vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2026 02 02 
  12:28:22 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.73000000      1.11000000      0.77000000      0.32000000      0.75000000
        0.05400000      0.06000000      0.00600000      0.13100000      0.18600000      0.01100000      0.00200000      0.04900000      0.00400000      0.00000000      0.00100000      0.00100000     -0.00100000      0.00300000      0.00100000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
      0.00000000     -0.00300000      0.74600000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           11.00000000       0.00000000       0.00000000 
            0.00000000      10.00000000       0.00000000 
            0.00000000       0.00000000      10.00000000 
    
       1100.00000000 
    
            0.09090909       0.00000000       0.00000000 
            0.00000000       0.10000000       0.00000000 
            0.00000000       0.00000000       0.10000000 
    
   
   
           0.09751038       0.34383791       0.45138852 
           0.82702526       0.30567736       0.73804468 
           0.01945899       0.22339240       0.47270936 
           0.78921778       0.36524465       0.89237742 
           0.88931009       0.31165889       0.56528575 
           0.07911979       0.44988419       0.09076026 
           0.59004289       0.66426025       0.23001518 
           0.22606270       0.63904914       0.67665576 
           0.37417707       0.68387241       0.55797615 
           0.57050729       0.97986106       0.91322639 
           0.92941687       0.81803915       0.24814966 
           0.51939458       0.57587524       0.40373177 
           0.17426980       0.93376009       0.18531562 
           0.73703046       0.49094016       0.61249451 
           0.04000104       0.51911287       0.49651720 
           0.01899560       0.97072619       0.60521418 
           0.75874299       0.73083677       0.19437967 
           0.32381253       0.08699497       0.60912297 
           0.81334539       0.45870440       0.82055703 
           0.89512313       0.61357699       0.47674828 
           0.27031403       0.65624772       0.70550234 
           0.45328127       0.30105291       0.14058349 
           0.10365149       0.89124869       0.53298275 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
  
 
 
  
          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 
          0.50000000       0.00000000       0.50000000 
          0.00000000       0.50000000       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
       40
       -1
       -1
        50.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
          0.05400000      0.06000000      0.00600000      0.13100000      0.18600000      0.01100000      0.00200000      0.04900000      0.00400000      0.00000000      0.00100000      0.00100000     -0.00100000      0.00300000      0.00100000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
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         -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
           0.00000006
           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
   
  
  
       54
       50
       50
      108
      100
      100
    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
         0.73000000      1.11000000      0.77000000      0.32000000      0.75000000
      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  
        16.00000000     28.08500000     12.01100000      1.00000000     14.00100000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      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
        28.69565217
         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  
  
 
 
        23 
         5 
  
   ion
   element
   atomtype
   
    O    1
    Si   2
    Si   2
    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
    N    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       4C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      15H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
          11.00000000       0.00000000       0.00000000 
           0.00000000      10.00000000       0.00000000 
           0.00000000       0.00000000      10.00000000 
   
      1100.00000000 
   
           0.09090909       0.00000000       0.00000000 
           0.00000000       0.10000000       0.00000000 
           0.00000000       0.00000000       0.10000000 
   
  
  
          0.09751038       0.34383791       0.45138852 
          0.82702526       0.30567736       0.73804468 
          0.01945899       0.22339240       0.47270936 
          0.78921778       0.36524465       0.89237742 
          0.88931009       0.31165889       0.56528575 
          0.07911979       0.44988419       0.09076026 
          0.59004289       0.66426025       0.23001518 
          0.22606270       0.63904914       0.67665576 
          0.37417707       0.68387241       0.55797615 
          0.57050729       0.97986106       0.91322639 
          0.92941687       0.81803915       0.24814966 
          0.51939458       0.57587524       0.40373177 
          0.17426980       0.93376009       0.18531562 
          0.73703046       0.49094016       0.61249451 
          0.04000104       0.51911287       0.49651720 
          0.01899560       0.97072619       0.60521418 
          0.75874299       0.73083677       0.19437967 
          0.32381253       0.08699497       0.60912297 
          0.81334539       0.45870440       0.82055703 
          0.89512313       0.61357699       0.47674828 
          0.27031403       0.65624772       0.70550234 
          0.45328127       0.30105291       0.14058349 
          0.10365149       0.89124869       0.53298275 
  
