729       0.43462522       0.65703685 
           0.62501512       0.35675347       0.65441167 
           0.62810188       0.27015726       0.27911235 
           0.61294279       0.22151728       0.36469808 
   
  
  
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          61 
          62 
          63 
          64 
          65 
          66 
          67 
          68 
          69 
          70 
          71 
          72 
  
 
 
  
          1        1        1 
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         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
      129
       -1
       -1
       184.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -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      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
           0.00000002
           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
   
  
  
      150
       98
       80
      300
      196
      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
         0.77000000      1.11000000      0.73000000      0.75000000      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
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        12.01100000     28.08500000     16.00000000     14.00100000      1.00000000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      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
        75.00000000
         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  
  
 
 
        72 
         5 
  
   ion
   element
   atomtype
   
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    N    4
    N    4
    N    4
    N    4
    N    4
    N    4
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       6C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      10Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       8O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       6N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
      42H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          30.00000000       0.00000000       0.00000000 
           0.00000000      20.00000000       0.00000000 
           0.00000000       0.00000000      15.00000000 
   
      9000.00000000 
   
           0.03333333       0.00000000       0.00000000 
           0.00000000       0.05000000       0.00000000 
           0.00000000       0.00000000       0.06666667 
   
  
  
          0.21729643       0.52614245       0.33069538 
          0.26963381       0.39598359       0.28123689 
          0.13935419       0.45522003       0.23147943 
          0.63889989       0.64658435       0.48287917 
          0.54443680       0.58339532       0.48203692 
          0.59268155       0.77637556       0.48272445 
          0.27056255       0.48847801       0.28827193 
          0.17104837       0.53510258       0.24982410 
          0.36270056       0.53920908       0.36686356 
          0.45366317       0.47436915       0.36867179 
          0.37697202       0.42062408       0.49241036 
          0.60402259       0.57631051       0.43515435 
          0.63770878       0.72966360       0.43521746 
          0.63324174       0.41961397       0.43141944 
          0.56990198       0.32245423       0.36290839 
          0.56298244       0.36943264       0.55691911 
          0.28443490       0.52321822       0.19214144 
          0.30983107       0.50742229       0.36174519 
          0.19534387       0.56059294       0.15442841 
          0.13522495       0.59630800       0.27564427 
          0.60163101       0.58251040       0.32067189 
          0.62100705       0.49830693       0.45502380 
          0.63660926       0.71324550       0.32738822 
          0.68588059       0.76326607       0.45420983 
          0.39707281       0.47388473       0.41137548 
          0.34797671       0.46161156       0.57499225 
          0.48382211       0.55393424       0.36627801 
          0.58690975       0.37006655       0.44690549 
          0.59838651       0.38652662       0.64176916 
          0.60324095       0.25924668       0.32345416 
          0.20578866       0.49754119       0.38926564 
          0.22531241       0.57715028       0.35447707 
          0.25881841       0.54260303       0.16059115 
          0.26469695       0.37355197       0.34736660 
          0.30152275       0.37759526       0.25482215 
          0.24317788       0.37902276       0.23706367 
          0.11266760       0.46097131       0.18116469 
          0.12389512       0.43705698       0.29406469 
          0.16219789       0.41543589       0.20790410 
          0.17747123       0.58357823       0.11203669 
          0.10737685       0.58430241       0.30212816 
          0.37590833       0.55787513       0.27409024 
          0.36169058       0.59691529       0.42577869 
          0.47830172       0.41669262       0.42336179 
          0.45511113       0.46632416       0.27365021 
          0.34601677       0.37223968       0.44666434 
          0.41798605       0.38787165       0.52609357 
          0.31560267       0.47497348       0.56169216 
          0.36631089       0.48927447       0.61832607 
          0.50403962       0.56945166       0.32304857 
          0.48261250       0.57631090       0.44068745 
          0.63582034       0.64062526       0.55616942 
          0.67029484       0.61401886       0.46227915 
          0.61474976       0.62809661       0.30216022 
          0.54130074       0.56789491       0.55599793 
          0.52816064       0.54514684       0.44527701 
          0.53010636       0.63839309       0.47129497 
          0.59266683       0.82573339       0.45228439 
          0.59475380       0.78147359       0.55547394 
          0.56163766       0.75092524       0.46663924 
          0.64380840       0.75268520       0.29211044 
          0.68794344       0.80180079       0.49699623 
          0.64510841       0.41861522       0.33324716 
          0.67214095       0.40227802       0.48445890 
          0.52709348       0.29090973       0.39376890 
          0.55996754       0.36493558       0.28081353 
          0.52605047       0.41658626       0.56012433 
          0.54632266       0.29829296       0.56643538 
          0.60470729       0.43462522       0.65703685 
          0.62501512       0.35675347       0.65441167 
          0.62810188       0.27015726       0.27911235 
          0.61294279       0.22151728       0.36469808 
  
 
 
  
       6.17    6.17
      14.16   14.15
   
         12.76274539 
      15101.92263029 
     -20626.90717623 
        424.13792700 
       5623.99163154 
      -5473.38338495 
         -0.03803649 
      -1098.72328034 
       7482.47896021 
       1446.24201640 
       1446.28005289 
       1446.25469523 
   
  
  
       9.03    9.05
       9.03    9.05
   
        231.17528091 
        231.11966892 
        231.15674358 
   
  
  
       7.38    7.38
       7.39    7.38
   
       -355.49699831 
       -355.50859446 
       -355.50086369 
   
  
  
       7.11    7.11
       7.11    7.11
   
       -428.99950682 
       -429.01149015 
       -429.00350126 
   
  
  
       7.59    7.58
       8.53    8.53
   
       -430.71065333 
       -430.72269828 
       -430.71466831 
   
  
  
       4.52    4.53
      13.73   13.73
   
       -385.14420237 
       -385.15580001 
       -385.14806825 
   
  
  
       4.63    4.64
      13.49   13.49
   
       -381.75597451 
       -381.76757327 
       -381.75984076 
   
  
  
       6.36    6.37
      16.39   16.38
   
       -380.29919121 
       -380.31078727 
       -380.30305656 
   
  
  
       6.66    6.66
      17.50   17.48
   
       -379.73240222 
       -379.74399804 
       -379.73626749 
   
  
  
       7.29    7.29
      18.31   18.29
   
       -379.67366456 
       -379.68526037 
       -379.67752983 
   
  
  
       6.94    6.94
      18.30   18.28
   
       -379.63932377 
       -379.65091959 
       -379.64318904 
   
  
  
       6.86    6.87
      18.18   18.17
   
       -379.61872335 
       -379.63031916 
       -379.62258862 
   
  
  
       7.11    7.11
      18.33   18.31
   
       -379.61773435 
       -379.62933016 
       -379.62159962 
   
  
  
       5.81    5.85
      16.12   16.29
   
       -379.62882531 
       -379.64042112 
       -379.63269058