vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 12 06 
  13:13:11 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.77000000      1.11000000      0.32000000
       -0.00200000     -0.00100000      0.00100000      0.00000000      0.00000000      0.00100000     -0.00100000      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
      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
  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 
    
   
   
           0.45227891       0.34009994       0.54720047 
           0.19006174       0.44170848       0.42345970 
           0.39497691       0.64355132       0.52971708 
           0.45168863       0.48748381       0.27085553 
           0.72886022       0.48357777       0.58935258 
           0.70820165       0.23824152       0.40271061 
           0.37475875       0.47777988       0.44291597 
           0.63989180       0.32045380       0.55786892 
           0.41357794       0.35192774       0.65003511 
           0.41180931       0.24355188       0.51161223 
           0.66994092       0.22996270       0.67407156 
           0.17370219       0.34447010       0.37439421 
           0.14096682       0.51889883       0.36218878 
           0.13928240       0.43901840       0.52108742 
           0.35741549       0.72648462       0.47403022 
           0.54008974       0.71044485       0.54175338 
           0.35942656       0.64376895       0.63239933 
           0.39911731       0.56216281       0.20927993 
           0.44516761       0.39084186       0.21852217 
           0.55782896       0.51638123       0.27451358 
           0.71470663       0.55453136       0.50645059 
           0.83705182       0.46666645       0.60050279 
           0.69298504       0.53199963       0.68139680 
           0.81718364       0.22501417       0.41095914 
           0.68838555       0.29802920       0.31251239 
           0.66360017       0.13875694       0.38756939 
           0.70967316       0.90444963       0.55074714 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
  
 
 
  
          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
       40
       -1
       -1
        51.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
         -0.00200000     -0.00100000      0.00100000      0.00000000      0.00000000      0.00100000     -0.00100000      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
      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
         -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
           0.00000006
           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
   
  
  
       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
         0.77000000      1.11000000      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  
        12.01100000     28.08500000      1.00000000
         0.00000000      0.00000000      0.00000000
         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
        22.22222222
         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  
  
 
 
        27 
         3 
  
   ion
   element
   atomtype
   
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    Si   2
    Si   2
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       6C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      19H       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 
   
  
  
          0.45227891       0.34009994       0.54720047 
          0.19006174       0.44170848       0.42345970 
          0.39497691       0.64355132       0.52971708 
          0.45168863       0.48748381       0.27085553 
          0.72886022       0.48357777       0.58935258 
          0.70820165       0.23824152       0.40271061 
          0.37475875       0.47777988       0.44291597 
          0.63989180       0.32045380       0.55786892 
          0.41357794       0.35192774       0.65003511 
          0.41180931       0.24355188       0.51161223 
          0.66994092       0.22996270       0.67407156 
          0.17370219       0.34447010       0.37439421 
          0.14096682       0.51889883       0.36218878 
          0.13928240       0.43901840       0.52108742 
          0.35741549       0.72648462       0.47403022 
          0.54008974       0.71044485       0.54175338 
          0.35942656       0.64376895       0.63239933 
          0.39911731       0.56216281       0.20927993 
          0.44516761       0.39084186       0.21852217 
          0.55782896       0.51638123       0.27451358 
          0.71470663       0.55453136       0.50645059 
          0.83705182       0.46666645       0.60050279 
          0.69298504       0.53199963       0.68139680 
          0.81718364       0.22501417       0.41095914 
          0.68838555       0.29802920       0.31251239 
          0.66360017       0.13875694       0.38756939 
          0.70967316       0.90444963       0.55074714 
  
 
 
  
       7.93    8.08
       8.16    8.31
   
          9.50327992 
       1062.86438364 
      -1962.03315913 
        102.49857409 
        867.92310589 
       -836.32164448 
         -0.00848687 
       -317.55753675 
       1325.98885632 
        252.85737263 
        252.86585950 
        252.86020158 
   
  
  
       9.77    9.78
       9.77    9.78
   
        -81.38332748 
        -81.37743901 
        -81.38136466 
   
  
  
       9.29    9.30
       9.29    9.30
   
       -145.47021190 
       -145.48466447 
       -145.47502943 
   
  
  
       9.43    9.44
       9.43    9.44
   
       -149.03612960 
       -149.05127008 
       -149.04117643 
   
  
  
       9.83    9.84
       9.89    9.91
   
       -149.15345485 
       -149.16859855 
       -149.15850275 
   
  
  
       8.19    8.20
       8.46    8.48
   
       -130.79748908 
       -130.80328715 
       -130.79942177 
   
  
  
       9.36    9.37
       9.64    9.66
   
       -132.23449480 
       -132.24040835 
       -132.23646598 
   
  
  
       8.79    8.87