vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2026 01 31 
  18:27:24 
 
 
  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 
    
   
   
           0.42462968       0.52212329       0.59005693 
           0.22679389       0.55000486       0.43514375 
           0.53198702       0.66400281       0.53200959 
           0.33356784       0.36672055       0.66784263 
           0.27348840       0.47112676       0.45931322 
           0.62199223       0.71884973       0.69268636 
           0.69424717       0.61218380       0.44446119 
           0.42160827       0.39941142       0.76319564 
           0.53523320       0.80706947       0.44592304 
           0.25464388       0.27133424       0.68201102 
           0.39124571       0.22738973       0.73640811 
           0.34036928       0.30100750       0.57767685 
           0.18190708       0.43757653       0.40234279 
           0.27606732       0.40922986       0.34016266 
           0.24359944       0.53178635       0.39220474 
           0.55059774       0.75035218       0.75418289 
           0.68575542       0.80892499       0.70785643 
           0.65614754       0.64010102       0.76655997 
           0.67603965       0.57379519       0.34033728 
           0.74338635       0.51321019       0.48094828 
           0.77631130       0.68749850       0.41509413 
           0.15281771       0.59463561       0.62932744 
           0.24557156       0.78227693       0.59786202 
   
  
  
           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 
   
  
  
          0.42462968       0.52212329       0.59005693 
          0.22679389       0.55000486       0.43514375 
          0.53198702       0.66400281       0.53200959 
          0.33356784       0.36672055       0.66784263 
          0.27348840       0.47112676       0.45931322 
          0.62199223       0.71884973       0.69268636 
          0.69424717       0.61218380       0.44446119 
          0.42160827       0.39941142       0.76319564 
          0.53523320       0.80706947       0.44592304 
          0.25464388       0.27133424       0.68201102 
          0.39124571       0.22738973       0.73640811 
          0.34036928       0.30100750       0.57767685 
          0.18190708       0.43757653       0.40234279 
          0.27606732       0.40922986       0.34016266 
          0.24359944       0.53178635       0.39220474 
          0.55059774       0.75035218       0.75418289 
          0.68575542       0.80892499       0.70785643 
          0.65614754       0.64010102       0.76655997 
          0.67603965       0.57379519       0.34033728 
          0.74338635       0.51321019       0.48094828 
          0.77631130       0.68749850       0.41509413 
          0.15281771       0.59463561       0.62932744 
          0.24557156       0.78227693       0.59786202 
  
 
 
  
       8.85    8.90
       9.60    9.64
   
          8.19223027 
       1099.18557214 
      -2233.98393451 
        112.07768959 
       1193.66451248 
      -1163.87096665 
         -0.00127423 
       -304.14792811 
       1678.55807637 
        389.67397734 
        389.67525157 
        389.67440208 
   
  
  
      11.87   11.91
      11.87   11.92
   
         59.82050599 
         59.83040672 
         59.82380623 
   
  
  
      11.23   11.29
      11.24   11.29
   
        -28.10852624 
        -28.08945294 
        -28.10216847 
   
  
  
      10.65   10.69
      10.65   10.69
   
        -33.96827886 
        -33.91530344 
        -33.95062039 
   
  
  
      10.59   10.64
      10.72   10.77
   
        -34.13529223 
        -34.08556106 
        -34.11871517 
   
  
  
      10.07   10.12
      10.96   11.01
   
        -28.04146265 
        -28.03531001 
        -28.03941177 
   
  
  
       9.20    9.26
       9.87    9.93
   
        -21.15031016 
        -21.18804571 
        -21.16288867 
   
  
  
       9.76    9.82
      10.31   10.37
   
         -4.48646291 
         -4.50067721 
         -4.49120101 
   
  
  
       9.69    9.75
      10.34   10.39
   
         -4.67881426 
         -4.66756035 
         -4.67506296 
   
  
  
      10.77   10.82
      11.33   11.39
   
         -4.78793612 
         -4.75017629 
         -4.77534951 
   
  
  
       9.92    9.97
      10.54   10.59
   
         -4.82239460 
         -4.78757914 
         -4.81078945 
   
  
  
       8.85    8.90
       9.41    9.46
   
         -4.78631865 
         -4.81563535 
         -4.79609088 
   
  
  
       9.58    9.63
      10.11   10.15
   
         -5.11099426 
         -5.06007333 
         -5.09402062 
   
  
  
       8.50    8.55
       9.01    9.07
   
         -5.34940823 
         -5.36102401 
         -5.35328015 
   
  
  
       8.12    8.18
       8.66    8.72
   
         10.89558806 
         10.88977488 
         10.89365033 
   
  
  
       7.83    7.88
       8.34    8.39
   
         89.99923899 
         89.97722580 
         89.99190126 
   
  
  
       8.70    8.74
       9.22    9.25
   
         89.70971727 
         89.70011054 
         89.70651503 
   
  
  
       8.16    8.21
       8.68    8.73
   
         76.51426670 
         76.49386627 
         76.50746655 
   
  
  
       7.86    7.91
       8.38    8.43
   
         38.59160683 
         38.59091158 
         38.59137508 
   
  
  
