vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 12 30 
  17:45:56 
 
 
  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 
    
   
   
           0.52784544       0.39177137       0.47620897 
           0.57355958       0.45994041       0.36736960 
           0.59322139       0.43562389       0.58860553 
           0.54829085       0.25740271       0.46701019 
           0.39256770       0.41397720       0.48446614 
           0.32932400       0.67249373       0.67610312 
           0.51381390       0.52441324       0.28597674 
           0.59347722       0.60588708       0.23138277 
           0.60177839       0.55254066       0.61573603 
           0.64021866       0.56459785       0.73530115 
           0.65013338       0.20202314       0.43636234 
           0.72758673       0.18510951       0.53497326 
           0.32533257       0.37200732       0.57329508 
           0.22146039       0.43713038       0.58234661 
           0.47757481       0.46745572       0.22338690 
           0.44444945       0.56868960       0.32692874 
           0.54913747       0.65719369       0.16984937 
           0.66117212       0.56138387       0.18861469 
           0.63059713       0.66163608       0.29389271 
           0.66116135       0.59183784       0.55738500 
           0.51984273       0.59389364       0.60451072 
           0.64839976       0.65316484       0.75688058 
           0.72139776       0.52382844       0.74703170 
           0.58015773       0.52642082       0.79261921 
           0.62520188       0.12104840       0.40100143 
           0.69199765       0.24943869       0.36953678 
           0.80232336       0.13928916       0.50802577 
           0.68643719       0.13681898       0.60096015 
           0.75386891       0.26533722       0.57031108 
           0.37188174       0.37200783       0.65292436 
           0.16209790       0.41818829       0.64846589 
           0.19118993       0.48105772       0.50901420 
           0.28709697       0.60324330       0.65847701 
           0.30460984       0.28303406       0.55728234 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
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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 
   
  
  
          0.52784544       0.39177137       0.47620897 
          0.57355958       0.45994041       0.36736960 
          0.59322139       0.43562389       0.58860553 
          0.54829085       0.25740271       0.46701019 
          0.39256770       0.41397720       0.48446614 
          0.32932400       0.67249373       0.67610312 
          0.51381390       0.52441324       0.28597674 
          0.59347722       0.60588708       0.23138277 
          0.60177839       0.55254066       0.61573603 
          0.64021866       0.56459785       0.73530115 
          0.65013338       0.20202314       0.43636234 
          0.72758673       0.18510951       0.53497326 
          0.32533257       0.37200732       0.57329508 
          0.22146039       0.43713038       0.58234661 
          0.47757481       0.46745572       0.22338690 
          0.44444945       0.56868960       0.32692874 
          0.54913747       0.65719369       0.16984937 
          0.66117212       0.56138387       0.18861469 
          0.63059713       0.66163608       0.29389271 
          0.66116135       0.59183784       0.55738500 
          0.51984273       0.59389364       0.60451072 
          0.64839976       0.65316484       0.75688058 
          0.72139776       0.52382844       0.74703170 
          0.58015773       0.52642082       0.79261921 
          0.62520188       0.12104840       0.40100143 
          0.69199765       0.24943869       0.36953678 
          0.80232336       0.13928916       0.50802577 
          0.68643719       0.13681898       0.60096015 
          0.75386891       0.26533722       0.57031108 
          0.37188174       0.37200783       0.65292436 
          0.16209790       0.41818829       0.64846589 
          0.19118993       0.48105772       0.50901420 
          0.28709697       0.60324330       0.65847701 
          0.30460984       0.28303406       0.55728234 
  
 
 
  
      15.40   15.60
      15.80   16.00
   
         16.78333521 
       3623.76530943 
      -6434.74325391 
        280.49840365 
       2731.49483860 
      -2727.61980099 
         -0.00984054 
       -565.78682498 
       3690.97217068 
        615.35433716 
        615.36417770 
        615.35761734 
   
  
  
      20.27   20.28
      20.27   20.28
   
        -24.59235745 
        -24.60375640 
        -24.59615710 
   
  
  
      16.98   16.99
      16.98   16.99
   
       -194.75432699 
       -194.71380031 
       -194.74081810 
   
  
  
      17.81   17.83
      17.81   17.83
   
       -202.66895362 
       -202.61905429 
       -202.65232051 
   
  
  
      18.89   18.92
      18.97   19.00
   
       -202.85072148 
       -202.80084496 
       -202.83409598 
   
  
  
      16.36   16.38
      16.83   16.85
   
       -187.56679024 
       -187.55593261 
       -187.56317103 
   
  
  
      17.23   17.24
      17.69   17.70
   
       -185.11563608 
       -185.13597244 
       -185.12241487 
   
  
  
      16.33   16.37
      16.80   16.84
   
       -184.77075677 
       -184.79240525 
       -184.77797293 
   
  
  
      16.23   16.24
      16.73   16.74
   
       -184.68889648 
       -184.71913157 
       -184.69897485 
   
  
  
      15.95   15.96
      16.44   16.45
   
       -184.67633192 
       -184.70891674 
       -184.68719353 
   
  
  
      16.07   16.08
      16.54   16.56
   
       -184.67601798 
       -184.70279207 
       -184.68494268 
   
  
  
      16.73   16.74
      17.19   17.20
   
       -184.67694080 
       -184.70393511 
       -184.68593890 
   
  
  
      15.39   15.41
      15.86   15.88
   
       -184.66715534 
       -184.69445398 
       -184.67625488 
   
  
  
      15.60   15.62
      16.06   16.09
   
       -184.63624312 
       -184.66491550 
       -184.64580058 
   
  
  
      15.85   15.86
      16.33   16.34
   
       -184.62788618 
       -184.64544868 
       -184.63374035