vasp 
  6.4.1  
  05Apr23 (build Apr 16 2023 22:14:57) gamma-only                       parallel 
  Lin64 
  2025 10 21 
  19:57:51 
 
 
  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      0.32000000      0.77000000
  Auto
       1
        0.20000000
       1
   F  
   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 
            0.00000000       0.06666667       0.00000000 
            0.00000000       0.00000000       0.06666667 
    
   
   
           0.76594971       0.80556523       0.51245723 
           0.48611690       0.92597071       0.71269410 
           0.37227254       0.01512218       0.53063819 
           0.29266905       0.04551908       0.68650849 
           0.03683825       0.51142373       0.60253828 
           0.98790101       0.76690807       0.00838247 
           0.08671649       0.26151899       0.94388878 
           0.45854409       0.06678074       0.78235403 
           0.32948449       0.89037408       0.73872745 
           0.26156427       0.07639944       0.09169784 
           0.02291697       0.65468044       0.06644425 
           0.13525412       0.26905044       0.96142305 
           0.48595592       0.98447756       0.03973964 
           0.30511185       0.93668130       0.71876152 
           0.08857444       0.49116445       0.56020913 
           0.66638991       0.41070451       0.54387968 
           0.79867887       0.54242788       0.00178580 
           0.61761694       0.26572762       0.30017136 
           0.45908785       0.87990304       0.51959527 
           0.41775731       0.10403849       0.76644832 
           0.61330414       0.78940408       0.00599170 
           0.35736105       0.55425986       0.71935090 
           0.04688836       0.23078147       0.01126823 
           0.79007195       0.87549664       0.58380525 
           0.23460700       0.79309954       0.55490605 
           0.73019656       0.22386963       0.66689791 
           0.05260488       0.20300864       0.95413772 
           0.93012386       0.70158072       0.10524132 
           0.89078812       0.36914435       0.32426767 
           0.23368940       0.61945506       0.32402189 
           0.45707745       0.95712628       0.03295578 
           0.18447921       0.87202601       0.71521207 
           0.46014600       0.38457379       0.02067640 
           0.83289667       0.09606869       0.84431965 
           0.20890185       0.10465071       0.05617248 
           0.33371997       0.09194965       0.70666947 
           0.28748124       0.18947676       0.10648022 
   
  
  
           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 
  
 
 
  
          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
       68
       -1
       -1
        99.00000000
        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
     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
           0.00000004
           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
   
  
  
       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
        10.00000000
  
  
        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  
    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  
        1
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        72.97297297
         1.00000000
  
  
    F  
    F  
    F  
    F  
         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  
       -1
       -1
    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
        -1.60000002
        -1.60000002
        -1.00000000
    F  
       -1
         0.00000000
        0
        0
       -1
       -1
       -1
        1
        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
  
  
        1
    F  
  
  
    F  
  
 
 
        37 
         4 
  
   ion
   element
   atomtype
   
    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
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       3Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       7O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      21H       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 
   
  
  
          0.76594971       0.80556523       0.51245723 
          0.48611690       0.92597071       0.71269410 
          0.37227254       0.01512218       0.53063819 
          0.29266905       0.04551908       0.68650849 
          0.03683825       0.51142373       0.60253828 
          0.98790101       0.76690807       0.00838247 
          0.08671649       0.26151899       0.94388878 
          0.45854409       0.06678074       0.78235403 
          0.32948449       0.89037408       0.73872745 
          0.26156427       0.07639944       0.09169784 
          0.02291697       0.65468044       0.06644425 
          0.13525412       0.26905044       0.96142305 
          0.48595592       0.98447756       0.03973964 
          0.30511185       0.93668130       0.71876152 
          0.08857444       0.49116445       0.56020913 
          0.66638991       0.41070451       0.54387968 
          0.79867887       0.54242788       0.00178580 
          0.61761694       0.26572762       0.30017136 
          0.45908785       0.87990304       0.51959527 
          0.41775731       0.10403849       0.76644832 
          0.61330414       0.78940408       0.00599170 
          0.35736105       0.55425986       0.71935090 
          0.04688836       0.23078147       0.01126823 
          0.79007195       0.87549664       0.58380525 
          0.23460700       0.79309954       0.55490605 
          0.73019656       0.22386963       0.66689791 
          0.05260488       0.20300864       0.95413772 
          0.93012386       0.70158072       0.10524132 
          0.89078812       0.36914435       0.32426767 
          0.23368940       0.61945506       0.32402189 
          0.45707745       0.95712628       0.03295578 
          0.18447921       0.87202601       0.71521207 
          0.46014600       0.38457379       0.02067640 
          0.83289667       0.09606869       0.84431965 
          0.20890185       0.10465071       0.05617248 
          0.33371997       0.09194965       0.70666947 
          0.28748124       0.18947676       0.10648022 
  
