vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 10 21 
  20:23:51 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.32000000      0.77000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           20.00000000       0.00000000       0.00000000 
            0.00000000      15.00000000       0.00000000 
            0.00000000       0.00000000      15.00000000 
    
       4500.00000000 
    
            0.05000000       0.00000000       0.00000000 
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            0.00000000       0.00000000       0.06666667 
    
   
   
           0.55529605       0.69056623       0.23506767 
           0.49146805       0.53396704       0.48209828 
           0.37142612       0.03703179       0.51117611 
           0.05447853       0.26150153       0.65811721 
           0.50734985       0.36851891       0.44997221 
           0.62114763       0.09832177       0.64108665 
           0.07222559       0.61637750       0.32650294 
           0.53114491       0.70210506       0.34553311 
           0.52037937       0.46972022       0.39879940 
           0.86765608       0.41207463       0.16916874 
           0.77500596       0.15103140       0.95412555 
           0.42049062       0.06008004       0.42492221 
           0.09630551       0.20904730       0.72722613 
           0.90210512       0.51427859       0.41131666 
           0.22371259       0.88432359       0.54154944 
           0.90819172       0.42467036       0.13435107 
           0.52390357       0.60023526       0.20631993 
           0.55165515       0.96739188       0.17245339 
           0.56875539       0.92353279       0.15980348 
           0.09108986       0.66581537       0.36040800 
           0.11761464       0.78691346       0.07422060 
           0.25238922       0.23127849       0.34466096 
           0.33314676       0.62511495       0.06548834 
           0.93642153       0.87902031       0.47894357 
           0.07337974       0.80587181       0.17014306 
           0.28533213       0.02618816       0.00589069 
           0.77236413       0.01597031       0.94208495 
           0.49784903       0.53610214       0.75156293 
           0.28655567       0.25526925       0.33938971 
           0.00298454       0.70924875       0.57355368 
           0.02520179       0.63088438       0.33639957 
           0.47858534       0.43265900       0.53593344 
           0.39476010       0.10631101       0.58425659 
           0.30289364       0.00870365       0.96865858 
           0.53456766       0.76385735       0.36602896 
           0.45720133       0.10256465       0.42572398 
           0.49277858       0.23813169       0.73172791 
           0.78549313       0.07770557       0.98883315 
           0.85134968       0.54079332       0.39392263 
           0.85801105       0.48735070       0.32904041 
           0.45430540       0.53130634       0.79826967 
           0.09669359       0.74921201       0.13090763 
           0.37629147       0.64100096       0.10778378 
   
  
  
           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 
  
 
 
  
          1        1        1 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       80
       -1
       -1
       111.00000000
        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
     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
           0.00000003
           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
   
  
  
       98
       80
       80
      196
      160
      160
    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      0.32000000      0.77000000
      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      1.00000000     12.01100000
         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
        62.79069767
         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  
  
 
 
        43 
         4 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       5Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       7O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      25H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       6C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
   
  
 
 
  
   
          20.00000000       0.00000000       0.00000000 
           0.00000000      15.00000000       0.00000000 
           0.00000000       0.00000000      15.00000000 
   
      4500.00000000 
   
           0.05000000       0.00000000       0.00000000 
           0.00000000       0.06666667       0.00000000 
           0.00000000       0.00000000       0.06666667 
   
  
  
          0.55529605       0.69056623       0.23506767 
          0.49146805       0.53396704       0.48209828 
          0.37142612       0.03703179       0.51117611 
          0.05447853       0.26150153       0.65811721 
          0.50734985       0.36851891       0.44997221 
          0.62114763       0.09832177       0.64108665 
          0.07222559       0.61637750       0.32650294 
          0.53114491       0.70210506       0.34553311 
          0.52037937       0.46972022       0.39879940 
          0.86765608       0.41207463       0.16916874 
          0.77500596       0.15103140       0.95412555 
          0.42049062       0.06008004       0.42492221 
          0.09630551       0.20904730       0.72722613 
          0.90210512       0.51427859       0.41131666 
          0.22371259       0.88432359       0.54154944 
          0.90819172       0.42467036       0.13435107 
          0.52390357       0.60023526       0.20631993 
          0.55165515       0.96739188       0.17245339 
          0.56875539       0.92353279       0.15980348 
          0.09108986       0.66581537       0.36040800 
          0.11761464       0.78691346       0.07422060 
          0.25238922       0.23127849       0.34466096 
          0.33314676       0.62511495       0.06548834 
          0.93642153       0.87902031       0.47894357 
          0.07337974       0.80587181       0.17014306 
          0.28533213       0.02618816       0.00589069 
          0.77236413       0.01597031       0.94208495 
          0.49784903       0.53610214       0.75156293 
          0.28655567       0.25526925       0.33938971 
          0.00298454       0.70924875       0.57355368 
          0.02520179       0.63088438       0.33639957 
          0.47858534       0.43265900       0.53593344 
          0.39476010       0.10631101       0.58425659 
          0.30289364       0.00870365       0.96865858 
          0.53456766       0.76385735       0.36602896 
          0.45720133       0.10256465       0.42572398 
          0.49277858       0.23813169       0.73172791 
          0.78549313       0.07770557       0.98883315 
          0.85134968       0.54079332       0.39392263 
          0.85801105       0.48735070       0.32904041 
          0.45430540       0.53130634       0.79826967 
          0.09669359       0.74921201       0.13090763 
          0.37629147       0.64100096       0.10778378 
  
 
 
