vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 12 30 
  17:45:55 
 
 
  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 
    
   
   
           0.52848541       0.39137447       0.47608921 
           0.57367197       0.45949016       0.36715312 
           0.59419378       0.43543851       0.58845183 
           0.54827088       0.25706476       0.46717732 
           0.39314302       0.41395214       0.48476856 
           0.31857412       0.66818158       0.67634064 
           0.51388996       0.52414709       0.28613472 
           0.59366115       0.60561281       0.23153362 
           0.60269285       0.55191112       0.61545790 
           0.64048671       0.56420187       0.73529903 
           0.65005822       0.20152846       0.43643614 
           0.72773400       0.18491012       0.53490183 
           0.32664099       0.37328321       0.57478106 
           0.22408460       0.43998232       0.58580584 
           0.47734944       0.46744203       0.22346143 
           0.44471870       0.56859863       0.32728618 
           0.54923936       0.65727733       0.17014058 
           0.66110869       0.56109472       0.18844497 
           0.63097520       0.66109571       0.29414811 
           0.66289623       0.59122834       0.55759299 
           0.52105920       0.59354476       0.60366328 
           0.64815719       0.65283371       0.75697804 
           0.72148450       0.52378084       0.74772633 
           0.57984591       0.52599603       0.79230214 
           0.62509673       0.12049439       0.40125089 
           0.69173535       0.24893190       0.36941800 
           0.80247426       0.13911397       0.50796323 
           0.68668933       0.13668379       0.60106985 
           0.75390954       0.26523366       0.57004991 
           0.37464515       0.37152006       0.65356806 
           0.16533263       0.42007231       0.65225678 
           0.19339711       0.48589191       0.51371559 
           0.28057655       0.60260763       0.64225226 
           0.30292710       0.28536631       0.55861680 
   
  
  
           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 
  
 
 
  
          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 
   
  
  
          0.52848541       0.39137447       0.47608921 
          0.57367197       0.45949016       0.36715312 
          0.59419378       0.43543851       0.58845183 
          0.54827088       0.25706476       0.46717732 
          0.39314302       0.41395214       0.48476856 
          0.31857412       0.66818158       0.67634064 
          0.51388996       0.52414709       0.28613472 
          0.59366115       0.60561281       0.23153362 
          0.60269285       0.55191112       0.61545790 
          0.64048671       0.56420187       0.73529903 
          0.65005822       0.20152846       0.43643614 
          0.72773400       0.18491012       0.53490183 
          0.32664099       0.37328321       0.57478106 
          0.22408460       0.43998232       0.58580584 
          0.47734944       0.46744203       0.22346143 
          0.44471870       0.56859863       0.32728618 
          0.54923936       0.65727733       0.17014058 
          0.66110869       0.56109472       0.18844497 
          0.63097520       0.66109571       0.29414811 
          0.66289623       0.59122834       0.55759299 
          0.52105920       0.59354476       0.60366328 
          0.64815719       0.65283371       0.75697804 
          0.72148450       0.52378084       0.74772633 
          0.57984591       0.52599603       0.79230214 
          0.62509673       0.12049439       0.40125089 
          0.69173535       0.24893190       0.36941800 
          0.80247426       0.13911397       0.50796323 
          0.68668933       0.13668379       0.60106985 
          0.75390954       0.26523366       0.57004991 
          0.37464515       0.37152006       0.65356806 
          0.16533263       0.42007231       0.65225678 
          0.19339711       0.48589191       0.51371559 
          0.28057655       0.60260763       0.64225226 
          0.30292710       0.28536631       0.55861680 
  
 
 
  
      13.49   13.65
      13.87   14.03
   
         16.78333521 
       3628.17144995 
      -6438.86312183 
        280.55784573 
       2731.49483860 
      -2727.61980099 
         -0.00494601 
       -565.84569206 
       3690.97217068 
        615.64607928 
        615.65102529 
        615.64772795 
   
  
  
      20.27   20.28
      20.27   20.28
   
        -24.81834056 
        -24.82701291 
        -24.82123134 
   
  
  
      17.02   17.02
      17.02   17.02
   
       -194.78023823 
       -194.74091646 
       -194.76713097 
   
  
  
      17.78   17.81
      17.78   17.81
   
       -202.64731496 
       -202.59721403 
       -202.63061465 
   
  
  
      18.84   18.86
      18.92   18.94
   
       -202.82776415 
       -202.77767784 
       -202.81106871 
   
  
  
      16.42   16.43
      16.89   16.90
   
       -187.59193798 
       -187.57337129 
       -187.58574908 
   
  
  
      17.25   17.26
      17.71   17.73
   
       -185.15458892 
       -185.17629686 
       -185.16182490 
   
  
  
      16.30   16.31
      16.78   16.79
   
       -184.78677241 
       -184.80639747 
       -184.79331409 
   
  
  
      16.34   16.36
      16.82   16.84
   
       -184.70242005 
       -184.72652043 
       -184.71045351 
   
  
  
      15.87   15.88
      16.34   16.35
   
       -184.69836994 
       -184.72568532 
       -184.70747507 
   
  
  
      16.30   16.31
      16.77   16.78
   
       -184.69490699 
       -184.72584316 
       -184.70521905 
   
  
  
      16.20   16.23
      16.67   16.70
   
       -184.69254523 
       -184.72757544 
       -184.70422197 
   
  
  
      15.32   15.33
      15.79   15.80
   
       -184.68771732 
       -184.72207073 
       -184.69916845 
   
  
  
      15.90   15.91
      16.36   16.38
   
       -184.67910067 
       -184.70260227 
       -184.68693454 
   
  
  
      16.34   16.35
      16.82   16.83
   
       -184.67509846 
       -184.69620047 
       -184.68213246