vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 21 
  11:23:37 
 
 
  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      0.99000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           10.00000000       0.00000000       0.00000000 
            0.00000000      10.00000000       0.00000000 
            0.00000000       0.00000000      10.00000000 
    
       1000.00000000 
    
            0.10000000       0.00000000       0.00000000 
            0.00000000       0.10000000       0.00000000 
            0.00000000       0.00000000       0.10000000 
    
   
   
           0.39351131       0.59752426       0.48856590 
           0.54410282       0.49711107       0.51201358 
           0.36327449       0.63739316       0.29018406 
           0.40970990       0.77625554       0.58825904 
           0.22827913       0.50105489       0.56267420 
           0.53621912       0.33287904       0.43287764 
           0.60217588       0.48724971       0.50926609 
           0.54757348       0.43010615       0.55207967 
           0.49909984       0.23027736       0.40425086 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
  
 
 
  
          2        2        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       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 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.00000000 
          0.00000000       0.50000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.50000000 
  
  
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       21
       -1
       -1
        33.00000000
        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
     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
           0.00000012
           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
   
  
  
       50
       50
       50
      100
      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      0.99000000      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     35.45300000      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
        66.66666667
         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  
  
 
 
         9 
         4 
  
   ion
   element
   atomtype
   
    Si   1
    C    2
    Cl   3
    Cl   3
    Cl   3
    H    4
    H    4
    H    4
    H    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       3Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
       4H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          10.00000000       0.00000000       0.00000000 
           0.00000000      10.00000000       0.00000000 
           0.00000000       0.00000000      10.00000000 
   
      1000.00000000 
   
           0.10000000       0.00000000       0.00000000 
           0.00000000       0.10000000       0.00000000 
           0.00000000       0.00000000       0.10000000 
   
  
  
          0.39351131       0.59752426       0.48856590 
          0.54410282       0.49711107       0.51201358 
          0.36327449       0.63739316       0.29018406 
          0.40970990       0.77625554       0.58825904 
          0.22827913       0.50105489       0.56267420 
          0.53621912       0.33287904       0.43287764 
          0.60217588       0.48724971       0.50926609 
          0.54757348       0.43010615       0.55207967 
          0.49909984       0.23027736       0.40425086 
  
  
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
       2.85    2.92
       2.92    2.99
   
          4.26397464 
        313.91103687 
      -1504.17071859 
         73.55701976 
       1181.00862769 
      -1164.36146634 
          0.00021132 
       -185.45565105 
       1529.25839750 
        248.01143181 
        248.01122048 
        248.01136137 
   
  
  
       7.58    7.59
       7.58    7.59
   
         28.79113813 
         28.79452614 
         28.79226747 
   
  
  
       6.02    6.03
       6.02    6.03
   
        -25.80881860 
        -25.80237914 
        -25.80667211 
   
  
  
       6.32    6.33
       6.32    6.33
   
        -28.83088309 
        -28.81846500 
        -28.82674373 
   
  
  
       6.53    6.54
       6.57    6.59
   
        -28.88638459 
        -28.87412710 
        -28.88229876 
   
  
  
       6.00    6.01
       6.12    6.13
   
        -18.16000582 
        -18.10380995 
        -18.14127386 
   
  
  
       6.06    6.07
       6.18    6.19
   
        -17.62412198 
        -17.56782232 
        -17.60535542 
   
  
  
       7.01    7.02
       7.13    7.14
   
        -17.39440335 
        -17.33809648 
        -17.37563439 
   
  
  
       7.15    7.16
       7.27    7.29
   
        -17.37927137 
        -17.32296852 
        -17.36050376 
   
  
  
       6.84    6.85
       6.96    6.97
   
        -17.37304822 
        -17.31674719 
        -17.35428121 
   
  
  
       6.62    6.63
       6.74    6.76
   
        -17.37276084 
        -17.31645750 
        -17.35399306 
   
  
  
       7.29    7.30
       7.41    7.42
   
        -17.37279802 
        -17.31649390 
        -17.35402998 
   
  
  
       6.93    6.94
       7.05    7.06
   
        -17.37434409 
        -17.31804038 
        -17.35557618 
   
  
  
       6.85    6.87
       6.97    6.99
   
        -17.37598531 
        -17.31968124 
        -17.35721729 
   
  
  
       6.84    6.85
       6.96    6.97
   
        -17.37792930 
        -17.32162545 
        -17.35916135 
   
  
  
       7.07    7.08
       7.18    7.20
   
        -17.37924429 
        -17.32294107 
        -17.36047655 
   
  
  
       6.67    6.68
       6.79    6.80
   
        -17.37971984 
        -17.32341681 
        -17.36095216