vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  04:40:13 
 
 
  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      0.77000000      0.32000000
        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      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      0.10700000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      19.66310000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       1632.96160543 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.05085668       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.78407125       0.48539911       0.14195681 
           0.78825351       0.20049707       0.41407371 
           0.02120244       0.55775571       0.27431332 
           0.02847400       0.21596645       0.27865905 
           0.88876474       0.36917622       0.24541817 
           0.91714417       0.43004871       0.40172055 
           0.25237064       0.38731601       0.21744139 
           0.18850902       0.46884793       0.34827934 
           0.08183004       0.45370095       0.62900741 
           0.85036667       0.49166030       0.87529254 
           0.34481944       0.51483668       0.70457436 
           0.31321273       0.36329781       0.79939531 
           0.86295019       0.30473920       0.51355334 
           0.82561455       0.41353897       0.86784849 
           0.07658872       0.43911193       0.61745220 
           0.14713356       0.47907473       0.89962413 
           0.22296266       0.51110968       0.10369004 
           0.24176662       0.22496169       0.45644503 
           0.50586083       0.53673078       0.18970137 
           0.48165909       0.26687352       0.39649478 
           0.40589321       0.31907631       0.97293821 
           0.46434587       0.55025963       0.52266428 
           0.52726880       0.37089622       0.23913809 
           0.62483401       0.44453382       0.33795275 
           0.53031857       0.50198345       0.57641274 
           0.37587694       0.17263981       0.86046676 
           0.64396172       0.57083895       0.60777800 
           0.41494175       0.36943102       0.74775566 
           0.30635534       0.37253766       0.44957187 
           0.39168763       0.44200184       0.94917165 
           0.54300306       0.47306996       0.58644291 
           0.54036801       0.48854251       0.81848272 
           0.38850750       0.67378481       0.54670312 
           0.33427950       0.47438180       0.55601912 
           0.42297360       0.49930185       0.67383152 
           0.51480225       0.51188010       0.54150819 
           0.48087286       0.37540242       0.59900601 
   
  
  
           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 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       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       0.00000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       87
       -1
       -1
       136.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
          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      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      0.10700000
         -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
   
  
  
       40
       96
       54
       80
      192
      108
    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      0.77000000      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
  
  
        1
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     12.01100000      1.00000000
         0.00000000      0.00000000      0.00000000
         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
        26.48045847
         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  
  
 
 
        37 
         3 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    C    2
    H    3
    H    3
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       4H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      19.66310000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      1632.96160543 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.05085668       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.78407125       0.48539911       0.14195681 
          0.78825351       0.20049707       0.41407371 
          0.02120244       0.55775571       0.27431332 
          0.02847400       0.21596645       0.27865905 
          0.88876474       0.36917622       0.24541817 
          0.91714417       0.43004871       0.40172055 
          0.25237064       0.38731601       0.21744139 
          0.18850902       0.46884793       0.34827934 
          0.08183004       0.45370095       0.62900741 
          0.85036667       0.49166030       0.87529254 
          0.34481944       0.51483668       0.70457436 
          0.31321273       0.36329781       0.79939531 
          0.86295019       0.30473920       0.51355334 
          0.82561455       0.41353897       0.86784849 
          0.07658872       0.43911193       0.61745220 
          0.14713356       0.47907473       0.89962413 
          0.22296266       0.51110968       0.10369004 
          0.24176662       0.22496169       0.45644503 
          0.50586083       0.53673078       0.18970137 
          0.48165909       0.26687352       0.39649478 
          0.40589321       0.31907631       0.97293821 
          0.46434587       0.55025963       0.52266428 
          0.52726880       0.37089622       0.23913809 
          0.62483401       0.44453382       0.33795275 
          0.53031857       0.50198345       0.57641274 
          0.37587694       0.17263981       0.86046676 
          0.64396172       0.57083895       0.60777800 
          0.41494175       0.36943102       0.74775566 
          0.30635534       0.37253766       0.44957187 
          0.39168763       0.44200184       0.94917165 
          0.54300306       0.47306996       0.58644291 
          0.54036801       0.48854251       0.81848272 
          0.38850750       0.67378481       0.54670312 
          0.33427950       0.47438180       0.55601912 
          0.42297360       0.49930185       0.67383152 
          0.51480225       0.51188010       0.54150819 
          0.48087286       0.37540242       0.59900601 
  
 
 
