vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 06 
  18:51:40 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       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
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      25.32620000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       2103.26511137 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.03948480       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.99233438       0.46143127       0.04281306 
           0.00496284       0.54866675       0.44803862 
           0.23882171       0.45723936       0.17596246 
           0.24548325       0.52050608       0.33292545 
           0.99289675       0.23231785       0.42345068 
           0.24289675       0.23231785       0.30846528 
           0.99289675       0.30523521       0.05406782 
           0.24289675       0.30523521       0.17784814 
           0.99289675       0.38173934       0.42768027 
           0.24289675       0.38173934       0.30423569 
           0.99014993       0.46202856       0.54608708 
           0.98468057       0.54639977       0.95458899 
           0.23513313       0.45941837       0.68352108 
           0.22391006       0.53328479       0.82310194 
           0.24289675       0.23231785       0.80846528 
           0.99289675       0.30523521       0.55406782 
           0.24289675       0.30523521       0.67784814 
           0.99289675       0.38173934       0.92768027 
           0.24289675       0.38173934       0.80423569 
           0.49331110       0.45804529       0.05723574 
           0.51391934       0.53239454       0.43405790 
           0.75058334       0.45524734       0.17301653 
           0.77580700       0.51518130       0.33271219 
           0.49289675       0.23231785       0.42345068 
           0.74289675       0.23231785       0.30846528 
           0.49289675       0.30523521       0.05406782 
           0.74289675       0.30523521       0.17784814 
           0.49289675       0.38173934       0.42768027 
           0.74289675       0.38173934       0.30423569 
           0.48715883       0.45565688       0.55865901 
           0.48568543       0.53299850       0.93681497 
           0.74300925       0.45838890       0.67871745 
           0.74315876       0.52963724       0.82206718 
           0.49289675       0.23231785       0.92345068 
           0.74289675       0.23231785       0.80846528 
           0.74289675       0.30523521       0.67784814 
           0.49289675       0.38173934       0.92768027 
           0.74289675       0.38173934       0.80423569 
           0.18111061       0.64908227       0.74741856 
           0.60785232       0.62811455       0.61999983 
           0.23325426       0.58605920       0.73718136 
           0.53454229       0.58572228       0.51995174 
           0.31581476       0.67793716       0.61844899 
           0.60168077       0.74309825       0.76915140 
           0.40875028       0.70930229       0.63638898 
           0.25148501       0.68373774       0.52383285 
           0.23261453       0.66778701       0.87081821 
           0.79509332       0.63613418       0.56576749 
           0.98673604       0.65322188       0.73972412 
           0.69691171       0.58237887       0.73069796 
           0.70996542       0.76357071       0.81411835 
           0.85568075       0.73055151       0.74134081 
           0.56929168       0.75613927       0.67266731 
           0.50113173       0.72363081       0.83054260 
   
  
  
           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 
          44 
          45 
          46 
          47 
          48 
          49 
          50 
          51 
          52 
          53 
          54 
  
 
 
  
          3        1        2 
         0.00000000       0.00000000       0.00000000 
         0.33333333       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 
          0.33333333       0.00000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.33333333       0.00000000       0.50000000 
  
  
          0.16666667 
          0.33333333 
          0.16666667 
          0.33333333 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      123
       -1
       -1
       190.00000000
        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      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  
   
   
        60
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000002
           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
      126
       54
       80
      252
      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      0.73000000      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
  
  
        1
        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
        23.36961235
         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
       60
        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  
  
 
 
        54 
         4 
  
   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
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    O    2
    O    2
    C    3
    C    3
    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
   
