vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 06 
  12:35:45 
 
 
  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      0.77000000      0.75000000      0.73000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           15.00000000       0.00000000       0.00000000 
            0.00000000      10.00000000       0.00000000 
            0.00000000       0.00000000      10.00000000 
    
       1500.00000000 
    
            0.06666667       0.00000000       0.00000000 
            0.00000000       0.10000000       0.00000000 
            0.00000000       0.00000000       0.10000000 
    
   
   
           0.32417180       0.50133645       0.54372261 
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           0.39482176       0.55599968       0.40182905 
           0.48870654       0.77063445       0.67402357 
           0.22315521       0.64209556       0.70715582 
           0.56483422       0.16938987       0.38940226 
           0.59263745       0.20740154       0.63848714 
           0.22367713       0.26734325       0.58220951 
           0.19231014       0.40185372       0.37738456 
           0.24901507       0.37748346       0.49529808 
           0.56411426       0.26336039       0.50503027 
           0.53337120       0.67529476       0.59051118 
           0.28245287       0.64635717       0.59707218 
           0.59521584       0.49910773       0.43007162 
           0.42570529       0.48991447       0.75277681 
           0.43536332       0.34183626       0.65061105 
           0.39789624       0.65539634       0.35276203 
           0.41184691       0.48353228       0.32249520 
           0.42667968       0.81257574       0.62398139 
           0.53957212       0.84929238       0.69607289 
           0.46730360       0.72094817       0.76934593 
           0.25688378       0.61057754       0.80173636 
           0.20121247       0.74468147       0.72192466 
           0.16204089       0.58057205       0.68779876 
           0.64137784       0.14843471       0.37108734 
           0.52752406       0.22875976       0.30475105 
           0.53191345       0.07096837       0.41763787 
           0.57364327       0.27795274       0.72325345 
           0.66908563       0.18713677       0.63482845 
           0.56556001       0.10859995       0.65607497 
           0.26779959       0.26032987       0.67109593 
           0.22631884       0.17560112       0.52139103 
           0.15365820       0.27926046       0.61303202 
           0.19558537       0.31047175       0.31514519 
           0.21744831       0.48958498       0.32322204 
           0.12254974       0.41704596       0.41011229 
           0.64115877       0.59847443       0.42913953 
           0.61340854       0.33436593       0.49759595 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
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          13 
          14 
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          21 
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          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
          37 
          38 
          39 
  
 
 
  
          2        3        3 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.33333333       0.00000000 
         0.00000000       0.00000000       0.33333333 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.33333333       0.00000000 
          0.00000000       0.00000000       0.33333333 
          0.50000000       0.33333333       0.00000000 
          0.50000000       0.00000000       0.33333333 
          0.00000000       0.33333333       0.33333333 
          0.00000000      -0.33333333       0.33333333 
          0.50000000       0.33333333       0.33333333 
          0.50000000      -0.33333333       0.33333333 
  
  
          0.05555556 
          0.05555556 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
          0.11111111 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       66
       -1
       -1
        92.00000000
        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
     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
           0.00000004
           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
   
  
  
       80
       50
       50
      160
      100
      100
    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      0.77000000      0.75000000      0.73000000      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  
        28.08500000     12.01100000     14.00100000     16.00000000      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
        23.07692308
         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  
  
 
 
        39 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    N    3
    N    3
    O    4
    O    4
    O    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
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       8C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       2N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
       3O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      24H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          15.00000000       0.00000000       0.00000000 
           0.00000000      10.00000000       0.00000000 
           0.00000000       0.00000000      10.00000000 
   
      1500.00000000 
   
           0.06666667       0.00000000       0.00000000 
           0.00000000       0.10000000       0.00000000 
           0.00000000       0.00000000       0.10000000 
   
  
  
