vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 10 21 
  20:23:51 
 
 
  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      0.32000000      0.77000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           20.00000000       0.00000000       0.00000000 
            0.00000000      15.00000000       0.00000000 
            0.00000000       0.00000000      15.00000000 
    
       4500.00000000 
    
            0.05000000       0.00000000       0.00000000 
            0.00000000       0.06666667       0.00000000 
            0.00000000       0.00000000       0.06666667 
    
   
   
           0.60542567       0.00118961       0.84740023 
           0.16723249       0.37213137       0.88053529 
           0.82926139       0.93662791       0.52478852 
           0.78726619       0.22949037       0.12046788 
           0.58212371       0.14030515       0.02115638 
           0.31831042       0.56219705       0.65784584 
           0.97624291       0.59814319       0.28010646 
           0.95417302       0.61262127       0.36492371 
           0.17603817       0.29970261       0.94896490 
           0.18004587       0.42155871       0.41152190 
           0.37585046       0.57922192       0.62498718 
           0.41715852       0.99667974       0.24063771 
           0.93091473       0.50652523       0.73939490 
           0.47898294       0.75956299       0.19298522 
           0.24386216       0.57787033       0.28550775 
           0.81267872       0.21098378       0.98277441 
           0.51016672       0.16808318       0.98709736 
           0.90748094       0.58348357       0.36923161 
           0.82310441       0.87289055       0.44640514 
           0.79719552       0.26100688       0.59102871 
           0.21627683       0.44273314       0.37212436 
           0.57274479       0.91133599       0.85503217 
           0.57664751       0.86267543       0.49513741 
           0.12486309       0.52597884       0.04503018 
           0.19306709       0.87178519       0.43834469 
           0.05601951       0.15646552       0.21184855 
           0.21302447       0.83433589       0.45841132 
           0.73587133       0.57473607       0.24026985 
           0.56401507       0.06013973       0.78692095 
           0.39101920       0.01171383       0.29486551 
           0.56015262       0.81971314       0.51143022 
           0.93504534       0.54389708       0.71130071 
           0.61469529       0.05025760       0.94070033 
           0.15877142       0.47599270       0.44213321 
           0.24642718       0.54133095       0.32490499 
           0.03293255       0.14009437       0.17291471 
           0.17834486       0.54758821       0.95383522 
           0.50883001       0.81260532       0.15383096 
           0.71489853       0.23397646       0.17529497 
           0.16402773       0.57499482       0.02164704 
           0.79119905       0.93445052       0.63025718 
           0.44988894       0.57066157       0.41387733 
           0.43333306       0.58841548       0.60349244 
   
  
  
           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 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
          37 
          38 
          39 
          40 
          41 
          42 
          43 
  
 
 
  
          1        1        1 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       80
       -1
       -1
       111.00000000
        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      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
           0.00000003
           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
   
  
  
       98
       80
       80
      196
      160
      160
    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      0.32000000      0.77000000
      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  
        28.08500000     16.00000000      1.00000000     12.01100000
         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
        62.79069767
         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  
  
 
 
        43 
         4 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    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
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       5Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       7O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      25H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       6C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
   
  
 
 
  
   
          20.00000000       0.00000000       0.00000000 
           0.00000000      15.00000000       0.00000000 
           0.00000000       0.00000000      15.00000000 
   
      4500.00000000 
   
           0.05000000       0.00000000       0.00000000 
           0.00000000       0.06666667       0.00000000 
           0.00000000       0.00000000       0.06666667 
   
  
  
          0.60542567       0.00118961       0.84740023 
          0.16723249       0.37213137       0.88053529 
          0.82926139       0.93662791       0.52478852 
          0.78726619       0.22949037       0.12046788 
          0.58212371       0.14030515       0.02115638 
          0.31831042       0.56219705       0.65784584 
          0.97624291       0.59814319       0.28010646 
          0.95417302       0.61262127       0.36492371 
          0.17603817       0.29970261       0.94896490 
          0.18004587       0.42155871       0.41152190 
          0.37585046       0.57922192       0.62498718 
          0.41715852       0.99667974       0.24063771 
          0.93091473       0.50652523       0.73939490 
          0.47898294       0.75956299       0.19298522 
          0.24386216       0.57787033       0.28550775 
          0.81267872       0.21098378       0.98277441 
          0.51016672       0.16808318       0.98709736 
          0.90748094       0.58348357       0.36923161 
          0.82310441       0.87289055       0.44640514 
          0.79719552       0.26100688       0.59102871 
          0.21627683       0.44273314       0.37212436 
          0.57274479       0.91133599       0.85503217 
          0.57664751       0.86267543       0.49513741 
          0.12486309       0.52597884       0.04503018 
          0.19306709       0.87178519       0.43834469 
          0.05601951       0.15646552       0.21184855 
          0.21302447       0.83433589       0.45841132 
          0.73587133       0.57473607       0.24026985 
          0.56401507       0.06013973       0.78692095 
          0.39101920       0.01171383       0.29486551 
          0.56015262       0.81971314       0.51143022 
          0.93504534       0.54389708       0.71130071 
          0.61469529       0.05025760       0.94070033 
          0.15877142       0.47599270       0.44213321 
          0.24642718       0.54133095       0.32490499 
          0.03293255       0.14009437       0.17291471 
          0.17834486       0.54758821       0.95383522 
          0.50883001       0.81260532       0.15383096 
          0.71489853       0.23397646       0.17529497 
          0.16402773       0.57499482       0.02164704 
          0.79119905       0.93445052       0.63025718 
          0.44988894       0.57066157       0.41387733 
          0.43333306       0.58841548       0.60349244 
  
