vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 12 19 
  22:12:14 
 
 
  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
        0.00300000     -0.04200000     -0.03700000     -0.01500000     -0.00600000     -1.26600000     -0.00200000     -0.00200000     -0.00200000     -0.00400000      0.00000000     -0.00100000      0.00000000      0.00000000     -0.00200000      0.00000000      0.00000000      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
  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 
    
   
   
           0.56041251       0.55802783       0.47831411 
           0.60155659       0.61209262       0.36107090 
           0.62744195       0.61048372       0.58500452 
           0.58179174       0.42384461       0.47918842 
           0.42401998       0.58233234       0.48962490 
           0.37236211       0.66448560       0.81965916 
           0.55002141       0.69713338       0.29451191 
           0.63844427       0.77283937       0.24550008 
           0.62527860       0.72711968       0.61245638 
           0.64134027       0.74274946       0.73678355 
           0.68111132       0.36699390       0.44411988 
           0.77065871       0.36547447       0.53350443 
           0.35942880       0.55792435       0.58322938 
           0.28463213       0.66238095       0.62140954 
           0.50218570       0.65616251       0.22751685 
           0.49021474       0.74502787       0.34549333 
           0.59931527       0.83714392       0.19294576 
           0.69711190       0.72518599       0.19363056 
           0.68610524       0.81478070       0.31174436 
           0.69150851       0.77055850       0.56576932 
           0.54412850       0.76435335       0.58683425 
           0.64339118       0.83182266       0.75711111 
           0.72088220       0.70466717       0.76306523 
           0.57337297       0.70307362       0.78317643 
           0.65546593       0.28115020       0.42343933 
           0.71330937       0.40562129       0.36687521 
           0.84330213       0.31798984       0.50438400 
           0.73894349       0.32597326       0.61021023 
           0.79748265       0.45064897       0.55439637 
           0.40875915       0.52684628       0.65455006 
           0.22628201       0.62464105       0.68224447 
           0.23638195       0.68202862       0.54507184 
           0.31980895       0.73951632       0.65274256 
           0.30251156       0.48350453       0.55918451 
   
  
  
           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
       63
       -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  
          0.00300000     -0.04200000     -0.03700000     -0.01500000     -0.00600000     -1.26600000     -0.00200000     -0.00200000     -0.00200000     -0.00400000      0.00000000     -0.00100000      0.00000000      0.00000000     -0.00200000      0.00000000      0.00000000      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
         -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
           0.00000004
           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
  
  
        3
        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 
   
  
  
          0.56041251       0.55802783       0.47831411 
          0.60155659       0.61209262       0.36107090 
          0.62744195       0.61048372       0.58500452 
          0.58179174       0.42384461       0.47918842 
          0.42401998       0.58233234       0.48962490 
          0.37236211       0.66448560       0.81965916 
          0.55002141       0.69713338       0.29451191 
          0.63844427       0.77283937       0.24550008 
          0.62527860       0.72711968       0.61245638 
          0.64134027       0.74274946       0.73678355 
          0.68111132       0.36699390       0.44411988 
          0.77065871       0.36547447       0.53350443 
          0.35942880       0.55792435       0.58322938 
          0.28463213       0.66238095       0.62140954 
          0.50218570       0.65616251       0.22751685 
          0.49021474       0.74502787       0.34549333 
          0.59931527       0.83714392       0.19294576 
          0.69711190       0.72518599       0.19363056 
          0.68610524       0.81478070       0.31174436 
          0.69150851       0.77055850       0.56576932 
          0.54412850       0.76435335       0.58683425 
          0.64339118       0.83182266       0.75711111 
          0.72088220       0.70466717       0.76306523 
          0.57337297       0.70307362       0.78317643 
          0.65546593       0.28115020       0.42343933 
          0.71330937       0.40562129       0.36687521 
          0.84330213       0.31798984       0.50438400 
          0.73894349       0.32597326       0.61021023 
          0.79748265       0.45064897       0.55439637 
          0.40875915       0.52684628       0.65455006 
          0.22628201       0.62464105       0.68224447 
          0.23638195       0.68202862       0.54507184 
          0.31980895       0.73951632       0.65274256 
          0.30251156       0.48350453       0.55918451 
  
 
 
  
      13.89   13.96
      15.37   15.44
   
         16.78333521 
       3722.03378768 
      -6540.40966306 
        280.29800502 
       2731.49734365 
      -2727.62239620 
          0.00233692 
       -549.30167308 
       3690.97217068 
        624.25324682 
        624.25090990 
        624.25246784 
   
  
  
      17.46   17.52
      17.46   17.52
   
        -20.24448637 
        -20.24067681 
        -20.24321651 
   
  
  
      15.05   15.09
      15.05   15.10
   
       -194.37022060 
       -194.32539362 
       -194.35527828 
   
  
  
      16.11   16.18
      16.11   16.18
   
       -202.65063088 
       -202.58047910 
       -202.62724695 
   
  
  