  
       1.20    1.32
       2.19    2.32
   
          9.57847877 
        662.49451347 
      -4399.27658767 
        263.33021349 
       3570.94830049 
      -3499.21096548 
          0.00437802 
       -612.70044335 
       4735.90026324 
        731.06815098 
        731.06377296 
        731.06669164 
   
  
  
       2.24    2.26
       2.24    2.26
   
         97.77853683 
         97.80130116 
         97.78612494 
   
  
  
       1.85    1.86
       1.85    1.86
   
       -163.32937588 
       -163.33146143 
       -163.33007106 
   
  
  
       1.71    1.71
       1.71    1.71
   
       -189.56575191 
       -189.55926352 
       -189.56358912 
   
  
  
       1.92    1.93
       2.02    2.03
   
       -190.23456722 
       -190.22656987 
       -190.23190144 
   
  
  
       1.28    1.28
       2.24    2.25
   
       -218.96337668 
       -218.88304868 
       -218.93660068 
   
  
  
       1.40    1.40
       2.69    2.70
   
       -173.43908830 
       -173.41274028 
       -173.43030563 
   
  
  
       1.19    1.19
       2.38    2.38
   
       -164.16990297 
       -163.85949059 
       -164.06643218 
   
  
  
       1.19    1.20
       2.01    2.01
   
       -165.21996967 
       -165.14237341 
       -165.19410425 
   
  
  
       1.37    1.37
       2.42    2.42
   
       -163.06525146 
       -163.02454211 
       -163.05168168 
   
  
  
       1.27    1.27
       2.21    2.21
   
       -161.22768530 
       -161.20126101 
       -161.21887721 
   
  
  
       1.36    1.36
       2.33    2.33
   
       -164.34629213 
       -164.31928328 
       -164.33728918 
   
  
  
       1.31    1.32
       2.19    2.20
   
       -161.98977700 
       -161.76800347 
       -161.91585249 
   
  
  
       1.31    1.32
       2.32    2.33
   
       -160.29654562 
       -160.21963527 
       -160.27090883 
   
  
  
       1.26    1.27
       2.27    2.27
   
       -159.62917433 
       -159.29809755 
       -159.51881540 
   
  
  
       1.36    1.36
       2.46    2.46
   
       -159.67897751 
       -159.81515441 
       -159.72436981 
   
  
  
       1.27    1.29
       2.28    2.29
   
       -159.15764278 
       -159.05152664 
       -159.12227073 
   
  
  
       1.37    1.38
       2.46    2.46
   
       -159.09695255 
       -158.71097966 
       -158.96829492 
   
  
  
       1.25    1.26
       2.36    2.37
   
       -159.07998505 
       -158.69434512 
       -158.95143840 
   
  
  
       1.30    1.31
       2.30    2.31
   
       -159.08258368 
       -158.97284749 
       -159.04600495 
   
  
  
       1.34    1.34
       2.30    2.30
   
       -158.98400100 
       -158.50153851 
       -158.82318017 
   
  
  
       1.37    1.38
       2.38    2.39
   
       -159.27245538 
       -158.76174000 
       -159.10221692 
   
  
  
       1.16    1.16
       2.16    2.16
   
       -158.94433138 
       -158.63833625 
       -158.84233300 
   
  
  
       1.33    1.33
       2.36    2.36
   
       -158.99349471 
       -158.50140747 
       -158.82946563 
   
  
  
       1.31    1.32
       2.36    2.37
   
       -158.99822677 
       -158.73268595 
       -158.90971316 
   
  
  
       1.18    1.18
       2.26    2.27
   
       -158.99720731 
       -158.71189095 
       -158.90210186 
   
  
  
       1.35    1.36
       2.42    2.42
   
       -159.03742668 
       -158.49775388 
       -158.85753574 
   
  
  
       1.12    1.14
       2.29    2.31
   
       -158.98457084 
       -158.65073160 
       -158.87329109 
   
  
  
       1.27    1.27
       2.41    2.41
   
       -159.00768065 
       -158.62005111 
       -158.87847080 
   
  
  
       1.20    1.22
       2.37    2.38
   
       -159.00779230 
       -158.61458031 
       -158.87672164 
   
  
  
       1.26    1.26
       2.39    2.39
   
       -159.03863154 
       -158.56197085 
       -158.87974464 
   
  
  
       1.21    1.22
       2.41    2.42
   
       -159.03852760 
       -158.56573051 
       -158.88092857 
   
  
  
       1.39    1.40
       2.52    2.52
   
       -159.00107720 
       -158.58576959 
       -158.86264133 
   
  
  
       1.25    1.25
       2.31    2.31
   
       -159.02111012 
       -158.62753364 
       -158.88991796 
   
  
  
       1.18    1.19
       2.37    2.38
   
       -159.02084442 
       -158.60527835 
       -158.88232240 
   
  
  
       1.36    1.37
       2.51    2.53
   
       -159.02985011 
       -158.57749112 
       -158.87906378 
   
  
  
       1.31    1.32
       2.49    2.49
   
       -159.02829580 
       -158.59701479 
       -158.88453547 
   
  
  
       1.22    1.22
       2.32    2.33
   
       -159.03069708 
       -158.60021582 
       -158.88720333 
   
  
  
       1.23    1.24
       2.46    2.47
   
       -159.03111667 
       -158.60856368 
       -158.89026567 
   
  
  
       1.17    1.17
       2.34    2.34
   
       -159.03158380 
       -158.60627737 
       -158.88981499