vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 28 
  21:06:00 
 
 
  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
 
 
  
   
    
           12.00000000       0.00000000       0.00000000 
            0.00000000      10.00000000       0.00000000 
            0.00000000       0.00000000      10.00000000 
    
       1200.00000000 
    
            0.08333333       0.00000000       0.00000000 
            0.00000000       0.10000000       0.00000000 
            0.00000000       0.00000000       0.10000000 
    
   
   
           0.27061286       0.49499958       0.57667495 
           0.34345139       0.63273116       0.51631778 
           0.41019908       0.50785179       0.79665511 
           0.29592064       0.32730761       0.71654992 
           0.25179550       0.53378208       0.73133903 
           0.19299308       0.64297840       0.52678765 
           0.58006839       0.45418546       0.90229595 
           0.32614626       0.26018700       0.58616094 
           0.23113530       0.68161855       0.00368445 
           0.14673202       0.47383727       0.49643630 
           0.13535537       0.71752641       0.67457258 
           0.24338532       0.73944510       0.40599168 
           0.46253580       0.29129565       0.88884648 
           0.79008792       0.68349923       0.86132876 
           0.50383667       0.57071656       0.99657574 
           0.27047206       0.17924589       0.59561390 
           0.30505692       0.33599342       0.50344503 
           0.41881276       0.25223020       0.60648411 
           0.34729265       0.66762304       0.10547309 
           0.22868133       0.91631703       0.91608730 
           0.11339247       0.57648778       0.09579286 
           0.62901404       0.57922895       0.79173642 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
  
 
 
  
          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 
          0.50000000       0.00000000       0.50000000 
          0.00000000       0.50000000       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
       42
       -1
       -1
        57.00000000
        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
           0.00000006
           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
   
  
  
       60
       50
       50
      120
      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
        32.72727273
         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
    O    2
    O    2
    O    2
    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
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       4O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       4C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      13H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          12.00000000       0.00000000       0.00000000 
           0.00000000      10.00000000       0.00000000 
           0.00000000       0.00000000      10.00000000 
   
      1200.00000000 
   
           0.08333333       0.00000000       0.00000000 
           0.00000000       0.10000000       0.00000000 
           0.00000000       0.00000000       0.10000000 
   
  
  
          0.27061286       0.49499958       0.57667495 
          0.34345139       0.63273116       0.51631778 
          0.41019908       0.50785179       0.79665511 
          0.29592064       0.32730761       0.71654992 
          0.25179550       0.53378208       0.73133903 
          0.19299308       0.64297840       0.52678765 
          0.58006839       0.45418546       0.90229595 
          0.32614626       0.26018700       0.58616094 
          0.23113530       0.68161855       0.00368445 
          0.14673202       0.47383727       0.49643630 
          0.13535537       0.71752641       0.67457258 
          0.24338532       0.73944510       0.40599168 
          0.46253580       0.29129565       0.88884648 
          0.79008792       0.68349923       0.86132876 
          0.50383667       0.57071656       0.99657574 
          0.27047206       0.17924589       0.59561390 
          0.30505692       0.33599342       0.50344503 
          0.41881276       0.25223020       0.60648411 
          0.34729265       0.66762304       0.10547309 
          0.22868133       0.91631703       0.91608730 
          0.11339247       0.57648778       0.09579286 
          0.62901404       0.57922895       0.79173642 
  
 
 
  
       1.77    1.80
       1.98    2.00
   
         10.20627656 
       1293.12414731 
      -3409.37611255 
        173.90724238 
       1936.15224937 
      -1928.14668463 
         -0.01058637 
       -274.98315850 
       2582.84965050 
        383.72302406 
        383.73361043 
        383.72655285 
   
  
  
       2.30    2.32
       2.31    2.32
   
         32.08770678 
         32.09886787 
         32.09142714 
   
  
  
       1.98    2.00
       1.99    2.00
   
        -70.84545481 
        -70.81464503 
        -70.83518488 
   
  
  
       2.00    2.01
       2.00    2.02
   
        -80.73751762 
        -80.69827770 
        -80.72443764 
   
  
  
       2.03    2.05
       2.08    2.10
   
        -81.11996884 
        -81.08107781 
        -81.10700516 
   
  
  
       1.70    1.71
       1.92    1.94
   
        -95.23555562 
        -95.20033851 
        -95.22381659 
   
  
  
       1.67    1.69
       1.89    1.91
   
        -73.17306295 
        -73.14279034 
        -73.16297208 
   
  
  
       1.70    1.72
       1.91    1.94
   
        -71.95145169 
        -71.91900844 
        -71.94063727 
   
  
  
       1.95    1.99
       2.17    2.21
   
        -71.83477163 
        -71.79511978 
        -71.82155435 
   
  
  
       1.95    1.98
       2.17    2.20
   
        -71.51489758 
        -71.44800798 
        -71.49260105 
   
  
  
       2.03    2.06
       2.25    2.28
   
        -71.23893051 
        -71.12612292 
        -71.20132798 
   
  
  
       2.07    2.09
       2.29    2.32
   
        -71.22409039 
        -71.14304244 
        -71.19707440 
   
  
  
       2.14    2.16
       2.35    2.37
   
        -71.07612261 
        -70.93153417 
        -71.02792646 
   
  
  
       2.01    2.03
       2.23    2.26
   
        -71.12444442 
        -70.99929937 
        -71.08272940 
   
  
  
       2.04    2.08
       2.26    2.30
   
        -71.08090764 
        -70.92856921 
        -71.03012816 
   
  
  
       1.82    1.85
       2.04    2.07
   
        -71.08244790 
        -70.94507753 
        -71.03665778 
   
  
  
       1.87    1.90
       2.10    2.13
   
        -71.08458226 
        -70.93751111 
        -71.03555854 
   
  
  
       1.90    1.92
       2.14    2.16
   
        -71.08526271 
        -70.93955032 
        -71.03669192 
   
  
  
       1.74    1.76
       1.97    1.99
   
        -71.08531103 
        -70.93311786 
        -71.03457998 
   
  
  
       1.57    1.60
       1.80    1.82
   
        -71.08823089 
        -70.93788660 
        -71.03811612 
   
  
  
       1.79    1.81
       2.02    2.04
   
        -71.09103609 
        -70.94100263 
        -71.04102493 
   
  
  
       1.80    1.82
       2.03    2.06
   
        -71.09276007 
        -70.94158755 
        -71.04236923 
   
  
  
       1.68    1.71
       1.90    1.94
   
        -71.09435728 
        -70.94472770 
        -71.04448075 
   
  
  
       1.05    1.13
       1.28    1.36
   
        -71.09517944 
        -70.94495041 
        -71.04510310