vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 29 
  14:21:16 
 
 
  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 
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            0.00000000       0.00000000       0.06666667 
    
   
   
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           0.35049007       0.54118564       0.34402233 
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           0.36477890       0.42351371       0.46921864 
           0.61556156       0.57313983       0.45465521 
           0.65269062       0.72370082       0.45809034 
           0.64566125       0.42069731       0.45188517 
           0.58164796       0.31904089       0.38223155 
           0.57541123       0.36542028       0.57551142 
           0.27173505       0.52540695       0.17044975 
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           0.18295312       0.56320797       0.13459162 
           0.12294715       0.59835962       0.25539814 
           0.61361922       0.58139180       0.34465388 
           0.63512379       0.49835836       0.47921683 
           0.64848022       0.71303732       0.34732239 
           0.70026383       0.76448449       0.47366834 
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           0.33579455       0.46183473       0.55377138 
           0.46171424       0.55649171       0.35110496 
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           0.16461423       0.58598212       0.09143504 
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           0.36688584       0.56087723       0.25351029 
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           0.46373309       0.42408607       0.39791478 
           0.44175049       0.45927384       0.24791540 
           0.33325324       0.37463867       0.42831435 
           0.40410349       0.38971484       0.50763355 
           0.30396290       0.47828694       0.54318906 
           0.35187224       0.49171395       0.59763677 
           0.48443813       0.57111539       0.30491088 
           0.46765192       0.57853207       0.41187966 
           0.65098151       0.63866748       0.57599768 
           0.68899005       0.61794915       0.49062779 
           0.62571420       0.62413369       0.32347428 
           0.55878960       0.56928046       0.57572242 
           0.53618318       0.54263365       0.47186714 
           0.54404367       0.62958263       0.49308714 
           0.60438726       0.82445277       0.47328084 
           0.60723841       0.77955140       0.57562332 
           0.57326341       0.75000330       0.48739839 
           0.65642058       0.75038217       0.30975483 
           0.70077087       0.80031548       0.51861345 
           0.65759854       0.41556374       0.35367019 
           0.68512542       0.40008181       0.50611266 
           0.53914697       0.28701434       0.41354221 
           0.57269077       0.36228989       0.30086336 
           0.53892400       0.41473067       0.58177696 
           0.55872587       0.29580354       0.58760111 
           0.61764170       0.43034733       0.67708172 
           0.63725977       0.35591542       0.67525329 
           0.64119408       0.26803795       0.29863574 
           0.62567761       0.21865958       0.38573478 
   
  
  
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          64 
          65 
          66 
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          68 
          69 
          70 
          71 
          72 
  
 
 
  
          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
      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
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        -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 
   
  
  
