vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 12 30 
  17:45:53 
 
 
  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      0.73000000      0.77000000      0.32000000
        2.00000000
       -0.00100000      0.01600000      0.01100000      0.00900000      0.00100000      1.27400000      0.00100000      0.00100000      0.00000000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      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
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           12.00000000       0.00000000       0.00000000 
            0.00000000      12.00000000       0.00000000 
            0.00000000       0.00000000      12.00000000 
    
       1728.00000000 
    
            0.08333333       0.00000000       0.00000000 
            0.00000000       0.08333333       0.00000000 
            0.00000000       0.00000000       0.08333333 
    
   
   
           0.52963140       0.38890278       0.47513208 
           0.57403025       0.45310780       0.36342977 
           0.59752669       0.43399075       0.58560285 
           0.54892010       0.25432623       0.46793841 
           0.39478404       0.41436171       0.48586011 
           0.29524183       0.67081473       0.65695881 
           0.51464731       0.52268575       0.28646125 
           0.59530543       0.60384654       0.23287277 
           0.60300849       0.55051912       0.61422583 
           0.63871207       0.56251777       0.73474798 
           0.65048648       0.19856499       0.43680227 
           0.72938789       0.18379164       0.53464650 
           0.32750021       0.37953438       0.57754060 
           0.22827114       0.45172200       0.58984077 
           0.47530613       0.46924493       0.22272028 
           0.44750273       0.56727504       0.33064289 
           0.55100152       0.65767090       0.17336668 
           0.66132207       0.55913404       0.18774056 
           0.63465078       0.65717820       0.29615058 
           0.66289130       0.59212265       0.55809314 
           0.52062815       0.58999911       0.60170974 
           0.64456669       0.65124765       0.75694320 
           0.72053825       0.52358606       0.74849303 
           0.57804492       0.52296609       0.79082654 
           0.62518948       0.11696118       0.40330544 
           0.69136332       0.24492634       0.36860899 
           0.80406741       0.13788205       0.50758976 
           0.68934246       0.13635342       0.60198081 
           0.75572600       0.26477276       0.56826912 
           0.37646119       0.37606575       0.65577509 
           0.17589778       0.44240587       0.66386823 
           0.19079231       0.48892334       0.51590788 
           0.27824715       0.58956874       0.63593703 
           0.29821288       0.29291632       0.56224718 
   
  
  
           1 
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           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 
  
 
 
  
          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
       64
       -1
       -1
        86.00000000
        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
   
   
         2
     F  
         -0.00100000      0.01600000      0.01100000      0.00900000      0.00100000      1.27400000      0.00100000      0.00100000      0.00000000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      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
          2.00000000
     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
           0.00000004
           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
       60
       60
      120
      120
      120
    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
  
  
        4
        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
        30.49411765
         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  
  
 
 
        34 
         4 
  
   ion
   element
   atomtype
   
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    C    3
    C    3
    C    3
    C    3
    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
    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                  
       5O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       8C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      20H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          12.00000000       0.00000000       0.00000000 
           0.00000000      12.00000000       0.00000000 
           0.00000000       0.00000000      12.00000000 
   
      1728.00000000 
   
           0.08333333       0.00000000       0.00000000 
           0.00000000       0.08333333       0.00000000 
           0.00000000       0.00000000       0.08333333 
   
  
  
          0.52963140       0.38890278       0.47513208 
          0.57403025       0.45310780       0.36342977 
          0.59752669       0.43399075       0.58560285 
          0.54892010       0.25432623       0.46793841 
          0.39478404       0.41436171       0.48586011 
          0.29524183       0.67081473       0.65695881 
          0.51464731       0.52268575       0.28646125 
          0.59530543       0.60384654       0.23287277 
          0.60300849       0.55051912       0.61422583 
          0.63871207       0.56251777       0.73474798 
          0.65048648       0.19856499       0.43680227 
          0.72938789       0.18379164       0.53464650 
          0.32750021       0.37953438       0.57754060 
          0.22827114       0.45172200       0.58984077 
          0.47530613       0.46924493       0.22272028 
          0.44750273       0.56727504       0.33064289 
          0.55100152       0.65767090       0.17336668 
          0.66132207       0.55913404       0.18774056 
          0.63465078       0.65717820       0.29615058 
          0.66289130       0.59212265       0.55809314 
          0.52062815       0.58999911       0.60170974 
          0.64456669       0.65124765       0.75694320 
          0.72053825       0.52358606       0.74849303 
          0.57804492       0.52296609       0.79082654 
          0.62518948       0.11696118       0.40330544 
          0.69136332       0.24492634       0.36860899 
          0.80406741       0.13788205       0.50758976 
          0.68934246       0.13635342       0.60198081 
          0.75572600       0.26477276       0.56826912 
          0.37646119       0.37606575       0.65577509 
          0.17589778       0.44240587       0.66386823 
          0.19079231       0.48892334       0.51590788 
          0.27824715       0.58956874       0.63593703 
          0.29821288       0.29291632       0.56224718 
  
 
 
  
       8.61    9.02
       9.00    9.42
   
         16.78333521 
       3630.16259866 
      -6441.82158225 
        280.63000435 
       2731.49483860 
      -2727.61980099 
          0.00635581 
       -565.00622382 
       3690.97217068 
        615.60169625 
        615.59534043 
        615.59957764 
   
  
  
      20.19   20.20
      20.19   20.20
   
        -24.92240476 
        -24.93378494 
        -24.92619815 
   
  
  
      17.13   17.16
      17.14   17.16
   
       -194.72631947 
       -194.68568896 
       -194.71277596 
   
  
  
      17.74   17.75
      17.74   17.75
   
       -202.55393693 
       -202.50362796 
       -202.53716728 
   
  
  
      18.87   18.88
      18.95   18.97
   
       -202.73500336 
       -202.68470459 
       -202.71823711 
   
  
  
      16.63   16.65
      17.09   17.11
   
       -187.61162942 
       -187.58302990 
       -187.60209624 
   
  
  
      17.18   17.19
      17.67   17.68
   
       -185.19620014 
       -185.21564318 
       -185.20268115 
   
  
  
      16.30   16.32
      16.77   16.79
   
       -184.74227919 
       -184.76195034 
       -184.74883624 
   
  
  
      16.17   16.19
      16.64   16.66
   
       -184.67754062 
       -184.69727235 
       -184.68411786 
   
  
  
      16.49   16.50
      16.95   16.97
   
       -184.68497264 
       -184.70513429 
       -184.69169319 
   
  
  
      16.01   16.02
      16.47   16.49
   
       -184.68365429 
       -184.70384899 
       -184.69038585 
   
  
  
      15.59   15.61
      16.05   16.07
   
       -184.68273182 
       -184.70292629 
       -184.68946331 
   
  
  
      15.82   15.83
      16.30   16.31
   
       -184.68614886 
       -184.70647548 
       -184.69292440 
   
  
  
      17.14   17.15
      17.62   17.63
   
       -184.68751001 
       -184.70788994 
       -184.69430332 
   
  
  
      15.22   15.23
      15.70   15.72
   
       -184.67892166 
       -184.69940630 
       -184.68574988 
   
  
  
      15.04   15.08
      15.53   15.56
   
       -184.66810462 
       -184.68852582 
       -184.67491168