 
 
  
       1.17    1.28
       2.17    2.28
   
          9.57847877 
        529.72344117 
      -4297.49012227 
        262.03477443 
       3570.94830049 
      -3499.21096548 
         -0.00663945 
       -568.11465063 
       4735.90026324 
        743.36288028 
        743.36951973 
        743.36509343 
   
  
  
       2.30    2.30
       2.30    2.31
   
        100.17178899 
        100.17539243 
        100.17299014 
   
  
  
       1.94    1.96
       1.94    1.96
   
       -147.64445286 
       -147.61088752 
       -147.63326442 
   
  
  
       1.76    1.77
       1.76    1.77
   
       -180.04884602 
       -179.97854418 
       -180.02541207 
   
  
  
       1.92    1.92
       2.04    2.05
   
       -181.50753779 
       -181.43871580 
       -181.48459713 
   
  
  
       1.24    1.24
       2.19    2.19
   
       -206.36454221 
       -206.24423284 
       -206.32443908 
   
  
  
       1.42    1.42
       2.74    2.75
   
       -163.81008056 
       -163.76048942 
       -163.79355018 
   
  
  
       1.22    1.23
       2.35    2.36
   
       -159.67963566 
       -159.48173228 
       -159.61366787 
   
  
  
       1.22    1.23
       2.21    2.22
   
       -157.07885677 
       -157.01571525 
       -157.05780959 
   
  
  
       1.38    1.38
       2.50    2.50
   
       -158.16212256 
       -158.26705111 
       -158.19709874 
   
  
  
       1.40    1.41
       2.42    2.43
   
       -155.18041677 
       -154.92669107 
       -155.09584154 
   
  
  
       1.51    1.51
       2.51    2.51
   
       -153.67888626 
       -153.40796592 
       -153.58857948 
   
  
  
       1.32    1.33
       2.30    2.32
   
       -154.32894658 
       -154.06266631 
       -154.24018649 
   
  
  
       1.37    1.38
       2.40    2.42
   
       -153.87610834 
       -153.81665640 
       -153.85629103 
   
  
  
       1.29    1.31
       2.43    2.45
   
       -152.86468744 
       -152.60356617 
       -152.77764702 
   
  
  
       1.32    1.32
       2.40    2.40
   
       -152.58484366 
       -152.38015538 
       -152.51661423 
   
  
  
       1.29    1.30
       2.46    2.48
   
       -152.27621235 
       -152.07298532 
       -152.20847000 
   
  
  
       1.19    1.19
       2.38    2.38
   
       -152.35789500 
       -152.23468945 
       -152.31682648 
   
  
  
       1.32    1.32
       2.43    2.43
   
       -152.30908015 
       -152.00734502 
       -152.20850177 
   
  
  
       1.40    1.41
       2.50    2.51
   
       -152.03471261 
       -151.56641631 
       -151.87861384 
   
  
  
       1.36    1.36
       2.43    2.44
   
       -152.09591860 
       -151.81082726 
       -152.00088815 
   
  
  
       1.31    1.32
       2.41    2.42
   
       -152.07820913 
       -151.59496733 
       -151.91712853 
   
  
  
       1.32    1.32
       2.56    2.56
   
       -152.02167365 
       -151.57326887 
       -151.87220539 
   
  
  
       1.25    1.25
       2.49    2.50
   
       -152.28554121 
       -151.99893871 
       -152.19000704 
   
  
  
       1.24    1.24
       2.39    2.40
   
       -152.02303751 
       -151.52480751 
       -151.85696084 
   
  
  
       1.31    1.32
       2.53    2.54
   
       -152.05826340 
       -151.65813826 
       -151.92488836 
   
  
  
       1.28    1.28
       2.55    2.55
   
       -152.04563754 
       -151.63485500 
       -151.90871003 
   
  
  
       1.29    1.29
       2.37    2.38
   
       -152.04926511 
       -151.59465987 
       -151.89773003 
   
  
  
       1.33    1.33
       2.42    2.42
   
       -152.06402108 
       -151.63234058 
       -151.92012758 
   
  
  
       1.19    1.19
       2.29    2.29
   
       -152.06165243 
       -151.64802470 
       -151.92377652 
   
  
  
       1.31    1.31
       2.54    2.55
   
       -152.06949938 
       -151.64655424 
       -151.92851766 
   
  
  
       1.28    1.30
       2.39    2.41
   
       -152.07259380 
       -151.66279042 
       -151.93599267 
   
  
  
       1.28    1.28
       2.42    2.42
   
       -152.07523147 
       -151.64862190 
       -151.93302828 
   
  
  
       1.27    1.27
       2.46    2.47
   
       -152.07853058 
       -151.65359078 
       -151.93688398 
   
  
  
       1.34    1.34
       2.38    2.38
   
       -152.07943598 
       -151.64042077 
       -151.93309758 
   
  
  
       1.36    1.36
       2.48    2.48
   
       -152.08029218 
       -151.64780682 
       -151.93613040 
   
  
  
       1.15    1.15
       2.34    2.34
   
       -152.08073867 
       -151.64694929 
       -151.93614221 
   
  
  
       1.25    1.25
       2.47    2.47
   
       -152.08137247 
       -151.64847201 
       -151.93707232 
   
  
  
       1.10    1.10
       2.34    2.34
   
       -152.08159290 
       -151.64777689 
       -151.93698757