vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 05 09 
  23:48:31 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.77000000      0.82000000      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 
    
   
   
           0.20886780       0.54831117       0.70760402 
           0.41868772       0.52409572       0.64516603 
           0.31588911       0.56945422       0.67371691 
           0.42863868       0.46916611       0.46405875 
           0.49491257       0.66640385       0.68196327 
           0.18145618       0.36648948       0.72704216 
           0.14205838       0.62698147       0.57055849 
           0.45203238       0.36170472       0.74825446 
           0.19033910       0.61924051       0.83649798 
           0.49803049       0.44395877       0.43690876 
           0.40691797       0.55252129       0.39937944 
           0.38644217       0.38207627       0.44020406 
           0.47669213       0.75224028       0.61892795 
           0.56487621       0.63996076       0.66236940 
           0.48911241       0.69627311       0.78697752 
           0.10992312       0.35333673       0.74839225 
           0.21916280       0.32117503       0.80986211 
           0.19678501       0.30987490       0.63532849 
           0.15163549       0.57425109       0.47501026 
           0.16137067       0.73209658       0.55613076 
           0.07046072       0.62454689       0.59488675 
           0.53540172       0.33161479       0.73492012 
           0.40333991       0.28764111       0.80294710 
           0.66713843       0.43822396       0.85610320 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
  
 
 
  
          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
       39
       -1
       -1
        49.00000000
        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
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000006
           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      0.73000000      0.77000000      0.82000000      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     16.00000000     12.01100000     10.81100000      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
        37.50000000
         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
       60
        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  
  
 
 
        24 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    O    2
    C    3
    C    3
    C    3
    C    3
    B    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
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       4C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       1B      10.81100000      3.00000000  PAW_PBE B 06Sep2000                   
      16H       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 
   
  
  
          0.20886780       0.54831117       0.70760402 
          0.41868772       0.52409572       0.64516603 
          0.31588911       0.56945422       0.67371691 
          0.42863868       0.46916611       0.46405875 
          0.49491257       0.66640385       0.68196327 
          0.18145618       0.36648948       0.72704216 
          0.14205838       0.62698147       0.57055849 
          0.45203238       0.36170472       0.74825446 
          0.19033910       0.61924051       0.83649798 
          0.49803049       0.44395877       0.43690876 
          0.40691797       0.55252129       0.39937944 
          0.38644217       0.38207627       0.44020406 
          0.47669213       0.75224028       0.61892795 
          0.56487621       0.63996076       0.66236940 
          0.48911241       0.69627311       0.78697752 
          0.10992312       0.35333673       0.74839225 
          0.21916280       0.32117503       0.80986211 
          0.19678501       0.30987490       0.63532849 
          0.15163549       0.57425109       0.47501026 
          0.16137067       0.73209658       0.55613076 
          0.07046072       0.62454689       0.59488675 
          0.53540172       0.33161479       0.73492012 
          0.40333991       0.28764111       0.80294710 
          0.66713843       0.43822396       0.85610320 
  
  
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
       2.13    2.27
       2.85    2.98
   
          6.01222606 
       1487.93683094 
      -2529.19382973 
        103.54480137 
       1034.52956612 
      -1002.70602097 
         -0.00146094 
       -308.64322027 
       1497.73000548 
        289.20889806 
        289.21035899 
        289.20938504 
   
  
  
       3.92    3.93
       3.92    3.93
   
        -38.25277731 
        -38.22312434 
        -38.24289299 
   
  
  
       3.79    3.80
       3.79    3.80
   
       -127.04903352 
       -126.99302699 
       -127.03036468 
   
  
  
       3.65    3.66
       3.65    3.66
   
       -132.60599204 
       -132.55003475 
       -132.58733961 
   
  
  
       4.05    4.06
       4.10    4.11
   
       -132.77478066 
       -132.71884746 
       -132.75613626 
   
  
  
       2.83    2.84
       3.28    3.29
   
       -119.05785509 
       -119.00143616 
       -119.03904878 
   
  
  
       3.38    3.39
       3.75    3.77
   
       -117.32901539 
       -117.27261439 
       -117.31021506 
   
  
  
       3.32    3.34
       3.69    3.70
   
       -116.78552985 
       -116.73433858 
       -116.76846609 
   
  
  
       3.37    3.38
       3.73    3.74
   
       -116.65353093 
       -116.60560118 
       -116.63755435 
   
  
  
       3.11    3.13
       3.49    3.50
   
       -116.64363961 
       -116.59303403 
       -116.62677108 
   
  
  
       2.94    2.95
       3.38    3.39
   
       -116.64266945 
       -116.59666908 
       -116.62733599 
   
  
  
       3.04    3.05
       3.49    3.51
   
       -116.64511118 
       -116.59771909 
       -116.62931382 
   
  
  
       2.87    2.88
       3.30    3.32
   
       -116.65340176 
       -116.60717996 
       -116.63799449 
   
  
  
       3.19    3.20
       3.68    3.69
   
       -116.65521487 
       -116.60844709 
       -116.63962561 
   
  
  
       2.83    2.84
       3.45    3.46
   
       -116.65881452 
       -116.61226448 
       -116.64329784 
   
  
  
       2.54    2.56
       3.22    3.24
   
       -116.66169438 
       -116.61442685 
       -116.64593854 
   
  
  
       2.78    2.79
       3.22    3.24
   
       -116.66439233 
       -116.61740367 
       -116.64872944 
   
  
  
       2.93    2.94
       3.36    3.37
   
       -116.66512310 
       -116.61805611 
       -116.64943411 
   
  
  
       2.83    2.84
       3.23    3.24
   
       -116.66563995 
       -116.61855133 
       -116.64994374 
   
  
  
       2.84    2.86
       3.36    3.38
   
       -116.66570772 
       -116.61867243 
       -116.65002929 
   
  
  
       2.94    2.96
       3.48    3.51
   
       -116.66576768 
       -116.61874274 
       -116.65009270 
   
  
  
       2.37    2.38
       2.91    2.92
   
       -116.66579485 
       -116.61875683 
       -116.65011551