vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 18 
  21:20:47 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
      95
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.75000000      0.32000000      0.77000000      1.11000000      0.73000000
  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 
            0.00000000       0.06666667       0.00000000 
            0.00000000       0.00000000       0.06666667 
    
   
   
           0.74224998       0.42782359       0.59165695 
           0.76322664       0.44465783       0.65249207 
           0.78275735       0.43199908       0.54846545 
           0.14780525       0.51824766       0.36589140 
           0.20246620       0.61285893       0.36971190 
           0.21835586       0.52441480       0.29308660 
           0.10701293       0.55169575       0.65722612 
           0.14746482       0.64025928       0.59880121 
           0.10314548       0.55569002       0.53833128 
           0.41680696       0.43345336       0.29442542 
           0.41518924       0.34308913       0.37221824 
           0.34256223       0.41206987       0.35788172 
           0.52719348       0.27567089       0.57314150 
           0.52964107       0.34911837       0.48012715 
           0.55232404       0.38976181       0.58810459 
           0.24407054       0.69196717       0.50471746 
           0.30101566       0.66836285       0.59204666 
           0.32671691       0.65751918       0.47892744 
           0.43808285       0.62076243       0.55900307 
           0.44694347       0.55766452       0.65873834 
           0.50973039       0.55308169       0.57517003 
           0.32110886       0.44737113       0.64155863 
           0.30604400       0.37938719       0.54779451 
           0.32312668       0.44661285       0.56787178 
           0.20036311       0.53987848       0.36064230 
           0.13539608       0.56843503       0.59670262 
           0.39779428       0.41191040       0.35985121 
           0.51793430       0.34420924       0.55134331 
           0.28478977       0.64712602       0.52525016 
           0.45538177       0.55677852       0.58618810 
           0.41282451       0.45897162       0.53469740 
           0.25891307       0.52682648       0.52652183 
           0.24098046       0.49354821       0.42322299 
           0.19383396       0.51448357       0.59489968 
           0.42204759       0.47233590       0.42543425 
           0.44895628       0.36428406       0.56776627 
   
  
  
           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 
  
 
 
  
          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
        87.00000000
        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  
          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  
   
   
        95
        -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
         0.75000000      0.32000000      0.77000000      1.11000000      0.73000000
      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
  
  
        2
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        14.00100000      1.00000000     12.01100000     28.08500000     16.00000000
         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
        75.00000000
         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
       95
        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  
  
 
 
        36 
         5 
  
   ion
   element
   atomtype
   
    N    1
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    C    3
    C    3
    C    3
    C    3
    C    3
    C    3
    C    3
    Si   4
    Si   4
    O    5
    O    5
    O    5
    O    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
      22H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       7C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       4O      16.00000000      6.00000000  PAW_PBE O 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 
   
  
  
          0.74224998       0.42782359       0.59165695 
          0.76322664       0.44465783       0.65249207 
          0.78275735       0.43199908       0.54846545 
          0.14780525       0.51824766       0.36589140 
          0.20246620       0.61285893       0.36971190 
          0.21835586       0.52441480       0.29308660 
          0.10701293       0.55169575       0.65722612 
          0.14746482       0.64025928       0.59880121 
          0.10314548       0.55569002       0.53833128 
          0.41680696       0.43345336       0.29442542 
          0.41518924       0.34308913       0.37221824 
          0.34256223       0.41206987       0.35788172 
          0.52719348       0.27567089       0.57314150 
          0.52964107       0.34911837       0.48012715 
          0.55232404       0.38976181       0.58810459 
          0.24407054       0.69196717       0.50471746 
          0.30101566       0.66836285       0.59204666 
          0.32671691       0.65751918       0.47892744 
          0.43808285       0.62076243       0.55900307 
          0.44694347       0.55766452       0.65873834 
          0.50973039       0.55308169       0.57517003 
          0.32110886       0.44737113       0.64155863 
          0.30604400       0.37938719       0.54779451 
          0.32312668       0.44661285       0.56787178 
          0.20036311       0.53987848       0.36064230 
          0.13539608       0.56843503       0.59670262 
          0.39779428       0.41191040       0.35985121 
          0.51793430       0.34420924       0.55134331 
          0.28478977       0.64712602       0.52525016 
          0.45538177       0.55677852       0.58618810 
          0.41282451       0.45897162       0.53469740 
          0.25891307       0.52682648       0.52652183 
          0.24098046       0.49354821       0.42322299 
          0.19383396       0.51448357       0.59489968 
          0.42204759       0.47233590       0.42543425 
          0.44895628       0.36428406       0.56776627 
  
