vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2026 02 01 
  23:31:54 
 
 
  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 
    
   
   
           0.05840145       0.10814435       0.17604584 
           0.37230135       0.17484936       0.17274972 
           0.85702591       0.48150442       0.30759674 
           0.01128095       0.19941987       0.49229320 
           0.70047306       0.38722006       0.43864645 
           0.21444534       0.43060046       0.86908391 
           0.61835384       0.88520272       0.14834953 
           0.04206660       0.90476260       0.81432064 
           0.82710452       0.49329054       0.65274226 
           0.98149108       0.97491087       0.15684872 
           0.46517482       0.80847394       0.30948165 
           0.30052243       0.51974323       0.51492893 
           0.31868402       0.85368694       0.65352396 
           0.29596943       0.85762684       0.98790609 
           0.68176803       0.84957206       0.14653831 
           0.40951473       0.76168096       0.33124096 
           0.80423303       0.77261915       0.33035279 
           0.21128071       0.23905644       0.63284193 
           0.95729109       0.55033108       0.30765119 
           0.40914752       0.84005801       0.16070300 
           0.82414009       0.57833915       0.77046880 
           0.82426643       0.46560622       0.68340216 
           0.31495559       0.87061176       0.55996559 
   
  
  
           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
      0.00000000     -0.00300000      0.74600000
         -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 
   
  
  
          0.05840145       0.10814435       0.17604584 
          0.37230135       0.17484936       0.17274972 
          0.85702591       0.48150442       0.30759674 
          0.01128095       0.19941987       0.49229320 
          0.70047306       0.38722006       0.43864645 
          0.21444534       0.43060046       0.86908391 
          0.61835384       0.88520272       0.14834953 
          0.04206660       0.90476260       0.81432064 
          0.82710452       0.49329054       0.65274226 
          0.98149108       0.97491087       0.15684872 
          0.46517482       0.80847394       0.30948165 
          0.30052243       0.51974323       0.51492893 
          0.31868402       0.85368694       0.65352396 
          0.29596943       0.85762684       0.98790609 
          0.68176803       0.84957206       0.14653831 
          0.40951473       0.76168096       0.33124096 
          0.80423303       0.77261915       0.33035279 
          0.21128071       0.23905644       0.63284193 
          0.95729109       0.55033108       0.30765119 
          0.40914752       0.84005801       0.16070300 
          0.82414009       0.57833915       0.77046880 
          0.82426643       0.46560622       0.68340216 
          0.31495559       0.87061176       0.55996559 
  
 
 
  
       9.84    9.87
      10.09   10.12
   
          8.19223027 
       -446.08838101 
       -899.21028386 
         99.22569026 
       1193.74450417 
      -1163.95454741 
          0.00523972 
       -243.09748946 
       1678.55807637 
        227.37503906 
        227.36979934 
        227.37329248 
   
  
  
      12.88   12.89
      12.88   12.89
   
          3.23873603 
          3.24835588 
          3.24194264 
   
  
  
      11.68   11.68
      11.68   11.69
   
        -55.09362136 
        -55.02913698 
        -55.07212657 
   
  
  
      11.46   11.49
      11.47   11.49
   
        -58.57761214 
        -58.52196663 
        -58.55906364 
   
  
  
      13.03   13.04
      13.09   13.09
   
        -58.76333154 
        -58.70963424 
        -58.74543244 
   
  
  
      11.97   11.97
      12.28   12.29
   
       -105.99438914 
       -105.99790262 
       -105.99556030 
   
  
  
      10.15   10.16
      10.45   10.46
   
        -47.11672060 
        -47.07440756 
        -47.10261625 
   
  
  
      12.02   12.04
      12.31   12.33
   
        -45.49681651 
        -45.50230351 
        -45.49864551 
   
  
  
      11.71   11.73
      12.05   12.06
   
        -43.30053418 
        -43.32648758 
        -43.30918532 
   
  
  
      11.64   11.65
      11.95   11.96
   
        -41.22266100 
        -41.12998952 
        -41.19177050 
   
  
  
      13.03   13.04
      13.34   13.35
   
        -41.61518273 
        -41.53010867 
        -41.58682471 
   
  
  
      10.90   10.91
      11.21   11.22
   
        -41.27694514 
        -41.22609632 
        -41.25999553 
   
  
  
      11.00   11.01
      11.30   11.31
   
        -41.63501908 
        -41.62381560 
        -41.63128459 
   
  
  
      10.44   10.46
      10.75   10.76
   
        -41.50421599 
        -41.46490941 
        -41.49111380 
   
  
  
      12.27   12.29
      12.59   12.61
   
        -41.54095141 
        -41.53249690 
        -41.53813324 
   
  
  
      10.68   10.69
      11.00   11.02
   
        -42.07448938 
        -42.12145166 
        -42.09014347 
   
  
  