 
 
  
       7.72    7.84
       7.96    8.08
   
          8.19223027 
       -116.92306936 
      -1228.65268605 
        101.13499375 
       1193.74450417 
      -1163.95454741 
          0.00459789 
       -233.93500358 
       1678.55807637 
        238.16909605 
        238.16449816 
        238.16756342 
   
  
  
      12.82   12.83
      12.82   12.83
   
         -0.74041754 
         -0.74231880 
         -0.74105129 
   
  
  
      11.80   11.81
      11.81   11.82
   
        -61.26346701 
        -61.20276303 
        -61.24323235 
   
  
  
      10.97   10.98
      10.98   10.98
   
        -65.17236502 
        -65.09797202 
        -65.14756736 
   
  
  
      13.11   13.12
      13.18   13.19
   
        -65.32360797 
        -65.24790152 
        -65.29837248 
   
  
  
      10.78   10.80
      11.08   11.10
   
        -88.34412348 
        -88.37142431 
        -88.35322375 
   
  
  
      10.16   10.17
      10.46   10.47
   
        -54.63505738 
        -54.59909642 
        -54.62307040 
   
  
  
      11.39   11.40
      11.70   11.71
   
        -56.63349153 
        -56.65156254 
        -56.63951520 
   
  
  
      11.07   11.08
      11.37   11.38
   
        -55.25646885 
        -55.21762266 
        -55.24352012 
   
  
  
      12.17   12.18
      12.48   12.49
   
        -53.87894502 
        -53.86248562 
        -53.87345855 
   
  
  
       9.45    9.46
       9.75    9.76
   
        -53.78527515 
        -53.70397736 
        -53.75817589 
   
  
  
       9.94    9.94
      10.25   10.26
   
        -54.12133083 
        -54.12855678 
        -54.12373948 
   
  
  
      10.06   10.07
      10.39   10.40
   
        -54.04554674 
        -54.05134916 
        -54.04748088 
   
  
  
      11.68   11.69
      11.98   11.98
   
        -53.99583002 
        -54.01535353 
        -54.00233786 
   
  
  
      10.02   10.03
      10.33   10.34
   
        -54.17254281 
        -54.16659971 
        -54.17056178 
   
  
  
      10.59   10.59
      10.89   10.90
   
        -54.53446268 
        -54.54596174 
        -54.53829570 
   
  
  
      10.50   10.51
      10.80   10.80
   
        -54.40084293 
        -54.41060691 
        -54.40409759 
   
  
  
      11.28   11.28
      11.58   11.59
   
        -54.42262857 
        -54.43005200 
        -54.42510305 
   
  
  
      10.46   10.46
      10.77   10.78
   
        -54.45395724 
        -54.46310485 
        -54.45700644 
   
  
  
      10.08   10.08
      10.38   10.38
   
        -54.43617091 
        -54.45164453 
        -54.44132878 
   
  
  
      10.80   10.82
      11.11   11.13
   
        -54.44037626 
        -54.45615839 
        -54.44563697 
   
  
  
      10.54   10.55
      10.85   10.86
   
        -54.45326140 
        -54.46895238 
        -54.45849173 
   
  
  
      11.29   11.30
      11.60   11.61
   
        -54.50144433 
        -54.51773020 
        -54.50687295 
   
  
  
      10.73   10.74
      11.04   11.05
   
        -54.61119186 
        -54.62768838 
        -54.61669070 
   
  
  
      11.15   11.16
      11.46   11.47
   
        -54.93215016 
        -54.93818400 
        -54.93416144 
   
  
  
      10.30   10.31
      10.61   10.63
   
        -55.88632981 
        -55.87094335 
        -55.88120099 
   
  
  