 
 
  
       4.33    4.47
       8.09    8.23
   
          6.34847707 
       5621.48039522 
      -8186.85809940 
        264.02966404 
       2564.72054280 
      -2541.99018201 
         -0.04116065 
       -543.14538258 
       3504.07976474 
        688.62401922 
        688.66517987 
        688.63773944 
   
  
  
       5.92    5.92
       5.92    5.92
   
        102.35487314 
        102.34234207 
        102.35069611 
   
  
  
       5.00    5.01
       5.01    5.01
   
       -146.34930612 
       -146.37254916 
       -146.35705380 
   
  
  
       4.96    4.97
       4.96    4.97
   
       -169.23188442 
       -169.24711984 
       -169.23696289 
   
  
  
       5.07    5.11
       5.83    5.87
   
       -169.72696107 
       -169.74259767 
       -169.73217327 
   
  
  
       3.07    3.10
       7.27    7.32
   
        -70.83916526 
        -70.85621073 
        -70.84484708 
   
  
  
       3.15    3.24
       6.87    6.97
   
       -120.86859422 
       -120.88544325 
       -120.87421057 
   
  
  
       2.91    2.98
       6.56    6.64
   
       -135.93979630 
       -135.95902103 
       -135.94620454 
   
  
  
       3.11    3.15
       7.04    7.08
   
       -165.00092207 
       -165.02808445 
       -165.00997620 
   
  
  
       2.92    2.99
       6.91    6.99
   
       -176.68229991 
       -176.71576944 
       -176.69345642 
   
  
  
       2.78    2.86
       6.93    7.01
   
       -183.77471623 
       -183.80518566 
       -183.78487271 
   
  
  
       2.81    2.88
       6.64    6.71
   
       -188.27538021 
       -188.30263485 
       -188.28446509 
   
  
  
       3.43    3.53
       7.40    7.51
   
       -189.31103798 
       -189.34584370 
       -189.32263989 
   
  
  
       2.61    2.69
       6.47    6.55
   
       -190.35520716 
       -190.38820968 
       -190.36620800 
   
  
  
       3.25    3.30
       6.97    7.02
   
       -190.69741059 
       -190.73293653 
       -190.70925257 
   
  
  
       3.01    3.07
       7.11    7.17
   
       -191.27266893 
       -191.30802271 
       -191.28445352 
   
  
  
       3.16    3.25
       7.02    7.13
   
       -191.66982438 
       -191.70516988 
       -191.68160621 
   
  
  
       2.73    2.80
       6.87    6.95
   
       -191.89632103 
       -191.93186376 
       -191.90816860 
   
  
  
       2.94    3.04
       6.80    6.93
   
       -192.04743203 
       -192.08299589 
       -192.05928665 
   
  
  
       2.78    2.87
       6.42    6.51
   
       -192.12015600 
       -192.15568094 
       -192.13199765 
   
  
  
       2.99    3.04
       7.26    7.33
   
       -192.13437345 
       -192.16988275 
       -192.14620988 
   
  
  
       3.28    3.31
       8.01    8.07
   
       -192.13741508 
       -192.17293476 
       -192.14925497 
   
  
  
       3.28    3.34
       8.67    8.76
   
       -192.13907160 
       -192.17460401 
       -192.15091573 
   
  
  
       2.85    2.91
       7.79    7.88
   
       -192.13945604 
       -192.17498978 
       -192.15130062 
   
  
  
       2.33    2.45
       6.81    6.95
   
       -192.13980346 
       -192.17533591 
       -192.15164761 
   
  
  
       2.09    2.14
       6.42    6.48
   
       -192.14022176 
       -192.17575460 
       -192.15206604 
   
  
  
       2.59    2.76
       7.01    7.18
   
       -192.14053046 
       -192.17606422 
       -192.15237505 
   
  
  
       2.80    2.83
       7.37    7.42
   
       -192.14065993 
       -192.17619374 
       -192.15250454 
   
  
  
       2.51    2.58
       7.16    7.26
   
       -192.14067583 
       -192.17620977 
       -192.15252048 
   
  
  
       1.90    1.93
       5.84    5.88
   
       -192.14068767 
       -192.17622238 
       -192.15253257 
   
  
  
