vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 06 
  18:51:41 
 
 
  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 
    
   
   
           0.99592034       0.46535936       0.04920662 
           0.01310726       0.55033715       0.45121216 
           0.24517655       0.46048055       0.18162841 
           0.25770810       0.52358890       0.34077064 
           0.99822419       0.23591385       0.43023220 
           0.24822419       0.23591385       0.31524680 
           0.99822419       0.30883121       0.06084934 
           0.24822419       0.30883121       0.18462966 
           0.99822419       0.38533534       0.43446179 
           0.24822419       0.38533534       0.31101721 
           0.99473684       0.46513832       0.55187806 
           0.99015925       0.55023772       0.95750669 
           0.23871405       0.46288266       0.68896547 
           0.23045260       0.53712322       0.82332857 
           0.24822419       0.23591385       0.81524680 
           0.99822419       0.30883121       0.56084934 
           0.24822419       0.30883121       0.68462966 
           0.99822419       0.38533534       0.93446179 
           0.24822419       0.38533534       0.81101721 
           0.49719535       0.46198907       0.06044441 
           0.51857876       0.54201851       0.44979741 
           0.75186239       0.45911290       0.17948647 
           0.77503898       0.51958380       0.34162770 
           0.49822419       0.23591385       0.43023220 
           0.74822419       0.23591385       0.31524680 
           0.49822419       0.30883121       0.06084934 
           0.74822419       0.30883121       0.18462966 
           0.49822419       0.38533534       0.43446179 
           0.74822419       0.38533534       0.31101721 
           0.48978957       0.46113621       0.56278601 
           0.48686439       0.53842145       0.94372424 
           0.74660049       0.46137920       0.68236083 
           0.74732834       0.52730733       0.83632860 
           0.49822419       0.23591385       0.93023220 
           0.74822419       0.23591385       0.81524680 
           0.74822419       0.30883121       0.68462966 
           0.49822419       0.38533534       0.93446179 
           0.74822419       0.38533534       0.81101721 
           0.14808717       0.65003984       0.76086509 
           0.65446088       0.63068771       0.63545734 
           0.24407352       0.59224264       0.73760536 
           0.52684178       0.59726858       0.53767161 
           0.17650922       0.69648103       0.62352315 
           0.59469238       0.69552375       0.71344675 
           0.29853665       0.71901534       0.62248612 
           0.14560416       0.67810634       0.53286072 
           0.22584947       0.67587870       0.87129813 
           0.81946130       0.63907971       0.56647651 
           0.95499538       0.64420953       0.77799712 
           0.70371503       0.58720537       0.73304088 
           0.71449457       0.70993541       0.75975499 
           0.07376122       0.72592497       0.64501480 
           0.55977225       0.72699975       0.64581716 
           0.49130983       0.69497990       0.78571124 
   
  
  
           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 
   
  
  
          0.99592034       0.46535936       0.04920662 
          0.01310726       0.55033715       0.45121216 
          0.24517655       0.46048055       0.18162841 
          0.25770810       0.52358890       0.34077064 
          0.99822419       0.23591385       0.43023220 
          0.24822419       0.23591385       0.31524680 
          0.99822419       0.30883121       0.06084934 
          0.24822419       0.30883121       0.18462966 
          0.99822419       0.38533534       0.43446179 
          0.24822419       0.38533534       0.31101721 
          0.99473684       0.46513832       0.55187806 
          0.99015925       0.55023772       0.95750669 
          0.23871405       0.46288266       0.68896547 
          0.23045260       0.53712322       0.82332857 
          0.24822419       0.23591385       0.81524680 
          0.99822419       0.30883121       0.56084934 
          0.24822419       0.30883121       0.68462966 
          0.99822419       0.38533534       0.93446179 
          0.24822419       0.38533534       0.81101721 
          0.49719535       0.46198907       0.06044441 
          0.51857876       0.54201851       0.44979741 
          0.75186239       0.45911290       0.17948647 
          0.77503898       0.51958380       0.34162770 
          0.49822419       0.23591385       0.43023220 
          0.74822419       0.23591385       0.31524680 
          0.49822419       0.30883121       0.06084934 
          0.74822419       0.30883121       0.18462966 
          0.49822419       0.38533534       0.43446179 
          0.74822419       0.38533534       0.31101721 
          0.48978957       0.46113621       0.56278601 
          0.48686439       0.53842145       0.94372424 
          0.74660049       0.46137920       0.68236083 
          0.74732834       0.52730733       0.83632860 
          0.49822419       0.23591385       0.93023220 
          0.74822419       0.23591385       0.81524680 
          0.74822419       0.30883121       0.68462966 
          0.49822419       0.38533534       0.93446179 
          0.74822419       0.38533534       0.81101721 
          0.14808717       0.65003984       0.76086509 
          0.65446088       0.63068771       0.63545734 
          0.24407352       0.59224264       0.73760536 
          0.52684178       0.59726858       0.53767161 
          0.17650922       0.69648103       0.62352315 
          0.59469238       0.69552375       0.71344675 
          0.29853665       0.71901534       0.62248612 
          0.14560416       0.67810634       0.53286072 
          0.22584947       0.67587870       0.87129813 
          0.81946130       0.63907971       0.56647651 
          0.95499538       0.64420953       0.77799712 
          0.70371503       0.58720537       0.73304088 
          0.71449457       0.70993541       0.75975499 
          0.07376122       0.72592497       0.64501480 
          0.55977225       0.72699975       0.64581716 
          0.49130983       0.69497990       0.78571124 
  
  
     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 
  
 
 
  
      12.80   12.98
      13.20   13.38
   
         40.50514279 
      17992.71584236 
     -22727.31160137 
       -274.99061690 
       4456.43530550 
      -3757.52896329 
          0.01030324 
       -221.79202710 
       5406.19701560 
        914.24040083 
        914.23009759 
        914.23696641 
   
  
  
      15.62   15.61
      15.62   15.62
   
       -141.87884920 
       -141.88715108 
       -141.88161650 
   
  
  
      16.22   16.22
      16.23   16.22
   
       -277.31144618 
       -277.35444687 
       -277.32577974 
   
  
  
      15.95   15.95
      15.95   15.95
   
       -282.89260661 
       -282.93493974 
       -282.90671765 
   
  
  
      17.12   17.12
      17.28   17.28
   
       -283.05335083 
       -283.09556786 
       -283.06742317 
   
  
  
      15.37   15.37
      15.88   15.88
   
       -270.58738962 
       -270.60894480 
       -270.59457468 
   
  
  
      14.89   14.89
      15.49   15.48
   
       -272.68942168 
       -272.66453572 
       -272.68112636 
   
  
  
      15.49   15.48
      16.03   16.03
   
       -269.27522337 
       -269.26757181 
       -269.27267285 
   
  
  
      16.58   16.58
      17.11   17.11
   
       -268.68266655 
       -268.69388718 
       -268.68640676 
   
  
  
      14.33   14.32
      14.88   14.88
   
       -268.67546920 
       -268.70829903 
       -268.68641248 
   
  
  
      16.02   16.02
      16.55   16.55
   
       -268.60476300 
       -268.62726200 
       -268.61226267 
   
  
  
      14.34   14.33
      14.84   14.84
   
       -268.61675534 
       -268.64049758 
       -268.62466942