vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 05 17 
  22:59:06 
 
 
  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 
    
   
   
           0.17567847       0.56772587       0.72806177 
           0.37983540       0.57882576       0.66831376 
           0.28234574       0.61494456       0.72988894 
           0.39375081       0.64618419       0.49906029 
           0.47467680       0.64179719       0.78609468 
           0.16687837       0.38124375       0.74295104 
           0.11817373       0.62800519       0.57302258 
           0.13242270       0.63114239       0.84672430 
           0.46154599       0.63009855       0.46006779 
           0.38068385       0.75402785       0.50175619 
           0.34645322       0.59979267       0.42980612 
           0.49835401       0.74231357       0.76604948 
           0.46447279       0.61212977       0.88963970 
           0.09653146       0.34964602       0.74635857 
           0.19927139       0.34451900       0.83446693 
           0.19806265       0.33078777       0.65709468 
           0.14737597       0.58414617       0.48212895 
           0.12145601       0.73741506       0.56341464 
           0.04705549       0.60016265       0.57449197 
           0.32966181       0.92392981       0.91400993 
           0.53012229       0.57785222       0.75548381 
           0.40357049       0.43599502       0.66761206 
   
  
  
           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
  
  
        3
        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 
   
  
  
          0.17567847       0.56772587       0.72806177 
          0.37983540       0.57882576       0.66831376 
          0.28234574       0.61494456       0.72988894 
          0.39375081       0.64618419       0.49906029 
          0.47467680       0.64179719       0.78609468 
          0.16687837       0.38124375       0.74295104 
          0.11817373       0.62800519       0.57302258 
          0.13242270       0.63114239       0.84672430 
          0.46154599       0.63009855       0.46006779 
          0.38068385       0.75402785       0.50175619 
          0.34645322       0.59979267       0.42980612 
          0.49835401       0.74231357       0.76604948 
          0.46447279       0.61212977       0.88963970 
          0.09653146       0.34964602       0.74635857 
          0.19927139       0.34451900       0.83446693 
          0.19806265       0.33078777       0.65709468 
          0.14737597       0.58414617       0.48212895 
          0.12145601       0.73741506       0.56341464 
          0.04705549       0.60016265       0.57449197 
          0.32966181       0.92392981       0.91400993 
          0.53012229       0.57785222       0.75548381 
          0.40357049       0.43599502       0.66761206 
  
  
     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 
  
 
 
  
       1.43    1.62
       1.98    2.17
   
          4.76039610 
       1398.23136209 
      -2379.88159465 
         95.20834497 
        988.89567318 
       -957.91857019 
         -0.01180628 
       -287.69365795 
       1414.08307395 
        275.67322122 
        275.68502750 
        275.67715665 
   
  
  
       2.44    2.50
       2.44    2.50
   
        -32.23118148 
        -32.22481892 
        -32.22906063 
   
  
  
       2.72    2.73
       2.72    2.73
   
       -117.28531128 
       -117.22928106 
       -117.26663454 
   
  
  
       2.62    2.62
       2.62    2.62
   
       -122.79821959 
       -122.74180475 
       -122.77941465 
   
  
  
       2.91    2.92
       2.97    2.98
   
       -122.95280750 
       -122.89638862 
       -122.93400120 
   
  
  
       2.26    2.27
       2.95    2.96
   
       -109.94796039 
       -109.89154150 
       -109.92915409 
   
  
  
       1.41    1.43
       1.90    1.93
   
       -108.41400165 
       -108.35758274 
       -108.39519535 
   
  
  
       2.49    2.51
       3.22    3.23
   
       -107.90226732 
       -107.84584839 
       -107.88346101 
   
  
  
       2.56    2.58
       3.77    3.78
   
       -107.74380491 
       -107.68738993 
       -107.72499992 
   
  
  
       2.60    2.61
       3.29    3.31
   
       -107.73249477 
       -107.67612520 
       -107.71370491 
   
  
  
       2.20    2.21
       2.79    2.81
   
       -107.72209034 
       -107.66790561 
       -107.70402876 
   
  
  
       2.25    2.26
       2.68    2.69
   
       -107.72223397 
       -107.67121094 
       -107.70522629 
   
  
  
       2.09    2.12
       2.46    2.49
   
       -107.72609838 
       -107.68428657 
       -107.71216111 
   
  
  
       2.52    2.57
       2.93    2.98
   
       -107.72602332 
       -107.68629373 
       -107.71278012 
   
  
  
       2.22    2.25
       2.80    2.83
   
       -107.72768761 
       -107.68201908 
       -107.71246476 
   
  
  
       2.09    2.13
       2.45    2.49
   
       -107.73173832 
       -107.68166658 
       -107.71504774