       9.30    9.32
       9.62    9.64
   
        -48.65154551 
        -48.59736901 
        -48.63348668 
   
  
  
      10.08   10.08
      10.39   10.40
   
        -44.51845056 
        -44.47495488 
        -44.50395200 
   
  
  
      10.22   10.23
      10.54   10.55
   
        -45.07851204 
        -45.05355656 
        -45.07019355 
   
  
  
      10.75   10.76
      11.07   11.08
   
        -44.95610239 
        -44.93873159 
        -44.95031212 
   
  
  
      12.93   12.94
      13.26   13.27
   
        -44.93313158 
        -44.91554805 
        -44.92727040 
   
  
  
      10.66   10.66
      10.97   10.98
   
        -44.03601937 
        -44.02480317 
        -44.03228064 
   
  
  
      10.33   10.33
      10.65   10.65
   
        -43.97330830 
        -43.96213425 
        -43.96958362 
   
  
  
      11.39   11.42
      11.71   11.75
   
        -44.13507754 
        -44.11884625 
        -44.12966711 
   
  
  
      10.02   10.03
      10.36   10.36
   
        -43.87795481 
        -43.85902945 
        -43.87164635 
   
  
  
       9.27    9.29
       9.59    9.61
   
        -44.04675398 
        -44.03976362 
        -44.04442386 
   
  
  
       9.61    9.62
       9.94    9.95
   
        -46.07986025 
        -46.01283554 
        -46.05751868 
   
  
  
      10.93   10.93
      11.25   11.26
   
        -46.92856767 
        -46.86496648 
        -46.90736727 
   
  
  
      10.59   10.59
      10.90   10.91
   
        -47.66718635 
        -47.64507993 
        -47.65981754 
   
  
  
      10.09   10.09
      10.41   10.42
   
        -47.80463587 
        -47.78160778 
        -47.79695984 
   
  
  
       9.35    9.36
       9.69    9.70
   
        -47.42081095 
        -47.40154909 
        -47.41439033 
   
  
  
      10.01   10.02
      10.34   10.34
   
        -49.35132437 
        -49.33323980 
        -49.34529618 
   
  
  
      10.29   10.29
      10.62   10.63
   
        -50.44039361 
        -50.40432480 
        -50.42837068 
   
  
  
      11.27   11.28
      11.61   11.61
   
        -50.64865931 
        -50.61724022 
        -50.63818628 
   
  
  
      11.84   11.85
      12.16   12.18
   
        -50.64746032 
        -50.61576976 
        -50.63689680 
   
  
  
      10.51   10.51
      10.84   10.85
   
        -51.92297992 
        -51.89644365 
        -51.91413450 
   
  
  
      13.96   13.97
      14.30   14.31
   
        -84.22741127 
        -84.18054095 
        -84.21178783 
   
  
  
      12.57   12.59
      12.93   12.95
   
       -583.62272561 
       -583.58461618 
       -583.61002247 
   
  
  
      11.24   11.25
      11.60   11.61
   
        -42.07774892 
        -42.08453411 
        -42.08001065 
   
  
  
      11.39   11.40
      11.73   11.74
   
        -47.12124851 
        -47.11960618 
        -47.12070107 
   
  
  
       9.55    9.56
       9.89    9.90
   
        -52.64497494 
        -52.65501119 
        -52.64832036 
   
  
  
      10.12   10.14
      10.44   10.47
   
        -53.19353768 
        -53.16271355 
        -53.18326297 
   
  
  
       9.40    9.40
       9.73    9.73
   
        -52.99222450 
        -53.00877151 
        -52.99774017 
   
  
  
       8.94    8.94
       9.26    9.27
   
        -52.88601287 
        -52.90354341 
        -52.89185638 
   
  
  
       8.55    8.56
       8.88    8.89
   
        -53.41751082 
        -53.44081090 
        -53.42527751 
   
  
  
