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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           0.15596051       0.53772682       0.22493835 
           0.34785127       0.54167376       0.33978707 
           0.43708720       0.47694631       0.34061026 
           0.36215268       0.42390429       0.46483974 
           0.61810888       0.57279695       0.45892127 
           0.65527398       0.72308255       0.46206709 
           0.64843199       0.41995545       0.45517822 
           0.58365454       0.31854487       0.38534736 
           0.57837639       0.36478862       0.57917568 
           0.26912351       0.52584611       0.16635548 
           0.29621267       0.51248881       0.33522198 
           0.18032401       0.56365773       0.13050489 
           0.12011839       0.59882276       0.25125607 
           0.61591079       0.58118032       0.34926242 
           0.63776727       0.49776769       0.48338887 
           0.65062378       0.71259129       0.35174766 
           0.70291516       0.76405439       0.47794499 
           0.38252546       0.47814437       0.38161777 
           0.33327755       0.46230234       0.54957783 
           0.45908021       0.55700483       0.34626630 
           0.60319633       0.36810409       0.47417336 
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           0.61856859       0.25592714       0.34797947 
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           0.22776034       0.38204683       0.21218344 
           0.09762445       0.46401152       0.15671013 
           0.10879017       0.44011600       0.26917055 
           0.14685917       0.41819310       0.18327343 
           0.16192121       0.58647111       0.08726960 
           0.09218848       0.58682270       0.27739714 
           0.36429494       0.56133296       0.24968755 
           0.34679402       0.60036963       0.40109773 
           0.46111232       0.42464206       0.39349220 
           0.43923276       0.45951744       0.24325902 
           0.33082979       0.37530598       0.42430335 
           0.40157291       0.39022875       0.50356007 
           0.30149212       0.47871541       0.53897635 
           0.34923787       0.49228779       0.59362111 
           0.48184473       0.57148841       0.30067480 
           0.46478308       0.57893349       0.40754568 
           0.65353034       0.63805141       0.58005321 
           0.69171431       0.61752263       0.49489437 
           0.62825841       0.62357980       0.32751453 
           0.56144783       0.56893338       0.58019471 
           0.53910238       0.54208202       0.47608659 
           0.54673539       0.62897387       0.49731847 
           0.60705028       0.82410611       0.47727982 
           0.60972560       0.77924116       0.58028448 
           0.57574945       0.74933936       0.49142032 
           0.65896574       0.74992340       0.31374856 
           0.70333141       0.79960310       0.52246952 
           0.66003958       0.41515496       0.35862331 
           0.68757600       0.39991262       0.51017886 
           0.54190649       0.28662169       0.41789980 
           0.57546719       0.36169781       0.30545295 
           0.54138129       0.41434870       0.58626460 
           0.56125583       0.29543410       0.59206704 
           0.62032742       0.43177544       0.68224314 
           0.64071088       0.35433403       0.68011766 
           0.64357742       0.26719610       0.30342876 
           0.62830665       0.21839013       0.38940545 
   
  
  
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          59 
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          61 
          62 
          63 
          64 
          65 
          66 
          67 
          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
         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  
  
 
 
        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 
   
  
  