  
       6.34    6.40
       6.96    7.02
   
         24.95083145 
      10986.30722541 
     -12819.48964870 
       -280.01371293 
       2937.01645563 
      -2374.63634374 
          0.01040341 
       -256.38541752 
       3495.14563384 
       1712.90542686 
       1712.89502344 
       1712.90195905 
   
  
  
       8.37    8.37
       8.37    8.37
   
        863.08463968 
        863.08111006 
        863.08346314 
   
  
  
       9.98    9.98
       9.98    9.98
   
        686.50487849 
        686.50135468 
        686.50370389 
   
  
  
       8.27    8.27
       8.27    8.27
   
        661.01923780 
        661.03786682 
        661.02544747 
   
  
  
       8.19    8.19
       8.29    8.29
   
        658.86442280 
        658.87899904 
        658.86928155 
   
  
  
       8.85    8.85
       9.55    9.55
   
        700.80796097 
        700.80545694 
        700.80712629 
   
  
  
       7.98    7.98
       8.71    8.71
   
        781.82934152 
        781.84257228 
        781.83375177 
   
  
  
       7.61    7.61
       8.34    8.34
   
        787.15942838 
        787.17203640 
        787.16363106 
   
  
  
       7.90    7.90
       8.66    8.66
   
        785.65391519 
        785.63556615 
        785.64779884 
   
  
  
       7.89    7.89
       8.63    8.63
   
        765.13372829 
        765.10948486 
        765.12564714 
   
  
  
       8.44    8.44
       9.17    9.17
   
        775.60153467 
        775.58162957 
        775.59489964 
   
  
  
       6.96    6.96
       7.70    7.70
   
        770.90586145 
        770.91331931 
        770.90834740 
   
  
  
       7.98    7.98
       8.71    8.71
   
        769.34863095 
        769.33936139 
        769.34554109 
   
  
  
       7.86    7.86
       8.60    8.60
   
        778.42608706 
        778.40157532 
        778.41791648 
   
  
  
       6.93    6.93
       7.67    7.67
   
        777.91533436 
        777.90503493 
        777.91190121 
   
  
  
       6.71    6.71
       7.44    7.45
   
        786.02663422 
        786.02094014 
        786.02473620 
   
  
  
       6.66    6.66
       7.39    7.39
   
        789.54430958 
        789.53587287 
        789.54149734 
   
  
  
       7.10    7.10
       7.85    7.85
   
        794.86291244 
        794.87509263 
        794.86697250 
   
  
  
       5.02    5.02
       5.75    5.75
   
        794.78434688 
        794.80066185 
        794.78978521 
   
  
  
       5.10    5.11
       5.84    5.84
   
        794.94814969 
        794.94844753 
        794.94824897 
   
  
  
       4.96    4.96
       5.70    5.70
   
        794.35906219 
        794.39533939 
        794.37115459 
   
  
  
       5.27    5.27
       6.01    6.01
   
        794.51908248 
        794.54020616 
        794.52612371 
   
  
  
       5.65    5.65
       6.41    6.41
   
        793.70544524 
        793.73577822 
        793.71555623 
   
  
  
       4.88    4.88
       5.63    5.63
   
        793.78303916 
        793.81806598 
        793.79471477 
   
  
  
       6.35    6.35
       7.09    7.09
   
        793.79189525 
        793.82612827 
        793.80330625 
   
  
  
       5.06    5.06
       5.81    5.81
   
        793.88277408 
        793.91777087 
        793.89443968 
   
  
  
       4.53    4.53
       5.27    5.27
   
        794.23737080 
        794.26706442 
        794.24726867 
   
  
  
       3.57    3.57
       4.31    4.31
   
        794.21988928 
        794.24480158 
        794.22819338 
   
  
  
       3.57    3.57
       4.32    4.32
   
        794.20471452 
        794.22959335 
        794.21300746 
   
  
  
       4.31    4.31
       5.06    5.06
   
        793.58548352 
        793.61495582 
        793.59530762 
   
  
  
       5.13    5.13
       5.90    5.90
   
        793.56837724 
        793.59693101 
        793.57789516 
   
  
  
       4.90    4.90
       5.66    5.66
   
        793.33233948 
        793.36018433 
        793.34162110 
   
  
  
       4.71    4.71
       5.49    5.49
   
        793.24801921 
        793.28265836 
        793.25956560 
   
  
  
       3.50    3.50
       4.28    4.28
   
        793.17872818 
        793.21411036 
        793.19052224 
   
  
  
       4.69    4.69
       5.49    5.49
   
        793.13530583 
        793.17151505 
        793.14737557 
   
  
  
