vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2026 01 31 
  16:28:38 
 
 
  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
        0.10600000      0.02000000      0.02000000      0.00800000      0.05300000      0.06000000      0.01100000      0.00300000      0.00400000      0.00000000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00000000      0.00100000      0.00000000      0.00100000      0.00000000
      0.00000000     -0.00600000      1.08700000
  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 
    
   
   
           0.12757495       0.51704150       0.20439364 
           0.89880566       0.28679967       0.83333741 
           0.86244972       0.35792734       0.65036249 
           0.66450063       0.70080871       0.67780352 
           0.70750998       0.78174358       0.37213775 
           0.25391664       0.49092644       0.11979359 
           0.64825652       0.80479768       0.98521770 
           0.96978283       0.72582765       0.57078782 
           0.49261482       0.85122495       0.39215225 
           0.24334502       0.24419619       0.35944643 
           0.13086266       0.33031890       0.46722600 
           0.17073162       0.52244833       0.64965733 
           0.92760919       0.90979509       0.57742057 
           0.50043945       0.65772279       0.32532858 
           0.15355307       0.61142305       0.78332067 
           0.05561820       0.90237495       0.78148565 
           0.87081336       0.67110258       0.00030870 
           0.19106098       0.95264829       0.65247299 
           0.89217394       0.01472293       0.41484590 
           0.33741075       0.99614191       0.30884077 
           0.22026647       0.53870376       0.77709063 
           0.07244880       0.59660053       0.72408458 
           0.84623065       0.17532758       0.22616906 
   
  
  
           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
       39
       -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  
          0.10600000      0.02000000      0.02000000      0.00800000      0.05300000      0.06000000      0.01100000      0.00300000      0.00400000      0.00000000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00000000      0.00100000      0.00000000      0.00100000      0.00000000
      0.00000000     -0.00600000      1.08700000
         -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
  
  
        3
        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 
   
  
  
          0.12757495       0.51704150       0.20439364 
          0.89880566       0.28679967       0.83333741 
          0.86244972       0.35792734       0.65036249 
          0.66450063       0.70080871       0.67780352 
          0.70750998       0.78174358       0.37213775 
          0.25391664       0.49092644       0.11979359 
          0.64825652       0.80479768       0.98521770 
          0.96978283       0.72582765       0.57078782 
          0.49261482       0.85122495       0.39215225 
          0.24334502       0.24419619       0.35944643 
          0.13086266       0.33031890       0.46722600 
          0.17073162       0.52244833       0.64965733 
          0.92760919       0.90979509       0.57742057 
          0.50043945       0.65772279       0.32532858 
          0.15355307       0.61142305       0.78332067 
          0.05561820       0.90237495       0.78148565 
          0.87081336       0.67110258       0.00030870 
          0.19106098       0.95264829       0.65247299 
          0.89217394       0.01472293       0.41484590 
          0.33741075       0.99614191       0.30884077 
          0.22026647       0.53870376       0.77709063 
          0.07244880       0.59660053       0.72408458 
          0.84623065       0.17532758       0.22616906 
  
 
 
  
       7.58    7.67
       8.19    8.27
   
          8.19223027 
       -495.43644308 
       -904.06382818 
         97.00795039 
       1193.66451248 
      -1163.87096665 
          0.00029218 
       -205.69922912 
       1678.55807637 
        208.35259465 
        208.35230247 
        208.35249726 
   
  
  
      11.29   11.36
      11.30   11.36
   
          2.74158045 
          2.74453140 
          2.74256410 
   
  
  
      10.42   10.48
      10.42   10.48
   
        -42.33600499 
        -42.31084510 
        -42.32761836 
   
  
  
      12.04   12.09
      12.04   12.09
   
        -45.28086551 
        -45.26973560 
        -45.27715554 
   
  
  
      12.14   12.19
      12.25   12.30
   
        -45.50695741 
        -45.50291562 
        -45.50561015 
   
  
  