       1.67    1.74
       4.93    5.00
   
          6.34847707 
       5621.48039522 
      -8590.51602913 
        274.94696334 
       7371.70326100 
      -7351.47787440 
          0.03553511 
      -1028.74118412 
       3504.07976474 
       -192.14069117 
       -192.17622628 
       -192.15253621 
   
  
  
   
    
           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 
    
   
   
           0.74224998       0.42782359       0.59165695 
           0.76322664       0.44465783       0.65249207 
           0.78275735       0.43199908       0.54846545 
           0.14780525       0.51824766       0.36589140 
           0.20246620       0.61285893       0.36971190 
           0.21835586       0.52441480       0.29308660 
           0.10701293       0.55169575       0.65722612 
           0.14746482       0.64025928       0.59880121 
           0.10314548       0.55569002       0.53833128 
           0.41680696       0.43345336       0.29442542 
           0.41518924       0.34308913       0.37221824 
           0.34256223       0.41206987       0.35788172 
           0.52719348       0.27567089       0.57314150 
           0.52964107       0.34911837       0.48012715 
           0.55232404       0.38976181       0.58810459 
           0.24407054       0.69196717       0.50471746 
           0.30101566       0.66836285       0.59204666 
           0.32671691       0.65751918       0.47892744 
           0.43808285       0.62076243       0.55900307 
           0.44694347       0.55766452       0.65873834 
           0.50973039       0.55308169       0.57517003 
           0.32110886       0.44737113       0.64155863 
           0.30604400       0.37938719       0.54779451 
           0.32312668       0.44661285       0.56787178 
           0.20036311       0.53987848       0.36064230 
           0.13539608       0.56843503       0.59670262 
           0.39779428       0.41191040       0.35985121 
           0.51793430       0.34420924       0.55134331 
           0.28478977       0.64712602       0.52525016 
           0.45538177       0.55677852       0.58618810 
           0.41282451       0.45897162       0.53469740 
           0.25891307       0.52682648       0.52652183 
           0.24098046       0.49354821       0.42322299 
           0.19383396       0.51448357       0.59489968 
           0.42204759       0.47233590       0.42543425 
           0.44895628       0.36428406       0.56776627 
   
  
  
         -0.09033739      -0.03851792      -0.12809027 
          0.06771781       0.03473362       0.12582457 
          0.00756192       0.00046039       0.00044877 
         -0.01598861      -0.00212051      -0.00018149 
          0.00469060       0.01341920      -0.00465241 
          0.00249239      -0.00576930      -0.02782113 
         -0.01713387       0.00182431       0.01253270 
         -0.00387220       0.00423942      -0.00162573 
         -0.00629976       0.00016983      -0.00246547 
          0.00027848       0.00205348       0.02844660 
         -0.00453176       0.02422285       0.01290211 
          0.03896611       0.00763375       0.01030703 
          0.02612925      -0.12044128       0.08642637 
          0.07964212       0.00822002      -0.22185609 
         -0.25235353      -0.21898645      -0.12111965 
         -0.01305062       0.00747158      -0.00538690 
          0.00927197       0.01055676       0.01101114 
          0.00651197       0.00514573      -0.00580582 
         -0.03585936      -0.01438980      -0.03314539 
          0.00276414      -0.00862048      -0.01438571 
         -0.00026966       0.00658300      -0.00963506 
          0.01343353       0.00054724      -0.05813544 
          0.04227815       0.05325343       0.01030498 
         -0.11484114      -0.03028256       0.06100057 
          0.02461813      -0.01383955       0.03783196 
          0.04439994      -0.01580184      -0.00686176 
         -0.07523249      -0.10030472      -0.10368215 
         -0.01903884       0.35250664       0.22574420 
          0.01131721      -0.02656909      -0.00297056 
          0.08899584       0.07996080       0.08517258 
          0.03574062      -0.19378075      -0.02128973 
         -0.08011876      -0.03471438      -0.00753518 
          0.02644916       0.00715977       0.07046557 
          0.09693133      -0.00273761      -0.04654837 
          0.05158425       0.12364038       0.05397581 
          0.04715309       0.08307402      -0.00920065 
  
  
         -2.05323360      -0.00876060      -0.02245304 
         -0.00876061      -1.92377067      -0.01757988 
         -0.02245303      -0.01757988      -1.74708327