vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 28 
  23:45:43 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       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 
    
   
   
           0.33019235       0.49528096       0.52650639 
           0.50511769       0.52241191       0.50747343 
           0.42449224       0.43747393       0.63658150 
           0.40667891       0.53955247       0.38599554 
           0.49486119       0.73087022       0.69591082 
           0.22867040       0.64804596       0.69280851 
           0.54688428       0.20938215       0.41644095 
           0.59541471       0.24095971       0.64813573 
           0.22769895       0.26326811       0.58009101 
           0.19434001       0.38481728       0.37644702 
           0.25297375       0.37148198       0.49137373 
           0.58066024       0.30288941       0.51704537 
           0.53347129       0.66670051       0.58367829 
           0.28475014       0.63898277       0.57857016 
           0.59869663       0.52317200       0.40826682 
           0.42699707       0.47166562       0.74084275 
           0.42874653       0.32792022       0.63753794 
           0.40150043       0.63836932       0.33839384 
           0.40742895       0.46325320       0.30647679 
           0.43049682       0.77680987       0.66960865 
           0.54138832       0.80934068       0.72918737 
           0.48414964       0.66067004       0.77967937 
           0.26398377       0.61836270       0.78520559 
           0.20721286       0.75281008       0.70326864 
           0.16889056       0.58439864       0.68224876 
           0.58532417       0.11516404       0.41243213 
           0.54832673       0.25683198       0.31736873 
           0.47713110       0.18442251       0.43969499 
           0.61607587       0.31706429       0.72149812 
           0.64583541       0.16015934       0.64487320 
           0.53277440       0.19654943       0.68431588 
           0.27523930       0.25496499       0.66339156 
           0.22685874       0.16678514       0.52565247 
           0.16003146       0.27738763       0.62267093 
           0.19204434       0.29069161       0.31833188 
           0.21813570       0.46475452       0.30976417 
           0.12488017       0.40873665       0.40579158 
           0.61443380       0.61517175       0.38771378 
           0.63744945       0.34820574       0.48206363 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
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          19 
          20 
          21 
          22 
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          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
          37 
          38 
          39 
  
 
 
  
          1        2        2 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.00000000       0.50000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       86
       -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
   
   
         2
     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
           0.00000003
           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
   
  
  
       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
  
  
        2
        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 
   
  
  
          0.33019235       0.49528096       0.52650639 
          0.50511769       0.52241191       0.50747343 
          0.42449224       0.43747393       0.63658150 
          0.40667891       0.53955247       0.38599554 
          0.49486119       0.73087022       0.69591082 
          0.22867040       0.64804596       0.69280851 
          0.54688428       0.20938215       0.41644095 
          0.59541471       0.24095971       0.64813573 
          0.22769895       0.26326811       0.58009101 
          0.19434001       0.38481728       0.37644702 
          0.25297375       0.37148198       0.49137373 
          0.58066024       0.30288941       0.51704537 
          0.53347129       0.66670051       0.58367829 
          0.28475014       0.63898277       0.57857016 
          0.59869663       0.52317200       0.40826682 
          0.42699707       0.47166562       0.74084275 
          0.42874653       0.32792022       0.63753794 
          0.40150043       0.63836932       0.33839384 
          0.40742895       0.46325320       0.30647679 
          0.43049682       0.77680987       0.66960865 
          0.54138832       0.80934068       0.72918737 
          0.48414964       0.66067004       0.77967937 
          0.26398377       0.61836270       0.78520559 
          0.20721286       0.75281008       0.70326864 
          0.16889056       0.58439864       0.68224876 
          0.58532417       0.11516404       0.41243213 
          0.54832673       0.25683198       0.31736873 
          0.47713110       0.18442251       0.43969499 
          0.61607587       0.31706429       0.72149812 
          0.64583541       0.16015934       0.64487320 
          0.53277440       0.19654943       0.68431588 
          0.27523930       0.25496499       0.66339156 
          0.22685874       0.16678514       0.52565247 
          0.16003146       0.27738763       0.62267093 
          0.19204434       0.29069161       0.31833188 
          0.21813570       0.46475452       0.30976417 
          0.12488017       0.40873665       0.40579158 
          0.61443380       0.61517175       0.38771378 
          0.63744945       0.34820574       0.48206363 
  
 
 
  
      11.47   11.52
      12.35   12.40
   
         21.59967643 
       3925.78690043 
      -6551.40282212 
        276.98959342 
       2535.09324019 
      -2512.33111915 
          0.00953479 
       -566.39149032 
       3508.37606032 
        637.72957399 
        637.72003920 
        637.72639573 
   
  
  
      14.99   15.00
      14.99   15.01
   
        -38.03870603 
        -38.04240631 
        -38.03993945 
   
  
  
      14.15   14.16
      14.15   14.16
   
       -180.23816063 
       -180.24414708 
       -180.24015611 
   
  
  
      14.31   14.32
      14.31   14.32
   
       -185.72207012 
       -185.72790430 
       -185.72401485 
   
  
  
      14.68   14.70
      14.82   14.84
   
       -185.82826181 
       -185.83409456 
       -185.83020606 
   
  
  
      12.63   12.65
      13.51   13.54
   
        -88.38766454 
        -88.39346301 
        -88.38959736 
   
  
  
      13.52   13.54
      14.33   14.36
   
       -146.94243930 
       -146.94823743 
       -146.94437201 
   
  
  
      13.33   13.35
      14.01   14.03
   
       -162.72258556 
       -162.72838737 
       -162.72451949 
   
  
  
      12.50   12.53
      13.17   13.20
   
       -189.24923982 
       -189.25865309 
       -189.25237758 
   
  
  
      12.91   12.93
      13.60   13.62
   
       -199.92574214 
       -199.93854546 
       -199.93000991 
   
  
  
      12.66   12.68
      13.28   13.30
   
       -205.34762963 
       -205.35773993 
       -205.35099973 
   
  
  
      12.18   12.20
      12.83   12.85
   
       -208.77900065 
       -208.79170014 
       -208.78323381 
   
  
  
      11.95   11.97
      12.48   12.50
   
       -209.75743831 
       -209.77036952 
       -209.76174871 
   
  
  
      12.17   12.19
      12.72   12.74
   
       -210.28473836 
       -210.29763373 
       -210.28903682 
   
  
  
      12.83   12.84
      13.42   13.43
   
       -210.33566881 
       -210.34849553 
       -210.33994438