       7.82    7.87
       8.33    8.38
   
         67.94374825 
         67.97644407 
         67.95464686 
   
  
  
       8.52    8.56
       9.09    9.13
   
         17.84484112 
         17.82732206 
         17.83900144 
   
  
  
       9.11    9.15
       9.64    9.69
   
         21.48659182 
         21.48077443 
         21.48465269 
   
  
  
       8.50    8.54
       9.02    9.06
   
         37.01973129 
         37.01381455 
         37.01775904 
   
  
  
       9.37    9.41
       9.90    9.94
   
         42.17127233 
         42.16527568 
         42.16927345 
   
  
  
       9.34    9.39
       9.87    9.91
   
         43.52901196 
         43.52176257 
         43.52659550 
   
  
  
       9.59    9.64
      10.12   10.17
   
         36.09611009 
         36.09011931 
         36.09411316 
   
  
  
       8.83    8.88
       9.40    9.45
   
         19.13442707 
         19.12837482 
         19.13240965 
   
  
  
       9.63    9.67
      10.17   10.22
   
         16.74277320 
         16.73633336 
         16.74062659 
   
  
  
       8.52    8.56
       9.06    9.10
   
         15.19975718 
         15.19310659 
         15.19754032 
   
  
  
       9.18    9.23
       9.73    9.77
   
         13.90331022 
         13.89614234 
         13.90092093 
   
  
  
       8.38    8.42
       8.92    8.97
   
         15.09460117 
         15.08412985 
         15.09111073 
   
  
  
       7.58    7.63
       8.17    8.22
   
         11.03742451 
         11.01503122 
         11.02996008 
   
  
  
       8.10    8.14
       8.64    8.68
   
          9.44975423 
          9.42595446 
          9.44182098 
   
  
  
       7.47    7.53
       8.07    8.13
   
          9.22881710 
          9.20732674 
          9.22165365 
   
  
  
       7.92    7.96
       8.55    8.59
   
          8.60518723 
          8.58445721 
          8.59827723 
   
  
  
       7.02    7.06
       7.56    7.61
   
          8.55792407 
          8.53732102 
          8.55105639 
   
  
  
       6.62    6.67
       7.16    7.22
   
          8.60583500 
          8.58541769 
          8.59902923 
   
  
  
       6.56    6.62
       7.09    7.15
   
          7.68742976 
          7.66685533 
          7.68057162 
   
  
  
       7.63    7.69
       8.22    8.28
   
          7.25863460 
          7.23792579 
          7.25173166 
   
  
  
       6.95    7.00
       7.49    7.54
   
          7.65962336 
          7.63942137 
          7.65288936 
   
  
  
       7.13    7.17
       7.68    7.73
   
          7.97562916 
          7.95547331 
          7.96891055 
   
  
  
       5.62    5.66
       6.16    6.21
   
          8.48015263 
          8.46011499 
          8.47347341 
   
  
  
       6.25    6.31
       6.79    6.84
   
          7.98899423 
          7.96892380 
          7.98230408 
   
  
  
       6.06    6.09
       6.59    6.62
   
          7.70565223 
          7.68603082 
          7.69911176 
   
  
  
       5.87    5.91
       6.41    6.45
   
          7.59432695 
          7.57445959 
          7.58770449 
   
  
  
       5.70    5.74
       6.24    6.28
   
          5.25271454 
          5.22985339 
          5.24509416 
   
  
  
       6.52    6.55
       7.14    7.18
   
          4.70771476 
          4.68439913 
          4.69994288 
   
  
  
       6.48    6.53
       7.06    7.12
   
          4.50665685 
          4.48306686 
          4.49879352 
   
  
  
       6.59    6.64
       7.13    7.19
   
          4.54057802 
          4.51699935 
          4.53271847 
   
  
  
       5.67    5.73
       6.22    6.28
   
          4.52501968 
          4.50159237 
          4.51721058 
   
  
  
       6.18    6.24
       6.74    6.80
   
         29.97655879 
         29.97074442 
         29.97462067 
   
  
  
       6.43    6.48
       7.06    7.12
   
         26.63463659 
         26.62881966 
         26.63269761 
   
  
  
       5.65    5.70
       6.23    6.27
   
         26.42521820 
         26.41940391 
         26.42328010 
   
  
  
       4.92    4.97
       5.51    5.55
   
         24.27178797 
         24.26594237 
         24.26983944 
   
  
  
       5.18    5.22
       5.75    5.79
   
         23.16567744 
         23.15970400 
         23.16368629 
   
  
  
       4.82    4.86
       5.37    5.41
   
         15.87342007 
         15.86045632 
         15.86909882 
   
  
  
       5.03    5.07
       5.58    5.61
   
         15.62987638 
         15.61694474 
         15.62556584 
   
  
  
       5.54    5.59
       6.08    6.13
   
         16.40582534 
         16.39292877 
         16.40152648 
   
  
  
       4.56    4.61
       5.11    5.16
   
         15.86067449 
         15.84797162 
         15.85644020 
   
  
  
       4.95    4.98
       5.50    5.54
   
         15.50733757 
         15.49505437 
         15.50324317