vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 29 
  17:54:26 
 
 
  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 
    
   
   
           0.31554211       0.96171157       0.62364964 
           0.20094530       0.02432811       0.17595741 
           0.36831434       0.57339999       0.51209674 
           0.63737186       0.63758595       0.36214303 
           0.37155851       0.18930720       0.46447522 
           0.68043717       0.87015799       0.29101378 
           0.93571024       0.89243392       0.42502836 
           0.95618614       0.61297182       0.57497343 
           0.62556033       0.66959592       0.32471982 
           0.11315196       0.49180819       0.10195791 
           0.85299609       0.30692365       0.44174442 
           0.52087834       0.66539625       0.31835318 
           0.16000017       0.15697123       0.37819392 
           0.59811471       0.50379865       0.83685422 
           0.54070715       0.80323231       0.77210293 
           0.92308200       0.12542853       0.01384468 
           0.84738527       0.41858108       0.86585306 
           0.59178967       0.77738928       0.59600174 
           0.31687162       0.49737108       0.69074606 
           0.57180095       0.00273029       0.93292042 
           0.79320888       0.63506760       0.84083439 
           0.07910567       0.79407103       0.49149239 
   
  
  
           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 
   
  
  
          0.31554211       0.96171157       0.62364964 
          0.20094530       0.02432811       0.17595741 
          0.36831434       0.57339999       0.51209674 
          0.63737186       0.63758595       0.36214303 
          0.37155851       0.18930720       0.46447522 
          0.68043717       0.87015799       0.29101378 
          0.93571024       0.89243392       0.42502836 
          0.95618614       0.61297182       0.57497343 
          0.62556033       0.66959592       0.32471982 
          0.11315196       0.49180819       0.10195791 
          0.85299609       0.30692365       0.44174442 
          0.52087834       0.66539625       0.31835318 
          0.16000017       0.15697123       0.37819392 
          0.59811471       0.50379865       0.83685422 
          0.54070715       0.80323231       0.77210293 
          0.92308200       0.12542853       0.01384468 
          0.84738527       0.41858108       0.86585306 
          0.59178967       0.77738928       0.59600174 
          0.31687162       0.49737108       0.69074606 
          0.57180095       0.00273029       0.93292042 
          0.79320888       0.63506760       0.84083439 
          0.07910567       0.79407103       0.49149239 
  
 
 
  
       3.57    3.62
       3.85    3.91
   
         10.20627656 
        -45.21489088 
      -1860.35538364 
        168.68633070 
       1936.15224937 
      -1928.14668463 
          0.01726468 
       -348.80705371 
       2582.84965050 
        515.38775895 
        515.37049427 
        515.38200405 
   
  
  
       4.93    4.99
       4.93    4.99
   
        163.61773833 
        163.62986300 
        163.62177989 
   
  
  
       3.58    3.63
       3.58    3.63
   
         81.33496698 
         81.36587999 
         81.34527131 
   
  
  
       4.48    4.53
       4.49    4.54
   
         74.08515383 
         74.12998951 
         74.10009906 
   
  
  
       4.64    4.67
       4.69    4.72
   
         73.85013397 
         73.90207063 
         73.86744619 
   
  
  
       4.55    4.59
       4.83    4.87
   
         25.17250583 
         25.22287551 
         25.18929572 
   
  
  
       4.32    4.38
       4.56    4.62
   
       -120.82306164 
       -120.80656559 
       -120.81756296 
   
  
  
       2.63    2.69
       2.87    2.93
   
          8.26461159 
          8.34174689 
          8.29032336 
   
  
  
       2.50    2.55
       2.75    2.80
   
         52.52528436 
         52.47282227 
         52.50779699 
   
  
  
       2.51    2.57
       2.73    2.79
   
         66.62257057 
         66.63903666 
         66.62805927 
   
  
  
       2.04    2.08
       2.27    2.32
   
         83.01594073 
         83.07482153 
         83.03556766 
   
  
  
       2.00    2.04
       2.23    2.28
   
         90.06333869 
         90.05728260 
         90.06131999 
   
  
  
       2.04    2.07
       2.28    2.31
   
         94.89106261 
         94.96456211 
         94.91556245 
   
  
  