 
 
  
       3.31    3.31
       4.66    4.67
   
          7.95829038 
       1023.72844415 
      -4665.54728876 
        267.37818680 
       3386.16459151 
      -3349.57830902 
         -0.01332531 
       -430.46693406 
       4479.85424013 
        719.47789582 
        719.49122113 
        719.48233759 
   
  
  
       4.01    4.01
       4.00    4.01
   
        166.92207211 
        166.93691488 
        166.92701970 
   
  
  
       3.84    3.84
       3.84    3.84
   
        -84.97552395 
        -84.94345758 
        -84.96483516 
   
  
  
       3.24    3.24
       3.24    3.24
   
       -119.13652086 
       -119.20351124 
       -119.15885099 
   
  
  
       4.44    4.45
       4.84    4.85
   
       -120.75568387 
       -120.66675047 
       -120.72603940 
   
  
  
       3.68    3.69
       5.36    5.37
   
       -183.83963425 
       -183.82273829 
       -183.83400226 
   
  
  
       3.31    3.31
       5.01    5.02
   
       -100.08981743 
       -100.16991260 
       -100.11651582 
   
  
  
       3.91    3.92
       5.59    5.60
   
        -97.63845746 
        -97.29962826 
        -97.52551439 
   
  
  
       3.73    3.74
       5.41    5.42
   
        -95.21597609 
        -95.29682423 
        -95.24292547 
   
  
  
       3.65    3.66
       5.37    5.38
   
       -100.77626290 
       -100.56402057 
       -100.70551545 
   
  
  
       3.79    3.80
       5.50    5.51
   
        -97.62680160 
        -97.57486817 
        -97.60949045 
   
  
  
       3.29    3.30
       4.92    4.93
   
        -96.71473466 
        -96.62522135 
        -96.68489689 
   
  
  
       4.00    4.01
       5.75    5.75
   
        -94.26749429 
        -93.69310855 
        -94.07603238 
   
  
  
       3.10    3.11
       4.82    4.82
   
        -94.32564559 
        -94.04155354 
        -94.23094824 
   
  
  
       3.67    3.68
       5.39    5.40
   
        -94.66267974 
        -94.48855129 
        -94.60463693 
   
  
  
       3.36    3.37
       5.07    5.08
   
        -94.66352310 
        -94.52321771 
        -94.61675463 
   
  
  
       4.02    4.03
       5.68    5.69
   
        -94.64040459 
        -94.71724319 
        -94.66601746 
   
  
  
       3.61    3.62
       5.32    5.33
   
        -93.66907233 
        -92.98187751 
        -93.44000739 
   
  
  
       3.57    3.58
       5.29    5.30
   
        -93.76948042 
        -93.20632970 
        -93.58176351 
   
  
  
       3.25    3.25
       4.96    4.96
   
        -93.44255864 
        -92.92660185 
        -93.27057304 
   
  
  
       3.54    3.54
       5.24    5.25
   
        -93.38728931 
        -92.85929689 
        -93.21129184 
   
  
  
       3.80    3.81
       5.52    5.53
   
        -93.84876116 
        -93.48487005 
        -93.72746413 
   
  
  
       3.79    3.79
       5.51    5.52
   
        -93.34665944 
        -92.90060571 
        -93.19797486 
   
  
  
       3.96    3.96
       5.70    5.70
   
        -93.14737222 
        -92.44952820 
        -92.91475755 
   
  
  
       3.84    3.85
       5.55    5.56
   
        -93.10583270 
        -92.28307197 
        -92.83157912 
   
  
  