      11.51   11.57
      12.16   12.21
   
        -97.22154805 
        -97.24788696 
        -97.23032769 
   
  
  
       9.64    9.69
      10.21   10.26
   
        -46.53344785 
        -46.53392497 
        -46.53360689 
   
  
  
      11.41   11.46
      12.02   12.07
   
        -42.47772461 
        -42.42843688 
        -42.46129537 
   
  
  
      12.39   12.45
      12.91   12.97
   
        -41.06273907 
        -41.01076242 
        -41.04541352 
   
  
  
      11.88   11.92
      12.39   12.43
   
        -40.00241663 
        -39.94057410 
        -39.98180245 
   
  
  
      10.78   10.83
      11.36   11.41
   
        -40.40323521 
        -40.39768759 
        -40.40138600 
   
  
  
      10.46   10.51
      11.04   11.10
   
        -40.80073855 
        -40.79734801 
        -40.79960837 
   
  
  
      11.23   11.29
      11.77   11.83
   
        -40.64020182 
        -40.63787709 
        -40.63942691 
   
  
  
      11.51   11.56
      12.05   12.10
   
        -41.13517359 
        -41.12097005 
        -41.13043908 
   
  
  
      11.12   11.17
      11.71   11.76
   
        -41.18492551 
        -41.18446294 
        -41.18477132 
   
  
  
      10.70   10.75
      11.23   11.28
   
        -41.19056542 
        -41.19244253 
        -41.19119113 
   
  
  
      12.43   12.49
      12.99   13.04
   
        -41.41379165 
        -41.39462733 
        -41.40740355 
   
  
  
      10.67   10.71
      11.22   11.26
   
        -41.74856947 
        -41.75114069 
        -41.74942654 
   
  
  
      10.22   10.28
      10.85   10.91
   
        -41.78537620 
        -41.79324430 
        -41.78799890 
   
  
  
       9.74    9.79
      10.33   10.39
   
        -41.71501042 
        -41.71179477 
        -41.71393854 
   
  
  
      10.42   10.47
      10.99   11.04
   
        -41.78321398 
        -41.80093749 
        -41.78912181 
   
  
  
      11.33   11.38
      12.00   12.05
   
        -41.82642900 
        -41.84318735 
        -41.83201512 
   
  
  
      10.07   10.11
      10.62   10.67
   
        -41.79604894 
        -41.80465213 
        -41.79891667 
   
  
  
      10.12   10.16
      10.65   10.70
   
        -41.81396058 
        -41.82211938 
        -41.81668018 
   
  
  
       9.78    9.85
      10.35   10.41
   
        -41.81738571 
        -41.82477248 
        -41.81984797 
   
  
  
      11.00   11.05
      11.56   11.61
   
        -41.78557118 
        -41.78769036 
        -41.78627757 
   
  
  
      12.39   12.44
      12.96   13.00
   
        -41.69403856 
        -41.69815336 
        -41.69541016 
   
  
  
      12.02   12.08
      12.60   12.66
   
        -41.69272134 
        -41.67410451 
        -41.68651573 
   
  
  
      11.42   11.48
      11.97   12.03
   
        -41.87725137 
        -41.85084177 
        -41.86844817 
   
  
  
      11.87   11.92
      12.43   12.49
   
        -42.29495555 
        -42.27604556 
        -42.28865222 
   
  
  
      10.37   10.43
      11.02   11.08
   
        -42.34282477 
        -42.32276313 
        -42.33613755 
   
  
  
      11.17   11.22
      11.74   11.78
   
        -42.27106477 
        -42.22474576 
        -42.25562510 
   
  
  
      11.57   11.62
      12.17   12.22
   
        -42.19569866 
        -42.16992371 
        -42.18710701 
   
  
  
      10.49   10.58
      11.07   11.17
   
        -42.33054869 
        -42.32584465 
        -42.32898067 
   
  
  