       3.60    3.60
       4.38    4.39
   
        793.21542443 
        793.24323375 
        793.22469420 
   
  
  
       3.37    3.37
       4.15    4.15
   
        802.50084112 
        802.52666706 
        802.50944977 
   
  
  
       4.74    4.74
       5.53    5.53
   
        807.74815210 
        807.77137409 
        807.75589277 
   
  
  
       5.27    5.27
       6.07    6.07
   
        806.76863438 
        806.79175180 
        806.77634019 
   
  
  
       4.34    4.34
       5.13    5.13
   
        807.00069470 
        807.02346508 
        807.00828483 
   
  
  
       4.30    4.30
       5.08    5.08
   
        805.23735526 
        805.26012882 
        805.24494645 
   
  
  
       4.50    4.50
       5.28    5.28
   
        801.21068561 
        801.22528942 
        801.21555355 
   
  
  
       4.70    4.70
       5.52    5.52
   
        799.60648563 
        799.61981920 
        799.61093015 
   
  
  
       5.11    5.11
       5.91    5.91
   
        796.05514023 
        796.06583941 
        796.05870662 
   
  
  
       5.10    5.10
       5.90    5.90
   
        797.79980689 
        797.80557419 
        797.80172932 
   
  
  
       5.27    5.27
       6.07    6.07
   
        799.28220145 
        799.28904076 
        799.28448122 
   
  
  
       4.97    4.98
       5.78    5.78
   
        799.04517745 
        799.05137320 
        799.04724270 
   
  
  
       4.73    4.73
       5.55    5.55
   
        799.37532929 
        799.38183582 
        799.37749813 
   
  
  
       4.29    4.29
       5.12    5.12
   
        797.05479385 
        797.05989438 
        797.05649402 
   
  
  
       3.63    3.63
       4.45    4.45
   
        796.62979111 
        796.63483879 
        796.63147367 
   
  
  
       3.28    3.28
       4.09    4.09
   
        798.67851831 
        798.68037744 
        798.67913802 
   
  
  
       3.58    3.58
       4.40    4.40
   
        796.71000283 
        796.71062097 
        796.71020888 
   
  
  
       4.11    4.11
       4.93    4.93
   
        796.49402473 
        796.51019455 
        796.49941467 
   
  
  
       4.91    4.91
       5.73    5.73
   
        797.07311260 
        797.09302316 
        797.07974945 
   
  
  
       5.47    5.47
       6.28    6.28
   
        797.68029545 
        797.70064116 
        797.68707735 
   
  
  
       4.66    4.66
       5.46    5.46
   
        797.89430644 
        797.92450061 
        797.90437116 
   
  
  
       4.37    4.38
       5.19    5.20
   
        796.98210364 
        797.01756475 
        796.99392401 
   
  
  
       4.80    4.80
       5.63    5.64
   
        796.16514345 
        796.19545607 
        796.17524766 
   
  
  
       5.13    5.13
       5.95    5.95
   
        795.22892633 
        795.24549088 
        795.23444785 
   
  
  
       4.53    4.53
       5.35    5.35
   
        796.25284260 
        796.26979288 
        796.25849269 
   
  
  
       4.75    4.75
       5.57    5.57
   
        804.27245688 
        804.29668800 
        804.28053392 
   
  
  
       4.64    4.64
       5.46    5.46
   
        802.17848085 
        802.20717736 
        802.18804636 
   
  
  
       4.62    4.62
       5.49    5.49
   
        803.31639071 
        803.34501283 
        803.32593141 
   
  
  
       4.17    4.17
       5.00    5.00
   
        803.82581908 
        803.85496432 
        803.83553416 
   
  
  
       4.15    4.15
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        804.07711610 
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       4.36    4.36
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        838.88995205 
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       4.83    4.83
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        842.75337427 
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       4.24    4.24
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       4.31    4.31
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       3.36    3.36
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        842.07027318 
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       3.13    3.13
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        930.06851026 
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       4.43    4.44
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       5.64    5.64
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       5.53    5.53
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       4.29    4.29
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       4.17    4.18
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        830.45898298 
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       4.39    4.39
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       4.30    4.30
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       5.19    5.19
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        817.41272428 
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       3.82    3.82
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       4.91    4.91
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       2.93    2.93
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       3.20    3.20
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       4.67    4.67
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       6.08    6.08
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       4.96    4.96
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       4.84    4.84
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       4.85    4.85
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