vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  02:22:03 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.77000000      0.32000000
        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      0.00000000
      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
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      19.66310000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       1632.96160543 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.05085668       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.80715991       0.52064585       0.13301982 
           0.81461243       0.19888382       0.45103211 
           0.03905536       0.55630353       0.23518143 
           0.05581205       0.23259169       0.32165117 
           0.88095036       0.33871774       0.13537978 
           0.91148505       0.44242071       0.40757503 
           0.17911211       0.34615853       0.21926564 
           0.23635396       0.45849897       0.35298165 
           0.99339092       0.46855405       0.63278937 
           0.92357816       0.39243002       0.87228202 
           0.44568452       0.51213790       0.61305999 
           0.21746101       0.28526084       0.78427488 
           0.87361695       0.32305771       0.50220112 
           0.82283779       0.43636191       0.96326777 
           0.16735877       0.36334122       0.60028564 
           0.07304116       0.41470664       0.78782985 
           0.28123014       0.51469312       0.11741101 
           0.28516748       0.21979323       0.47680530 
           0.52884510       0.54857037       0.21820593 
           0.53834284       0.26109347       0.36922366 
           0.39364253       0.32375672       0.05766940 
           0.40568026       0.56931636       0.55195407 
           0.58715544       0.34379297       0.22524350 
           0.60075373       0.45317943       0.33775148 
           0.40663039       0.67438661       0.55312074 
           0.43356775       0.22890331       0.90142746 
           0.37346601       0.57727147       0.58068963 
           0.60566687       0.33189506       0.79764671 
           0.39964163       0.36466710       0.48758220 
           0.30217722       0.42293432       0.96188618 
           0.60045314       0.40449440       0.61943322 
           0.55920827       0.45285288       0.79288602 
           0.38552579       0.57250650       0.56939447 
           0.19292242       0.56567662       0.49555562 
           0.37138135       0.59394568       0.74690430 
           0.59642857       0.59968772       0.49607744 
           0.44444580       0.41171693       0.59184047 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
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          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
          37 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       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       0.00000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       87
       -1
       -1
       136.00000000
        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  
          0.00000000      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      0.00000000
      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
           0.00000003
           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
   
  
  
       40
       96
       54
       80
      192
      108
    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      0.32000000
      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
  
  
        1
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     12.01100000      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
        26.48045847
         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  
  
 
 
        37 
         3 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    C    2
    H    3
    H    3
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       4H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      19.66310000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      1632.96160543 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.05085668       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.80715991       0.52064585       0.13301982 
          0.81461243       0.19888382       0.45103211 
          0.03905536       0.55630353       0.23518143 
          0.05581205       0.23259169       0.32165117 
          0.88095036       0.33871774       0.13537978 
          0.91148505       0.44242071       0.40757503 
          0.17911211       0.34615853       0.21926564 
          0.23635396       0.45849897       0.35298165 
          0.99339092       0.46855405       0.63278937 
          0.92357816       0.39243002       0.87228202 
          0.44568452       0.51213790       0.61305999 
          0.21746101       0.28526084       0.78427488 
          0.87361695       0.32305771       0.50220112 
          0.82283779       0.43636191       0.96326777 
          0.16735877       0.36334122       0.60028564 
          0.07304116       0.41470664       0.78782985 
          0.28123014       0.51469312       0.11741101 
          0.28516748       0.21979323       0.47680530 
          0.52884510       0.54857037       0.21820593 
          0.53834284       0.26109347       0.36922366 
          0.39364253       0.32375672       0.05766940 
          0.40568026       0.56931636       0.55195407 
          0.58715544       0.34379297       0.22524350 
          0.60075373       0.45317943       0.33775148 
          0.40663039       0.67438661       0.55312074 
          0.43356775       0.22890331       0.90142746 
          0.37346601       0.57727147       0.58068963 
          0.60566687       0.33189506       0.79764671 
          0.39964163       0.36466710       0.48758220 
          0.30217722       0.42293432       0.96188618 
          0.60045314       0.40449440       0.61943322 
          0.55920827       0.45285288       0.79288602 
          0.38552579       0.57250650       0.56939447 
          0.19292242       0.56567662       0.49555562 
          0.37138135       0.59394568       0.74690430 
          0.59642857       0.59968772       0.49607744 
          0.44444580       0.41171693       0.59184047 
  
 
 
  
       6.38    6.39
       7.06    7.07
   
         24.95083145 
      11071.81241001 
     -11794.84517893 
       -281.84726355 
       2937.01645563 
      -2374.63634374 
          0.00118290 
        -53.26085113 
       3495.14563384 
       3024.33687647 
       3024.33569357 
       3024.33648217 
   
  
  
       7.54    7.54
       7.54    7.54
   
       2021.56847603 
       2021.57222961 
       2021.56972722 
   
  
  
       7.60    7.60
       7.60    7.60
   
       1536.98422173 
       1536.99811171 
       1536.98885172 
   
  
  
       6.98    6.98
       6.98    6.98
   
       1397.96162387 
       1397.96519847 
       1397.96281540 
   
  
  
       6.64    6.64
       6.75    6.75
   
       1359.32532237 
       1359.33335635 
       1359.32800036 
   
  
  
       5.91    5.91
       6.64    6.64
   
       1728.72889628 
       1728.72828455 
       1728.72869237