vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 05 17 
  23:18:16 
 
 
  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      0.73000000      0.77000000      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 
    
   
   
           0.17585974       0.56430966       0.72504498 
           0.38361301       0.57650816       0.67462715 
           0.28131255       0.61428802       0.72353672 
           0.39976595       0.63536621       0.49805286 
           0.47644907       0.64884768       0.78133107 
           0.16881769       0.37752460       0.74116126 
           0.11540786       0.62201926       0.57070022 
           0.13281689       0.62766710       0.84469505 
           0.46693656       0.61095204       0.46079810 
           0.39087631       0.74426532       0.49043448 
           0.35063380       0.58764551       0.43222094 
           0.48221781       0.75725144       0.77801492 
           0.47540241       0.61585058       0.88478374 
           0.09874902       0.34512322       0.74739168 
           0.20301060       0.34198081       0.83167436 
           0.19905265       0.32718643       0.65457680 
           0.14398854       0.57782379       0.47957265 
           0.11764235       0.73133399       0.56028422 
           0.04470589       0.59236016       0.57504244 
           0.31530220       0.92725969       0.92140858 
           0.53498266       0.60631779       0.73422401 
           0.39306385       0.42745365       0.68139490 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
  
 
 
  
          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
       36
       -1
       -1
        45.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -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
     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
           0.00000007
           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      0.32000000
      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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000     12.01100000      1.00000000
         0.00000000      0.00000000      0.00000000      0.00000000
         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
        40.90909091
         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  
  
 
 
        22 
         4 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    O    2
    C    3
    C    3
    C    3
    C    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
   
  
  
   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                   
      15H       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 
   
  
  
          0.17585974       0.56430966       0.72504498 
          0.38361301       0.57650816       0.67462715 
          0.28131255       0.61428802       0.72353672 
          0.39976595       0.63536621       0.49805286 
          0.47644907       0.64884768       0.78133107 
          0.16881769       0.37752460       0.74116126 
          0.11540786       0.62201926       0.57070022 
          0.13281689       0.62766710       0.84469505 
          0.46693656       0.61095204       0.46079810 
          0.39087631       0.74426532       0.49043448 
          0.35063380       0.58764551       0.43222094 
          0.48221781       0.75725144       0.77801492 
          0.47540241       0.61585058       0.88478374 
          0.09874902       0.34512322       0.74739168 
          0.20301060       0.34198081       0.83167436 
          0.19905265       0.32718643       0.65457680 
          0.14398854       0.57782379       0.47957265 
          0.11764235       0.73133399       0.56028422 
          0.04470589       0.59236016       0.57504244 
          0.31530220       0.92725969       0.92140858 
          0.53498266       0.60631779       0.73422401 
          0.39306385       0.42745365       0.68139490 
  
  
     T  T  T 
     T  T  T 
     F  F  F 
     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 
     T  T  T 
     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
       2.47    2.52
       2.63    2.68
   
          4.76039610 
       1381.43059387 
      -2364.54581656 
         95.12453652 
        988.89567318 
       -957.91857019 
         -0.00456799 
       -276.49647962 
       1414.08307395 
        285.32883926 
        285.33340725 
        285.33036192 
   
  
  
       3.22    3.22
       3.22    3.22
   
        -31.16844644 
        -31.17807870 
        -31.17165720 
   
  
  
       2.96    2.96
       2.96    2.97
   
       -117.32417813 
       -117.26830637 
       -117.30555421 
   
  
  
       2.80    2.81
       2.81    2.81
   
       -122.91878331 
       -122.86236449 
       -122.89997704 
   
  
  
       3.07    3.07
       3.09    3.10
   
       -123.08846625 
       -123.03204735 
       -123.06965995 
   
  
  
       2.63    2.63
       2.82    2.82
   
       -110.15359578 
       -110.09717687 
       -110.13478948 
   
  
  
       2.89    2.89
       3.07    3.08
   
       -108.64081872 
       -108.58439980 
       -108.62201242 
   
  
  
       2.82    2.82
       3.00    3.00
   
       -108.12821184 
       -108.07179291 
       -108.10940553 
   
  
  
       2.78    2.78
       2.97    2.97
   
       -107.95942508 
       -107.90301559 
       -107.94062192 
   
  
  
       2.73    2.74
       2.92    2.92
   
       -107.94851429 
       -107.89218335 
       -107.92973731 
   
  
  
       2.48    2.48
       2.67    2.67
   
       -107.93597957 
       -107.88530517 
       -107.91908810 
   
  
  
       2.69    2.69
       2.89    2.89
   
       -107.93590674 
       -107.89378679 
       -107.92186676 
   
  
  
       2.77    2.77
       2.97    2.97
   
       -107.93551963 
       -107.89735575 
       -107.92279833 
   
  
  
       2.36    2.36
       2.55    2.55
   
       -107.93919661 
       -107.89369834 
       -107.92403052 
   
  
  
       2.28    2.29
       2.48    2.49
   
       -107.94405031 
       -107.89245776 
       -107.92685280 
   
  
  
       2.34    2.35
       2.54    2.54
   
       -107.95120750 
       -107.89538367 
       -107.93259956 
   
  
  
       2.48    2.48
       2.67    2.67
   
       -107.95830731 
       -107.90190684 
       -107.93950715 
   
  
  
       2.31    2.32
       2.50    2.51
   
       -107.95462975 
       -107.89848016 
       -107.93591322 
   
  
  
       2.40    2.40
       2.58    2.58
   
       -107.95267036 
       -107.89988035 
       -107.93507369 
   
  
  
       2.40    2.40
       2.58    2.59
   
       -107.95194578 
       -107.91351684 
       -107.93913614 
   
  
  
       2.37    2.38
       2.56    2.56
   
       -107.94540517 
       -107.92217105 
       -107.93766046 
   
  
  
       1.70    1.76
       1.90    1.97
   
       -107.94536658 
       -107.92212808 
       -107.93762041 
   
  
  
       1.19    1.21
       1.42    1.47
   
       -107.94512985 
       -107.92173506 
       -107.93733158 
   
  
  
       0.55    0.56
       0.73    0.74
   
       -107.94508608 
       -107.91165896 
       -107.93394371 
   
  
  
       0.43    0.74
       0.62    0.93
   
       -107.95256914 
       -107.92343752 
       -107.94285860 
   
  
  
       0.40    0.47
       0.58    0.65
   
       -107.95559676 
       -107.91511898 
       -107.94210417 
   
  
  
       0.37    0.37
       0.54    0.54
   
       -107.95703283 
       -107.91114824 
       -107.94173797 
   
  
  
       0.36    0.36
       0.54    0.54
   
       -107.95962135 
       -107.90467735 
       -107.94130668 
   
  
  
       0.31    0.31
       0.49    0.49
   
       -107.96278658 
       -107.90648199 
       -107.94401838 
   
  
  
       0.29    0.30
       0.47    0.48
   
       -107.96064978 
       -107.90493641 
       -107.94207865 
   
  
  
       0.35    0.35
       0.53    0.54
   
       -107.96081705 
       -107.90501046 
       -107.94221485 
   
  
  
       0.42    0.43
       0.61    0.61
   
       -107.96089690 
       -107.90505994 
       -107.94228458 
   
  
  
       0.22    0.22
       0.40    0.40
   
       -107.96043725 
       -107.90486463 
       -107.94191304 
   
  
  
       0.25    0.25
       0.43    0.43
   
       -107.95027153 
       -107.92745580 
       -107.94266629 
   
  
  
       0.29    0.40