vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 16 
  19:55:17 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       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 
    
   
   
           0.59630006       0.35295777       0.51312952 
           0.63330727       0.36085250       0.56185491 
           0.61873090       0.29865144       0.48197388 
           0.32903447       0.76315207       0.60350078 
           0.25498505       0.71450002       0.64243993 
           0.33755800       0.67289745       0.68843129 
           0.26607937       0.77822495       0.35624775 
           0.23213371       0.84885983       0.45037495 
           0.32302499       0.85487289       0.41884844 
           0.24096035       0.33793387       0.59181053 
           0.32264513       0.33244203       0.55969573 
           0.31891654       0.46088264       0.59492699 
           0.31951785       0.20060859       0.46221379 
           0.24754986       0.25086341       0.52045532 
           0.23096616       0.21015591       0.40655689 
           0.19353218       0.72131537       0.56647168 
           0.16802458       0.66109647       0.46428150 
           0.19413872       0.59995099       0.57134578 
           0.15981950       0.46585291       0.47221312 
           0.18258424       0.41472773       0.35861225 
           0.17081063       0.34674870       0.46986084 
           0.25841691       0.54201292       0.38085063 
           0.32408482       0.52741894       0.47619763 
           0.26880811       0.52979347       0.47675227 
           0.30883388       0.70039286       0.63151641 
           0.27576368       0.81576320       0.41830776 
           0.30347124       0.40195580       0.55484120 
           0.27191764       0.23708055       0.44868785 
           0.17934921       0.65976624       0.53424512 
           0.17604077       0.40873729       0.43247649 
           0.26321385       0.40770250       0.45064925 
           0.27948804       0.64524937       0.46274291 
           0.31747787       0.63219529       0.56518214 
           0.29836971       0.75089377       0.47718932 
           0.22955303       0.40471922       0.60456263 
           0.29516109       0.31396558       0.39679226 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
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          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
  
 
 
  
          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
       81
       -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  
   
   
       200
        -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
  
  
        3
        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
      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  
  
 
 
        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 
   
  
  
          0.59630006       0.35295777       0.51312952 
          0.63330727       0.36085250       0.56185491 
          0.61873090       0.29865144       0.48197388 
          0.32903447       0.76315207       0.60350078 
          0.25498505       0.71450002       0.64243993 
          0.33755800       0.67289745       0.68843129 
          0.26607937       0.77822495       0.35624775 
          0.23213371       0.84885983       0.45037495 
          0.32302499       0.85487289       0.41884844 
          0.24096035       0.33793387       0.59181053 
          0.32264513       0.33244203       0.55969573 
          0.31891654       0.46088264       0.59492699 
          0.31951785       0.20060859       0.46221379 
          0.24754986       0.25086341       0.52045532 
          0.23096616       0.21015591       0.40655689 
          0.19353218       0.72131537       0.56647168 
          0.16802458       0.66109647       0.46428150 
          0.19413872       0.59995099       0.57134578 
          0.15981950       0.46585291       0.47221312 
          0.18258424       0.41472773       0.35861225 
          0.17081063       0.34674870       0.46986084 
          0.25841691       0.54201292       0.38085063 
          0.32408482       0.52741894       0.47619763 
          0.26880811       0.52979347       0.47675227 
          0.30883388       0.70039286       0.63151641 
          0.27576368       0.81576320       0.41830776 
          0.30347124       0.40195580       0.55484120 
          0.27191764       0.23708055       0.44868785 
          0.17934921       0.65976624       0.53424512 
          0.17604077       0.40873729       0.43247649 
          0.26321385       0.40770250       0.45064925 
          0.27948804       0.64524937       0.46274291 
          0.31747787       0.63219529       0.56518214 
          0.29836971       0.75089377       0.47718932 
          0.22955303       0.40471922       0.60456263 
          0.29516109       0.31396558       0.39679226 
  
 
 
  
      34.69   34.75
      41.69   41.74
   
          6.34847707 
       6281.57482533 
      -8852.51009278 
        265.38274538 
       2564.72054280 
      -2541.99018201 
         -0.00248377 
       -569.07384825 
       3504.07976474 
        658.52974851 
        658.53223228 
        658.53057644 
   
  
  
      47.76   47.86
      47.76   47.86
   
        100.08802350 
        100.08285225 
        100.08629975 
   
  
  
      42.91   43.08
      42.92   43.09
   
       -134.66459062 
       -134.65611813 
       -134.66176646 
   
  
  
      40.76   40.97
      40.77   40.98
   
       -155.12456977 
       -155.08348435 
       -155.11087463 
   
  
  
      43.04   43.24
      43.97   44.18
   
       -155.52043881 
       -155.47843252 
       -155.50643672 
   
  
  
      34.22   34.39
      44.12   44.28
   
        -61.47289067 
        -61.41653292 
        -61.45410476 
   
  
  
      37.74   38.02
      45.67   45.94
   
       -103.89949778 
       -103.92360414 
       -103.90753323 
   
  
  
      37.55   37.72
      44.69   44.86
   
       -118.55160187 
       -118.55044473 
       -118.55121616 
   
  
  
      36.35   36.53
      42.47   42.65
   
       -130.36175974 
       -130.37659737 
       -130.36670561 
   
  
  
      36.14   36.31
      43.49   43.65
   
       -150.28279496 
       -150.29748165 
       -150.28769053 
   
  
  
      36.86   37.07
      45.91   46.11
   
       -158.46393830 
       -158.46866416 
       -158.46551359 
   
  
  
      38.05   38.23
      49.25   49.42
   
       -162.13079334 
       -162.14992946 
       -162.13717205 
   
  
  
      34.61   34.80
      45.69   45.86
   
       -170.15474187 
       -170.16174639 
       -170.15707671 
   
  
  
      41.57   41.75
      51.76   51.94
   
       -170.93040907 
       -170.94987412 
       -170.93689742 
   
  
  
      36.24   36.39
      46.81   46.94
   
       -171.79687624 
       -171.80486838 
       -171.79954029 
   
  
  
      36.41   36.58
      46.20   46.36
   
       -173.38548775 
       -173.39400009 
       -173.38832520 
   
  
  
      36.97   37.16
      47.57   47.75
   
       -174.51499138 
       -174.52416796 
       -174.51805024 
   
  
  
      37.01   37.19
      46.80   46.97
   
       -175.29864471 
       -175.30787946 
       -175.30172296 
   
  
  
      35.47   35.71
      44.70   44.93
   
       -175.99183028 
       -175.99937461 
       -175.99434506