      16.77   16.84
      16.96   17.02
   
       -202.80094910 
       -202.73083192 
       -202.77757671 
   
  
  
      15.18   15.28
      16.81   16.92
   
       -186.70281454 
       -186.71049531 
       -186.70537480 
   
  
  
      15.53   15.60
      17.18   17.24
   
       -184.45396626 
       -184.47926324 
       -184.46239859 
   
  
  
      14.44   14.51
      15.93   16.00
   
       -184.13234556 
       -184.17180793 
       -184.14549969 
   
  
  
      14.40   14.48
      15.42   15.51
   
       -184.08283894 
       -184.10856373 
       -184.09141387 
   
  
  
      13.78   13.84
      14.89   14.95
   
       -184.05656485 
       -184.08235600 
       -184.06516190 
   
  
  
      14.04   14.09
      15.12   15.17
   
       -184.04959479 
       -184.08150884 
       -184.06023281 
   
  
  
      13.87   13.95
      14.97   15.05
   
       -184.04593096 
       -184.07897023 
       -184.05694405 
   
  
  
      14.30   14.36
      15.37   15.43
   
       -184.04743440 
       -184.07913669 
       -184.05800183 
   
  
  
      13.82   13.94
      14.94   15.06
   
       -184.04770316 
       -184.08069484 
       -184.05870038 
   
  
  
      13.41   13.50
      14.38   14.47
   
       -184.03640318 
       -184.06891621 
       -184.04724085 
   
  
  
      13.43   13.53
      14.46   14.55
   
       -184.01632850 
       -184.04698194 
       -184.02654631 
   
  
  
      13.70   13.77
      14.67   14.74
   
       -184.02744817 
       -184.05776012 
       -184.03755215 
   
  
  
      15.23   15.30
      16.21   16.28
   
       -184.02920142 
       -184.05956692 
       -184.03932325 
   
  
  
      12.69   12.76
      13.66   13.73
   
       -183.99213056 
       -184.02882791 
       -184.00436301 
   
  
  
      12.96   13.02
      13.94   14.01
   
       -184.02269568 
       -184.05637979 
       -184.03392372 
   
  
  
      14.28   14.35
      15.29   15.36
   
       -184.02127710 
       -184.04471391 
       -184.02908937 
   
  
  
      12.83   12.90
      13.82   13.89
   
       -184.03325022 
       -184.05387453 
       -184.04012499 
   
  
  
      12.90   12.99
      13.97   14.06
   
       -184.02312721 
       -184.05593331 
       -184.03406258 
   
  
  
      13.18   13.28
      14.25   14.34
   
       -184.03537656 
       -184.06875760 
       -184.04650357 
   
  
  
      13.92   14.00
      14.93   15.00
   
       -184.03772806 
       -184.07409233 
       -184.04984948 
   
  
  
      13.13   13.20
      14.19   14.26
   
       -184.02194501 
       -184.06106207 
       -184.03498403 
   
  
  
      13.25   13.32
      14.32   14.39
   
       -184.02609802 
       -184.06673380 
       -184.03964328 
   
  
  
      12.49   12.55
      13.48   13.55
   
       -184.03175613 
       -184.06990905 
       -184.04447377 
   
  
  
       9.74    9.81
      11.08   11.15
   
       -184.02390747 
       -184.05254682 
       -184.03345392 
   
  
  
      10.10   10.18
      11.66   11.74
   
       -183.99607902 
       -184.03391418 
       -184.00869074 
   
  
  
      11.25   11.32
      12.36   12.44
   
       -183.97754442 
       -184.00125281 
       -183.98544722 
   
  
  
       9.96   10.02
      11.07   11.13
   
       -184.01789820 
       -184.06104976 
       -184.03228205 
   
  
  
      10.33   10.38
      11.58   11.63
   
       -184.02608148 
       -184.06865289 
       -184.04027195 
   
  
  
       9.58    9.64
      10.74   10.80
   
       -184.01643389 
       -184.05409441 
       -184.02898740 
   
  
  
       9.05    9.12
      10.84   10.92
   
       -183.96694255 
       -184.01260133 
       -183.98216214 
   
  
  
       8.99    9.04
      10.41   10.46
   
       -183.96690878 
       -184.01135167 
       -183.98172308 
   
  
  
       7.43    7.49
       8.81    8.87
   
       -183.98516781 
       -184.01621449 
       -183.99551671 
   
  
  
       7.20    7.26
       8.62    8.67
   
       -183.97342467 
       -184.00370589 
       -183.98351841 
   
  
  
       7.09    7.15
       8.09    8.15
   
       -183.98456666 
       -184.01752086 
       -183.99555139 
   
  
  
       7.71    7.76
       8.63    8.68
   
       -184.01292352 
       -184.03046176 
       -184.01876960 
   
  
  
       7.22    7.28
       8.25    8.31
   
       -184.02166701 
       -184.03233734 
       -184.02522379 
   
  
  
       7.87    7.92
       8.81    8.87
   
       -184.01903959 
       -184.02882863 
       -184.02230260