      12.10   12.15
      12.81   12.86
   
        -42.49260202 
        -42.50129551 
        -42.49549985 
   
  
  
      10.78   10.85
      11.37   11.44
   
        -42.52201601 
        -42.53289994 
        -42.52564399 
   
  
  
      10.78   10.83
      11.35   11.39
   
        -42.50420259 
        -42.52001757 
        -42.50947425 
   
  
  
      12.17   12.21
      12.74   12.79
   
        -42.49857445 
        -42.52246833 
        -42.50653908 
   
  
  
      11.02   11.07
      11.60   11.65
   
        -42.55653254 
        -42.61141833 
        -42.57482780 
   
  
  
      11.63   11.68
      12.21   12.26
   
        -42.58563574 
        -42.64905734 
        -42.60677627 
   
  
  
      10.38   10.44
      10.97   11.02
   
        -42.63894862 
        -42.69868234 
        -42.65885986 
   
  
  
      10.83   10.89
      11.46   11.51
   
        -42.59917452 
        -42.65629584 
        -42.61821496 
   
  
  
      10.35   10.40
      10.94   10.99
   
        -42.62996154 
        -42.67283078 
        -42.64425129 
   
  
  
      10.76   10.81
      11.35   11.39
   
        -43.08871005 
        -43.08241444 
        -43.08661151 
   
  
  
      11.25   11.30
      11.86   11.91
   
        -43.39037877 
        -43.40519598 
        -43.39531784 
   
  
  
      10.12   10.17
      10.71   10.76
   
        -43.76216976 
        -43.79462535 
        -43.77298829 
   
  
  
      10.14   10.21
      10.77   10.84
   
        -43.68126024 
        -43.71280665 
        -43.69177571 
   
  
  
      10.69   10.74
      11.37   11.42
   
        -43.39948445 
        -43.41762394 
        -43.40553095 
   
  
  
      11.22   11.26
      11.82   11.86
   
        -43.29978083 
        -43.30755354 
        -43.30237173 
   
  
  
      10.94   10.99
      11.60   11.65
   
        -43.08937655 
        -43.09989735 
        -43.09288349 
   
  
  
      11.08   11.13
      11.69   11.74
   
        -43.76346841 
        -43.77234091 
        -43.76642591 
   
  
  
       9.60    9.64
      10.19   10.23
   
        -43.68261067 
        -43.68947901 
        -43.68490011 
   
  
  
      11.06   11.12
      11.65   11.71
   
        -43.45221056 
        -43.45924917 
        -43.45455676 
   
  
  
       9.69    9.74
      10.29   10.34
   
        -40.86150364 
        -40.86592240 
        -40.86297656 
   
  
  
       9.24    9.30
       9.83    9.89
   
        -40.71313343 
        -40.71591295 
        -40.71405994 
   
  
  
      12.03   12.08
      12.66   12.72
   
       -477.75366250 
       -477.77547661 
       -477.76093387 
   
  
  
       9.73    9.80
      10.34   10.41
   
       -172.00143366 
       -172.02065112 
       -172.00783948 
   
  
  
       9.96   10.01
      10.56   10.61
   
        -28.37741193 
        -28.36392469 
        -28.37291618 
   
  
  
      10.00   10.04
      10.60   10.65
   
        -38.36654718 
        -38.40342004 
        -38.37883813 
   
  
  
       9.59    9.64
      10.27   10.33
   
        -39.79474090 
        -39.83702479 
        -39.80883553 
   
  
  
      10.56   10.62
      11.24   11.30
   
        -39.55667477 
        -39.64344335 
        -39.58559763 
   
  
  
      11.37   11.42
      11.98   12.02
   
       -156.04271172 
       -156.09109093 
       -156.05883812 
   
  
  
       9.60    9.65
      10.20   10.25
   
        -25.26787694 
        -25.18131149 
        -25.23902179 
   
  
  
      10.84   10.89
      11.42   11.47
   
        -34.19892091 
        -34.17058907 
        -34.18947696 
   
  
  