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          0.65513945       0.63745990       0.50294731 
          0.55842271       0.57932380       0.50372870 
          0.60526594       0.77411549       0.50273367 
          0.25885902       0.49168428       0.26800629 
          0.15843073       0.53730686       0.22904979 
          0.35049007       0.54118564       0.34402233 
          0.43975009       0.47656429       0.34466556 
          0.36477890       0.42351371       0.46921864 
          0.61556156       0.57313983       0.45465521 
          0.65269062       0.72370082       0.45809034 
          0.64566125       0.42069731       0.45188517 
          0.58164796       0.31904089       0.38223155 
          0.57541123       0.36542028       0.57551142 
          0.27173505       0.52540695       0.17044975 
          0.29859265       0.51169976       0.33895530 
          0.18295312       0.56320797       0.13459162 
          0.12294715       0.59835962       0.25539814 
          0.61361922       0.58139180       0.34465388 
          0.63512379       0.49835836       0.47921683 
          0.64848022       0.71303732       0.34732239 
          0.70026383       0.76448449       0.47366834 
          0.38527820       0.47761078       0.38558336 
          0.33579455       0.46183473       0.55377138 
          0.46171424       0.55649171       0.35110496 
          0.60039012       0.36814494       0.46883314 
          0.61234563       0.38487049       0.66520076 
          0.61568107       0.25693778       0.34469840 
          0.19345436       0.49976959       0.36842048 
          0.21292088       0.57964411       0.33398931 
          0.24594478       0.54495911       0.13939377 
          0.25201032       0.37582765       0.32678453 
          0.28883219       0.37951368       0.23414524 
          0.23033683       0.38143793       0.21629561 
          0.10024856       0.46356683       0.16094724 
          0.11142477       0.43975516       0.27334683 
          0.14937050       0.41764907       0.18740589 
          0.16461423       0.58598212       0.09143504 
          0.09469625       0.58615589       0.28160150 
          0.36688584       0.56087723       0.25351029 
          0.34933945       0.59983534       0.40518238 
          0.46373309       0.42408607       0.39791478 
          0.44175049       0.45927384       0.24791540 
          0.33325324       0.37463867       0.42831435 
          0.40410349       0.38971484       0.50763355 
          0.30396290       0.47828694       0.54318906 
          0.35187224       0.49171395       0.59763677 
          0.48443813       0.57111539       0.30491088 
          0.46765192       0.57853207       0.41187966 
          0.65098151       0.63866748       0.57599768 
          0.68899005       0.61794915       0.49062779 
          0.62571420       0.62413369       0.32347428 
          0.55878960       0.56928046       0.57572242 
          0.53618318       0.54263365       0.47186714 
          0.54404367       0.62958263       0.49308714 
          0.60438726       0.82445277       0.47328084 
          0.60723841       0.77955140       0.57562332 
          0.57326341       0.75000330       0.48739839 
          0.65642058       0.75038217       0.30975483 
          0.70077087       0.80031548       0.51861345 
          0.65759854       0.41556374       0.35367019 
          0.68512542       0.40008181       0.50611266 
          0.53914697       0.28701434       0.41354221 
          0.57269077       0.36228989       0.30086336 
          0.53892400       0.41473067       0.58177696 
          0.55872587       0.29580354       0.58760111 
          0.61764170       0.43034733       0.67708172 
          0.63725977       0.35591542       0.67525329 
          0.64119408       0.26803795       0.29863574 
          0.62567761       0.21865958       0.38573478 
  
 
 
  
       7.89    7.90
      17.33   17.33
   
         12.76274539 
      13990.94110458 
     -19507.48419661 
        423.81406041 
       5623.99163154 
      -5473.38338495 
          0.00557419 
      -1103.37666058 
       7482.47896021 
       1449.74983418 
       1449.74425999 
       1449.74797611 
   
  
  
       9.57    9.57
       9.59    9.59
   
        225.07044797 
        225.01319916 
        225.05136503 
   
  
  
       8.00    8.00
       8.01    8.01
   
       -362.88067467 
       -362.91111690 
       -362.89082208 
   
  
  
       7.39    7.39
       7.40    7.39
   
       -433.35524213 
       -433.39826958 
       -433.36958461 
   
  
  
       7.01    7.00
       8.28    8.28
   
       -434.91959272 
       -434.96302944 
       -434.93407163 
   
  
  
       6.82    6.82
      17.97   17.96
   
       -388.68066476 
       -388.73149500 
       -388.69760818 
   
  
  
       7.57    7.57
      18.71   18.69
   
       -385.22642198 
       -385.26500711 
       -385.23928369 
   
  
  
       7.35    7.35
      18.34   18.33
   
       -383.77428473 
       -383.81807353 
       -383.78888100 
   
  
  
       7.24    7.26
      18.48   18.49
   
       -383.21137607 
       -383.24881631 
       -383.22385615 
   
  
  
       7.04    7.06
      18.38   18.38
   
       -383.14543144 
       -383.18781345 
       -383.15955878 
   
  
  
       7.26    7.27
      18.60   18.59
   
       -383.12626737 
       -383.16681674 
       -383.13978383 
   
  
  
       7.33    7.33
      18.55   18.54
   
       -383.09486832 
       -383.14721869 
       -383.11231844