       9.57    9.57
       9.90    9.90
   
        -56.34440716 
        -56.31482234 
        -56.33454556 
   
  
  
      10.06   10.08
      10.39   10.41
   
        -53.74157521 
        -53.75091638 
        -53.74468893 
   
  
  
       9.60    9.61
       9.92    9.93
   
        -53.66763664 
        -53.68474948 
        -53.67334092 
   
  
  
       9.05    9.06
       9.37    9.38
   
        -54.58398714 
        -54.54593747 
        -54.57130392 
   
  
  
       9.19    9.20
       9.50    9.51
   
        -56.36143735 
        -56.34723131 
        -56.35670200 
   
  
  
       8.12    8.12
       8.43    8.44
   
        -56.66494242 
        -56.63013334 
        -56.65333940 
   
  
  
       8.16    8.17
       8.48    8.49
   
        -56.51228622 
        -56.48258201 
        -56.50238482 
   
  
  
       9.80    9.82
      10.12   10.13
   
        -56.63449148 
        -56.60767668 
        -56.62555322 
   
  
  
       9.06    9.09
       9.39    9.41
   
        -56.44165045 
        -56.41671264 
        -56.43333785 
   
  
  
      10.53   10.54
      10.84   10.85
   
        -56.42483703 
        -56.40007199 
        -56.41658201 
   
  
  
       8.76    8.77
       9.07    9.08
   
        -54.80852063 
        -54.80019678 
        -54.80574602 
   
  
  
       9.35    9.36
       9.67    9.68
   
        -55.08567608 
        -55.07686825 
        -55.08274013 
   
  
  
       9.54    9.55
       9.87    9.87
   
        -54.85841225 
        -54.85188872 
        -54.85623774 
   
  
  
       9.50    9.51
       9.82    9.83
   
        -54.80690783 
        -54.80080159 
        -54.80487242 
   
  
  
       9.30    9.31
       9.64    9.65
   
        -54.92048436 
        -54.91599585 
        -54.91898819 
   
  
  
       8.66    8.68
       8.98    8.99
   
        -55.16327700 
        -55.14573354 
        -55.15742918 
   
  
  
       8.64    8.65
       8.96    8.97
   
        -55.03551578 
        -55.04526282 
        -55.03876479 
   
  
  
       8.91    8.91
       9.23    9.24
   
        -55.76905058 
        -55.76669664 
        -55.76826593 
   
  
  
       8.66    8.67
       8.98    8.99
   
        -56.02352584 
        -56.02965478 
        -56.02556882 
   
  
  
       8.59    8.60
       8.91    8.93
   
        -55.38526539 
        -55.40411294 
        -55.39154791 
   
  
  
       9.08    9.08
       9.40    9.41
   
        -57.60690309 
        -57.60597810 
        -57.60659476 
   
  
  
       9.84    9.85
      10.16   10.17
   
        -57.91447716 
        -57.91336135 
        -57.91410522 
   
  
  
       9.76    9.76
      10.08   10.09
   
        -57.84147620 
        -57.83562664 
        -57.83952634 
   
  
  
       9.27    9.28
       9.61    9.62
   
        -57.87798176 
        -57.86874164 
        -57.87490172 
   
  
  
       9.01    9.03
       9.33    9.34
   
        -57.76187696 
        -57.75963923 
        -57.76113105 
   
  
  
       8.63    8.64
       8.94    8.95
   
        -57.95714299 
        -57.97221816 
        -57.96216805 
   
  
  
       9.11    9.12
       9.43    9.44
   
        -58.02372503 
        -58.04143517 
        -58.02962841 
   
  
  
      10.27   10.29
      10.60   10.61
   
        -58.03604702 
        -58.05436840 
        -58.04215414 
   
  
  
       9.24    9.25
       9.56    9.56
   
        -58.05084297 
        -58.06863662 
        -58.05677418 
   
  
  
       9.52    9.53
       9.85    9.86
   
        -58.11099025 
        -58.13171681 
        -58.11789911