      40Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      10H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      25.32620000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      2103.26511137 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.03948480       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.99233438       0.46143127       0.04281306 
          0.00496284       0.54866675       0.44803862 
          0.23882171       0.45723936       0.17596246 
          0.24548325       0.52050608       0.33292545 
          0.99289675       0.23231785       0.42345068 
          0.24289675       0.23231785       0.30846528 
          0.99289675       0.30523521       0.05406782 
          0.24289675       0.30523521       0.17784814 
          0.99289675       0.38173934       0.42768027 
          0.24289675       0.38173934       0.30423569 
          0.99014993       0.46202856       0.54608708 
          0.98468057       0.54639977       0.95458899 
          0.23513313       0.45941837       0.68352108 
          0.22391006       0.53328479       0.82310194 
          0.24289675       0.23231785       0.80846528 
          0.99289675       0.30523521       0.55406782 
          0.24289675       0.30523521       0.67784814 
          0.99289675       0.38173934       0.92768027 
          0.24289675       0.38173934       0.80423569 
          0.49331110       0.45804529       0.05723574 
          0.51391934       0.53239454       0.43405790 
          0.75058334       0.45524734       0.17301653 
          0.77580700       0.51518130       0.33271219 
          0.49289675       0.23231785       0.42345068 
          0.74289675       0.23231785       0.30846528 
          0.49289675       0.30523521       0.05406782 
          0.74289675       0.30523521       0.17784814 
          0.49289675       0.38173934       0.42768027 
          0.74289675       0.38173934       0.30423569 
          0.48715883       0.45565688       0.55865901 
          0.48568543       0.53299850       0.93681497 
          0.74300925       0.45838890       0.67871745 
          0.74315876       0.52963724       0.82206718 
          0.49289675       0.23231785       0.92345068 
          0.74289675       0.23231785       0.80846528 
          0.74289675       0.30523521       0.67784814 
          0.49289675       0.38173934       0.92768027 
          0.74289675       0.38173934       0.80423569 
          0.18111061       0.64908227       0.74741856 
          0.60785232       0.62811455       0.61999983 
          0.23325426       0.58605920       0.73718136 
          0.53454229       0.58572228       0.51995174 
          0.31581476       0.67793716       0.61844899 
          0.60168077       0.74309825       0.76915140 
          0.40875028       0.70930229       0.63638898 
          0.25148501       0.68373774       0.52383285 
          0.23261453       0.66778701       0.87081821 
          0.79509332       0.63613418       0.56576749 
          0.98673604       0.65322188       0.73972412 
          0.69691171       0.58237887       0.73069796 
          0.70996542       0.76357071       0.81411835 
          0.85568075       0.73055151       0.74134081 
          0.56929168       0.75613927       0.67266731 
          0.50113173       0.72363081       0.83054260 
  
  
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      12.85   12.98
      13.30   13.43
   
         40.50514279 
      17456.84496611 
     -22201.46847003 
       -276.24901399 
       4456.43530550 
      -3757.52896329 
          0.02231857 
       -234.09966242 
       5406.19701560 
        890.65863883 
        890.63632026 
        890.65119930 
   
  
  
      15.70   15.70
      15.70   15.70
   
       -137.52667086 
       -137.52523232 
       -137.52619135 
   
  
  
      16.55   16.55
      16.55   16.55
   
       -270.75930875 
       -270.78375709 
       -270.76745819 
   
  
  
      15.60   15.60
      15.60   15.60
   
       -275.70923161 
       -275.69143008 
       -275.70329777 
   
  
  
      17.01   17.01
      17.14   17.14
   
       -275.88833920 
       -275.86953781 
       -275.88207207 
   
  
  
      16.54   16.54
      17.10   17.10
   
       -264.63174298 
       -264.65369421 
       -264.63906006 
   
  
  
      15.16   15.16
      15.78   15.78
   
       -267.72994684 
       -267.69410376 
       -267.71799914 
   
  
  
      16.10   16.09
      16.66   16.66
   
       -263.30293801 
       -263.31267606 
       -263.30618403 
   
  
  
      15.67   15.67
      16.25   16.24
   
       -262.11495549 
       -262.13597198 
       -262.12196099 
   
  
  
      14.37   14.36
      14.91   14.91
   
       -261.94522114 
       -261.95971351 
       -261.95005193 
   
  
  
      14.01   14.01
      14.54   14.54
   
       -261.91916650 
       -261.93654125 
       -261.92495809 
   
  
  
      14.59   14.59
      15.10   15.09
   
       -261.91134693 
       -261.92189556 
       -261.91486314 
   
  
  
      15.17   15.17
      15.76   15.75
   
       -261.90333400 
       -261.89468692 
       -261.90045164