          0.32417180       0.50133645       0.54372261 
          0.50362930       0.53480308       0.50567300 
          0.41658944       0.44700487       0.64759524 
          0.39482176       0.55599968       0.40182905 
          0.48870654       0.77063445       0.67402357 
          0.22315521       0.64209556       0.70715582 
          0.56483422       0.16938987       0.38940226 
          0.59263745       0.20740154       0.63848714 
          0.22367713       0.26734325       0.58220951 
          0.19231014       0.40185372       0.37738456 
          0.24901507       0.37748346       0.49529808 
          0.56411426       0.26336039       0.50503027 
          0.53337120       0.67529476       0.59051118 
          0.28245287       0.64635717       0.59707218 
          0.59521584       0.49910773       0.43007162 
          0.42570529       0.48991447       0.75277681 
          0.43536332       0.34183626       0.65061105 
          0.39789624       0.65539634       0.35276203 
          0.41184691       0.48353228       0.32249520 
          0.42667968       0.81257574       0.62398139 
          0.53957212       0.84929238       0.69607289 
          0.46730360       0.72094817       0.76934593 
          0.25688378       0.61057754       0.80173636 
          0.20121247       0.74468147       0.72192466 
          0.16204089       0.58057205       0.68779876 
          0.64137784       0.14843471       0.37108734 
          0.52752406       0.22875976       0.30475105 
          0.53191345       0.07096837       0.41763787 
          0.57364327       0.27795274       0.72325345 
          0.66908563       0.18713677       0.63482845 
          0.56556001       0.10859995       0.65607497 
          0.26779959       0.26032987       0.67109593 
          0.22631884       0.17560112       0.52139103 
          0.15365820       0.27926046       0.61303202 
          0.19558537       0.31047175       0.31514519 
          0.21744831       0.48958498       0.32322204 
          0.12254974       0.41704596       0.41011229 
          0.64115877       0.59847443       0.42913953 
          0.61340854       0.33436593       0.49759595 
  
 
 
  
      11.81   11.89
      12.23   12.31
   
         21.59967643 
       3691.30480235 
      -6337.54555625 
        264.87146979 
       2545.15452263 
      -2522.51425245 
         -0.00322256 
       -559.31886519 
       3508.37606032 
        611.92463507 
        611.92785763 
        611.92570926 
   
  
  
      16.07   16.09
      16.07   16.09
   
        -69.65424348 
        -69.66330859 
        -69.65726518 
   
  
  
      13.58   13.61
      13.59   13.61
   
       -223.90734977 
       -223.93110745 
       -223.91526900 
   
  
  
      14.14   14.16
      14.14   14.16
   
       -231.20219675 
       -231.22789926 
       -231.21076425 
   
  
  
      15.70   15.72
      15.82   15.84
   
       -231.42275742 
       -231.44853000 
       -231.43134828 
   
  
  
      13.61   13.66
      14.01   14.07
   
       -211.93460881 
       -211.95792215 
       -211.94237993 
   
  
  
      14.36   14.43
      14.76   14.84
   
       -209.18135048 
       -209.19865630 
       -209.18711908 
   
  
  
      14.04   14.10
      14.43   14.51
   
       -208.35085550 
       -208.37504521 
       -208.35891874 
   
  
  
      14.50   14.57
      14.89   14.96
   
       -208.18557209 
       -208.21103078 
       -208.19405832 
   
  
  
      14.52   14.58
      14.99   15.05
   
       -208.16299107 
       -208.18753677 
       -208.17117297 
   
  
  
      14.98   15.03
      15.42   15.48
   
       -208.15547680 
       -208.18086115 
       -208.16393825 
   
  
  
      13.64   13.69
      14.04   14.10
   
       -208.14845616 
       -208.17370024 
       -208.15687085 
   
  
  
      13.11   13.19
      13.51   13.59
   
       -208.15244341 
       -208.17707164 
       -208.16065282 
   
  
  
      13.81   13.85
      14.21   14.24
   
       -208.15680784 
       -208.18219022 
       -208.16526863 
   
  
  
      12.74   12.80
      13.12   13.19
   
       -208.16261418 
       -208.18744553 
       -208.17089130 
   
  
  
      13.59   13.68
      14.02   14.11
   
       -208.16698387 
       -208.19204153 
       -208.17533642 
   
  
  
      13.32   13.37
      13.71   13.76
   
       -208.16999228 
       -208.19495606 
       -208.17831354 
   
  
  
      13.78   13.83
      14.17   14.21
   
       -208.17185943 
       -208.19686284 
       -208.18019390 
   
  
  
      13.26   13.30
      13.64   13.68
   
       -208.17276070 
       -208.19771444 
       -208.18107861 
   
  
  
      12.13   12.20
      12.52   12.59
   
       -208.17319623 
       -208.19815971 
       -208.18151739 
   
  
  
      11.26   11.32
      11.66   11.72
   
       -208.17342900 
       -208.19839005 
       -208.18174935 
   
  
  
      10.97   11.04
      11.35   11.42
   
       -208.17351306 
       -208.19848284 
       -208.18183632 
   
  
  
      10.75   10.80
      11.14   11.19
   
       -208.17355999 
       -208.19852834 
       -208.18188277 
   
  
  
      10.42   10.48
      10.81   10.87
   
       -208.17357532 
       -208.19854174 
       -208.18189746 
   
  
  
       7.66    7.81
       7.97    8.12
   
         21.59967643 
       3691.30480235 
      -6738.77511776 
        285.46670088 
       7578.29709256 
      -7558.10829602 
          0.02496698 
       -996.35946535 
       3508.37606032 
       -208.17357959 
       -208.19854657 
       -208.18190192