       2.39    2.65
       2.66    2.93
   
         95.68469154 
         95.76165243 
         95.71034517 
   
  
  
       4.01    4.07
       4.31    4.37
   
         94.49535731 
         94.56621697 
         94.51897720 
   
  
  
       4.31    4.37
       4.57    4.62
   
         96.86755997 
         96.91934883 
         96.88482292 
   
  
  
       4.44    4.49
       4.70    4.74
   
        101.35213845 
        101.41395200 
        101.37274297 
   
  
  
       4.08    4.13
       4.35    4.39
   
        102.80778734 
        102.89406744 
        102.83654737 
   
  
  
       3.95    4.01
       4.21    4.27
   
        103.06571726 
        103.14373903 
        103.09172452 
   
  
  
       4.24    4.30
       4.51    4.57
   
        105.98482570 
        106.04177619 
        106.00380920 
   
  
  
       4.39    4.44
       4.65    4.71
   
        106.35269473 
        106.37544253 
        106.36027733 
   
  
  
       3.99    4.04
       4.25    4.30
   
        106.37845462 
        106.40035947 
        106.38575624 
   
  
  
       4.84    4.89
       5.10    5.15
   
        106.37348722 
        106.39972411 
        106.38223285 
   
  
  
       5.08    5.13
       5.36    5.41
   
        106.44785003 
        106.45901681 
        106.45157229 
   
  
  
       3.84    3.90
       4.16    4.21
   
        106.46007261 
        106.46829455 
        106.46281325 
   
  
  
       4.79    4.83
       5.05    5.10
   
        106.37982287 
        106.41475460 
        106.39146678 
   
  
  
       4.27    4.31
       4.54    4.58
   
        106.73776872 
        106.72765451 
        106.73439731 
   
  
  
       4.72    4.77
       4.99    5.03
   
        104.47276796 
        104.54623203 
        104.49725598 
   
  
  
       4.30    4.35
       4.57    4.62
   
        104.17778003 
        104.27796624 
        104.21117543 
   
  
  
       4.29    4.33
       4.56    4.60
   
        104.29433133 
        104.40133496 
        104.32999921 
   
  
  
       4.75    4.78
       5.03    5.06
   
        103.52231700 
        103.58744053 
        103.54402485 
   
  
  
       4.09    4.17
       4.38    4.47
   
        103.95220950 
        104.01261076 
        103.97234325 
   
  
  
       4.73    4.76
       5.01    5.04
   
        104.07507175 
        104.13134064 
        104.09382805 
   
  
  
       3.30    3.35
       3.58    3.64
   
        104.05645841 
        104.11274935 
        104.07522206 
   
  
  
       2.57    2.60
       2.82    2.86
   
        103.95760346 
        104.01209552 
        103.97576748 
   
  
  
       1.40    1.53
       1.74    1.87
   
        104.22972279 
        104.27130589 
        104.24358382 
   
  
  
       0.61    0.64
       0.84    0.87
   
        104.59619124 
        104.68618023 
        104.62618757 
   
  
  
       0.75    0.78
       0.98    1.00
   
        102.76288319 
        102.80907482 
        102.77828040 
   
  
  
       0.56    0.59
       0.78    0.81
   
        103.03991906 
        103.09634320 
        103.05872711 
   
  
  
       0.71    0.74
       0.91    0.94
   
        106.28303080 
        106.47234300 
        106.34613486 
   
  
  
       0.61    0.63
       0.81    0.83
   
        106.79263661 
        107.02960714 
        106.87162679 
   
  
  
       0.67    0.69
       0.88    0.90
   
        106.27244537 
        106.44802687 
        106.33097253 
   
  
  
       0.56    0.65
       0.77    0.87
   
        106.36409121 
        106.54280577 
        106.42366273 
   
  
  
       0.97    1.26
       1.23    1.52
   
        107.14036218 
        107.33660453 
        107.20577630 
   
  
  
       2.13    2.16
       2.40    2.43
   
        108.53831090 
        108.65903119 
        108.57855099 
   
  
  
       2.79    2.82
       3.05    3.07
   
        108.49228883 
        108.52325965 
        108.50261243 
   
  
  
       2.63    2.65
       2.90    2.92
   
        108.05768350 
        108.21433548 
        108.10990082