       9.84    9.90
      10.54   10.60
   
        -38.05017450 
        -38.08828464 
        -38.06287788 
   
  
  
       9.55    9.60
      10.24   10.29
   
        -44.03034628 
        -44.13902898 
        -44.06657384 
   
  
  
      10.90   10.94
      11.49   11.54
   
        -43.85344074 
        -43.94285036 
        -43.88324395 
   
  
  
      11.44   11.49
      12.09   12.14
   
        -44.07889983 
        -44.13638695 
        -44.09806220 
   
  
  
      11.73   11.78
      12.33   12.37
   
        -44.04065964 
        -44.07474550 
        -44.05202159 
   
  
  
      11.78   11.84
      12.43   12.49
   
        -44.10003787 
        -44.13450970 
        -44.11152848 
   
  
  
      11.70   11.74
      12.27   12.31
   
        -44.25758167 
        -44.28137634 
        -44.26551323 
   
  
  
      11.87   11.93
      12.47   12.53
   
        -44.34822397 
        -44.36009615 
        -44.35218136 
   
  
  
      11.72   11.77
      12.33   12.38
   
        -44.37459233 
        -44.38919799 
        -44.37946089 
   
  
  
      11.89   11.94
      12.51   12.57
   
        -44.43394095 
        -44.45476110 
        -44.44088100 
   
  
  
      11.84   11.88
      12.44   12.49
   
        -44.46786045 
        -44.49108336 
        -44.47560142 
   
  
  
      11.82   11.88
      12.40   12.45
   
        -44.61763600 
        -44.65083782 
        -44.62870327 
   
  
  
      11.26   11.31
      11.85   11.90
   
        -44.58553027 
        -44.62921979 
        -44.60009344 
   
  
  
       7.97    8.05
       8.56    8.64
   
        -43.09069740 
        -43.13548198 
        -43.10562559 
   
  
  
       9.58    9.65
      10.18   10.25
   
        -39.53638293 
        -39.57922916 
        -39.55066501 
   
  
  
      10.86   10.91
      11.53   11.59
   
        -40.51485658 
        -40.56785725 
        -40.53252347 
   
  
  
       9.88    9.93
      10.53   10.58
   
        -42.36842352 
        -42.41197339 
        -42.38294014 
   
  
  
      10.00   10.05
      10.64   10.69
   
        -41.67660581 
        -41.72007899 
        -41.69109687 
   
  
  
      11.59   11.65
      12.20   12.26
   
        -41.37811222 
        -41.41072406 
        -41.38898283 
   
  
  
      10.78   10.83
      11.37   11.43
   
        -41.67134261 
        -41.70072337 
        -41.68113620 
   
  
  
      11.38   11.43
      11.99   12.03
   
        -41.80876066 
        -41.82758774 
        -41.81503635 
   
  
  
      11.44   11.50
      12.10   12.16
   
        -44.79987790 
        -44.84145719 
        -44.81373767 
   
  
  
      10.05   10.09
      10.63   10.68
   
        -44.87727591 
        -44.92701540 
        -44.89385574 
   
  
  
      10.91   10.99
      11.58   11.65
   
        -44.92281252 
        -44.98700305 
        -44.94420936 
   
  
  
       8.37    8.42
       9.14    9.19
   
        -43.52289097 
        -43.59945477 
        -43.54841224 
   
  
  
       8.25    8.29
       8.99    9.03
   
        -44.95310877 
        -45.03360269 
        -44.97994008 
   
  
  
       9.60    9.64
      10.24   10.28
   
        -45.11754144 
        -45.20406383 
        -45.14638224 
   
  
  
      10.01   10.06
      10.59   10.64
   
        -45.40965022 
        -45.48413576 
        -45.43447874 
   
  
  
       7.29    7.35
       7.88    7.93
   
        -43.52011238 
        -43.55549517 
        -43.53190664