          0.20259047       0.52916389       0.30591809 
          0.25451944       0.39895160       0.25672493 
          0.12423875       0.45793102       0.20680829 
          0.65769159       0.63659441       0.50695704 
          0.56113840       0.57897276       0.50809819 
          0.60779690       0.77372032       0.50713540 
          0.25633091       0.49212827       0.26384282 
          0.15596051       0.53772682       0.22493835 
          0.34785127       0.54167376       0.33978707 
          0.43708720       0.47694631       0.34061026 
          0.36215268       0.42390429       0.46483974 
          0.61810888       0.57279695       0.45892127 
          0.65527398       0.72308255       0.46206709 
          0.64843199       0.41995545       0.45517822 
          0.58365454       0.31854487       0.38534736 
          0.57837639       0.36478862       0.57917568 
          0.26912351       0.52584611       0.16635548 
          0.29621267       0.51248881       0.33522198 
          0.18032401       0.56365773       0.13050489 
          0.12011839       0.59882276       0.25125607 
          0.61591079       0.58118032       0.34926242 
          0.63776727       0.49776769       0.48338887 
          0.65062378       0.71259129       0.35174766 
          0.70291516       0.76405439       0.47794499 
          0.38252546       0.47814437       0.38161777 
          0.33327755       0.46230234       0.54957783 
          0.45908021       0.55700483       0.34626630 
          0.60319633       0.36810409       0.47417336 
          0.61397453       0.38366063       0.66707498 
          0.61856859       0.25592714       0.34797947 
          0.19090273       0.50030958       0.36418123 
          0.21034056       0.58015413       0.32992179 
          0.24345466       0.54536344       0.13518762 
          0.24941017       0.37625225       0.32258159 
          0.28624929       0.38008416       0.23004567 
          0.22776034       0.38204683       0.21218344 
          0.09762445       0.46401152       0.15671013 
          0.10879017       0.44011600       0.26917055 
          0.14685917       0.41819310       0.18327343 
          0.16192121       0.58647111       0.08726960 
          0.09218848       0.58682270       0.27739714 
          0.36429494       0.56133296       0.24968755 
          0.34679402       0.60036963       0.40109773 
          0.46111232       0.42464206       0.39349220 
          0.43923276       0.45951744       0.24325902 
          0.33082979       0.37530598       0.42430335 
          0.40157291       0.39022875       0.50356007 
          0.30149212       0.47871541       0.53897635 
          0.34923787       0.49228779       0.59362111 
          0.48184473       0.57148841       0.30067480 
          0.46478308       0.57893349       0.40754568 
          0.65353034       0.63805141       0.58005321 
          0.69171431       0.61752263       0.49489437 
          0.62825841       0.62357980       0.32751453 
          0.56144783       0.56893338       0.58019471 
          0.53910238       0.54208202       0.47608659 
          0.54673539       0.62897387       0.49731847 
          0.60705028       0.82410611       0.47727982 
          0.60972560       0.77924116       0.58028448 
          0.57574945       0.74933936       0.49142032 
          0.65896574       0.74992340       0.31374856 
          0.70333141       0.79960310       0.52246952 
          0.66003958       0.41515496       0.35862331 
          0.68757600       0.39991262       0.51017886 
          0.54190649       0.28662169       0.41789980 
          0.57546719       0.36169781       0.30545295 
          0.54138129       0.41434870       0.58626460 
          0.56125583       0.29543410       0.59206704 
          0.62032742       0.43177544       0.68224314 
          0.64071088       0.35433403       0.68011766 
          0.64357742       0.26719610       0.30342876 
          0.62830665       0.21839013       0.38940545 
  
 
 
  
       7.13    7.15
      16.53   16.55
   
         12.76274539 
      13798.20118428 
     -19318.04655202 
        423.66339732 
       5623.99163154 
      -5473.38338495 
          0.02680549 
      -1103.18227128 
       7482.47896021 
       1446.51251597 
       1446.48571049 
       1446.50358081 
   
  
  
       9.02    9.02
       9.05    9.05
   
        224.11309379 
        224.07714560 
        224.10111106 
   
  
  
       7.22    7.22
       7.23    7.23
   
       -362.91544593 
       -362.94878892 
       -362.92656026 
   
  
  
       7.22    7.22
       7.22    7.22
   
       -433.41585110 
       -433.45625449 
       -433.42931890 
   
  
  
       7.15    7.15
       8.09    8.09
   
       -434.99022045 
       -435.03081811 
       -435.00375300 
   
  
  
       6.34    6.34
      17.05   17.05
   
       -389.04645626 
       -389.10174341 
       -389.06488531 
   
  
  
       6.65    6.65
      17.06   17.06
   
       -385.59104363 
       -385.62760211 
       -385.60322979 
   
  
  
       5.17    5.17
      14.89   14.89
   
       -384.11698650 
       -384.16398580 
       -384.13265294 
   
  
  
       4.52    4.52
      14.68   14.68
   
       -383.55949308 
       -383.59693751 
       -383.57197456 
   
  
  
       5.16    5.17
      15.84   15.83
   
       -383.48869191 
       -383.52813326 
       -383.50183903 
   
  
  
       6.25    6.25
      17.37   17.35
   
       -383.46135286 
       -383.50794005 
       -383.47688192 
   
  
  
       7.06    7.07
      18.38   18.37
   
       -383.43827424 
       -383.49119548 
       -383.45591465 
   
  
  
       6.80    6.81
      18.15   18.14
   
       -383.42839952 
       -383.47718232 
       -383.44466045