       3.66    3.67
       5.43    5.44
   
        -93.17539591 
        -92.53411079 
        -92.96163421 
   
  
  
       3.40    3.40
       5.17    5.18
   
        -93.12073181 
        -92.51511592 
        -92.91885985 
   
  
  
       3.47    3.47
       5.22    5.22
   
        -93.08277710 
        -92.43324168 
        -92.86626529 
   
  
  
       4.02    4.03
       5.77    5.78
   
        -93.07407100 
        -92.36675698 
        -92.83829966 
   
  
  
       3.98    3.98
       5.72    5.73
   
        -93.10009187 
        -92.41905360 
        -92.87307912 
   
  
  
       3.91    3.92
       5.68    5.69
   
        -93.07679699 
        -92.32844428 
        -92.82734609 
   
  
  
       4.01    4.01
       5.76    5.76
   
        -93.11472101 
        -92.40016609 
        -92.87653604 
   
  
  
       3.65    3.66
       5.43    5.44
   
        -93.09619325 
        -92.29786912 
        -92.83008520 
   
  
  
       3.07    3.08
       4.89    4.90
   
        -93.09798371 
        -92.30002683 
        -92.83199808 
   
  
  
       3.88    3.89
       5.72    5.73
   
        -93.09509693 
        -92.29514953 
        -92.82844780 
   
  
  
       3.38    3.39
       5.15    5.16
   
        -93.09466712 
        -92.29566078 
        -92.82833167 
   
  
  
       3.99    4.00
       5.74    5.75
   
        -93.09852391 
        -92.29402948 
        -92.83035910 
   
  
  
       4.16    4.17
       5.90    5.91
   
        -93.09644065 
        -92.28856996 
        -92.82715042 
   
  
  
       3.62    3.62
       5.57    5.58
   
        -93.09962126 
        -92.31855694 
        -92.83926649 
   
  
  
       4.37    4.37
       6.27    6.27
   
        -93.09801241 
        -92.31882337 
        -92.83828273 
   
  
  
       3.58    3.58
       5.48    5.49
   
        -93.10733738 
        -92.32948596 
        -92.84805357 
   
  
  
       3.99    4.00
       5.97    5.98
   
        -93.11557440 
        -92.32257253 
        -92.85124044 
   
  
  
       4.39    4.40
       6.38    6.39
   
        -93.10060615 
        -92.32243004 
        -92.84121411 
   
  
  
       3.71    3.72
       5.72    5.73
   
        -93.08993573 
        -92.30594527 
        -92.82860558 
   
  
  
       4.29    4.29
       6.32    6.33
   
        -93.08864925 
        -92.30884181 
        -92.82871344 
   
  
  
       3.72    3.72
       5.71    5.72
   
        -93.08642155 
        -92.30074411 
        -92.82452907 
   
  
  
       3.09    3.10
       5.23    5.24
   
        -93.09128368 
        -92.30841811 
        -92.83032849 
   
  
  
       2.38    2.38
       4.33    4.34
   
        -93.08638661 
        -92.30194006 
        -92.82490443 
   
  
  
       2.63    2.63
       4.35    4.36
   
        -93.08881285 
        -92.30313254 
        -92.82691941 
   
  
  
       1.93    1.93
       3.69    3.70
   
        -93.08815709 
        -92.30276950 
        -92.82636123 
   
  
  
       2.16    2.17
       3.82    3.82
   
        -93.08655940 
        -92.30269273 
        -92.82527051 
   
  
  
       2.91    2.91
       4.39    4.39
   
        -93.09020215 
        -92.30230743 
        -92.82757058 
   
  
  
       2.38    2.38
       3.71    3.71
   
        -93.08262019 
        -92.30102547 
        -92.82208862 
   
  
  
       2.72    2.72
       3.88    3.88
   
        -93.08994729 
        -92.30786497 
        -92.82925318 
   
  
  
       2.32    2.33
       3.50    3.50
   
        -93.09356249 
        -92.31616231 
        -92.83442910 
   
  
  
       2.07    2.08
       3.16    3.16
   
        -93.10009749 
        -92.32330254 
        -92.84116584