      10.64   10.65
      10.94   10.95
   
        -42.23410914 
        -42.27973554 
        -42.24931794 
   
  
  
      11.97   11.98
      12.29   12.29
   
        -42.38173597 
        -42.43770862 
        -42.40039352 
   
  
  
      11.34   11.35
      11.64   11.66
   
        -41.07726072 
        -41.13822716 
        -41.09758287 
   
  
  
      11.87   11.87
      12.17   12.17
   
      -9437.78794533 
      -9437.75385253 
      -9437.77658106 
   
  
  
      11.13   11.15
      11.45   11.46
   
     -15727.92030558 
     -15727.92067849 
     -15727.92042988 
   
  
  
      10.86   10.87
      11.18   11.19
   
         60.38379172 
         60.39533169 
         60.38763838 
   
  
  
      10.97   10.99
      11.29   11.31
   
         37.31828863 
         37.30173116 
         37.31276947 
   
  
  
      12.36   12.37
      12.67   12.68
   
         -6.41781371 
         -6.43173538 
         -6.42245426 
   
  
  
      10.45   10.46
      10.75   10.76
   
        -16.06675402 
        -16.04216174 
        -16.05855659 
   
  
  
      10.56   10.58
      10.88   10.90
   
        -17.23909778 
        -17.28773119 
        -17.25530892 
   
  
  
      11.28   11.30
      11.60   11.62
   
        -16.16352459 
        -16.15917438 
        -16.16207452 
   
  
  
      10.81   10.82
      11.12   11.12
   
        -13.95761877 
        -13.96568993 
        -13.96030916 
   
  
  
      10.58   10.59
      10.91   10.92
   
        -14.97218182 
        -14.97494152 
        -14.97310172 
   
  
  
      11.10   11.11
      11.42   11.43
   
        -19.19442095 
        -19.19036886 
        -19.19307026 
   
  
  
      11.46   11.47
      11.77   11.78
   
        -21.78925017 
        -21.83823935 
        -21.80557989 
   
  
  
      11.21   11.22
      11.54   11.55
   
        -21.85576343 
        -21.90146368 
        -21.87099685 
   
  
  
       9.69    9.71
      10.02   10.04
   
        -18.01842378 
        -18.07052812 
        -18.03579189 
   
  
  
      11.20   11.21
      11.52   11.52
   
        -16.61209845 
        -16.66734143 
        -16.63051278 
   
  
  
      11.02   11.03
      11.34   11.35
   
        -15.87383495 
        -15.92429074 
        -15.89065355 
   
  
  
      10.20   10.21
      10.53   10.53
   
        -13.84253263 
        -13.83030029 
        -13.83845518 
   
  
  
      10.08   10.09
      10.40   10.41
   
        -14.63204277 
        -14.61793015 
        -14.62733856 
   
  
  
       9.88    9.88
      10.20   10.21
   
        -14.32304789 
        -14.31095451 
        -14.31901677 
   
  
  
       9.90    9.91
      10.22   10.23
   
        -15.60606212 
        -15.58881245 
        -15.60031223 
   
  
  
      10.56   10.57
      10.90   10.91
   
        -15.52989001 
        -15.51345242 
        -15.52441081 
   
  
  
       9.30    9.31
       9.62    9.63
   
        -15.48416419 
        -15.46468022 
        -15.47766953 
   
  
  
       9.43    9.44
       9.76    9.77
   
        -13.70673176 
        -13.67659617 
        -13.69668656 
   
  
  
      10.72   10.73
      11.04   11.05
   
        -10.94490678 
        -10.91309042 
        -10.93430132 
   
  
  
      11.90   11.91
      12.22   12.24
   
        -11.20199192 
        -11.17027738 
        -11.19142040 
   
  
  
       9.98    9.99
      10.32   10.33
   
        -12.28881547 
        -12.26034403 
        -12.27932499 
   
  
  
      11.19   11.20
      11.54   11.55
   
        -12.25334617 
        -12.22457123 
        -12.24375452 
   
  
  
       9.74    9.75
      10.07   10.09
   
        -12.28976377 
        -12.26053059 
        -12.28001937 
   
  
  
       9.40    9.41
       9.73    9.74
   
        -12.75605968 
        -12.72746983 
        -12.74652973 
   
  
  
      10.32   10.33
      10.66   10.67
   
        -12.53374138 
        -12.50984348 
        -12.52577542 
   
  
  
       9.80    9.80
      10.14   10.14
   
        -12.43421267 
        -12.42779398 
        -12.43207311 
   
  
  
       9.77    9.78
      10.10   10.11
   
        -13.83901574 
        -13.82439809 
        -13.83414319 
   
  
  
      10.67   10.68
      11.00   11.02
   
        -12.71400331 
        -12.70128142 
        -12.70976268 
   
  
  
      11.51   11.52
      11.86   11.87
   
        -12.34518808 
        -12.32451840 
        -12.33829819