vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 16 
  19:55:18 
 
 
  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 
    
   
   
           0.50674149       0.34035407       0.52808002 
           0.54096902       0.37080748       0.57098895 
           0.52478218       0.31453972       0.48163937 
           0.35133394       0.76779783       0.48960640 
           0.33050854       0.70406747       0.58155845 
           0.40904919       0.67215015       0.53372874 
           0.20199801       0.85494821       0.40040192 
           0.24913670       0.85751189       0.51497451 
           0.29369513       0.83233213       0.41150641 
           0.38375450       0.33288968       0.51090800 
           0.33587368       0.34100445       0.39970374 
           0.35966517       0.44693409       0.46772983 
           0.27089286       0.19539866       0.40479515 
           0.28920049       0.23818923       0.52223500 
           0.19965858       0.21974491       0.48931844 
           0.25352062       0.72595383       0.61024477 
           0.18526619       0.64622921       0.59632219 
           0.27527427       0.60721519       0.61116823 
           0.18059044       0.45908780       0.58946583 
           0.14449054       0.40054361       0.48994306 
           0.19602393       0.34004663       0.58431948 
           0.18603680       0.54413516       0.43979732 
           0.27736171       0.52147561       0.42625775 
           0.23437822       0.52482778       0.47022525 
           0.36148299       0.70141327       0.51970159 
           0.24235171       0.83134135       0.44527838 
           0.36306443       0.37600248       0.45694027 
           0.25135488       0.23385342       0.46395912 
           0.23730110       0.65807820       0.61572106 
           0.16392071       0.39564380       0.55833038 
           0.24374246       0.40488612       0.50145967 
           0.25069355       0.64321045       0.48654282 
           0.32863467       0.64652505       0.45333397 
           0.21798139       0.74090655       0.45336233 
           0.30931856       0.41274128       0.56377804 
           0.24052073       0.32240777       0.42291329 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
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          19 
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          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 
   
  
  
          0.50674149       0.34035407       0.52808002 
          0.54096902       0.37080748       0.57098895 
          0.52478218       0.31453972       0.48163937 
          0.35133394       0.76779783       0.48960640 
          0.33050854       0.70406747       0.58155845 
          0.40904919       0.67215015       0.53372874 
          0.20199801       0.85494821       0.40040192 
          0.24913670       0.85751189       0.51497451 
          0.29369513       0.83233213       0.41150641 
          0.38375450       0.33288968       0.51090800 
          0.33587368       0.34100445       0.39970374 
          0.35966517       0.44693409       0.46772983 
          0.27089286       0.19539866       0.40479515 
          0.28920049       0.23818923       0.52223500 
          0.19965858       0.21974491       0.48931844 
          0.25352062       0.72595383       0.61024477 
          0.18526619       0.64622921       0.59632219 
          0.27527427       0.60721519       0.61116823 
          0.18059044       0.45908780       0.58946583 
          0.14449054       0.40054361       0.48994306 
          0.19602393       0.34004663       0.58431948 
          0.18603680       0.54413516       0.43979732 
          0.27736171       0.52147561       0.42625775 
          0.23437822       0.52482778       0.47022525 
          0.36148299       0.70141327       0.51970159 
          0.24235171       0.83134135       0.44527838 
          0.36306443       0.37600248       0.45694027 
          0.25135488       0.23385342       0.46395912 
          0.23730110       0.65807820       0.61572106 
          0.16392071       0.39564380       0.55833038 
          0.24374246       0.40488612       0.50145967 
          0.25069355       0.64321045       0.48654282 
          0.32863467       0.64652505       0.45333397 
          0.21798139       0.74090655       0.45336233 
          0.30931856       0.41274128       0.56377804 
          0.24052073       0.32240777       0.42291329 
  
 
 
  
      37.40   37.48
      47.95   48.01
   
          6.34847707 
       6460.02464197 
      -9018.35519730 
        265.45460415 
       2564.72054280 
      -2541.99018201 
          0.00551531 
       -569.89274284 
       3504.07976474 
        670.39542389 
        670.38990858 
        670.39358545 
   
  
  
      48.95   49.10
      48.95   49.11
   
         99.51373338 
         99.53156319 
         99.51967665 
   
  
  
      43.47   43.63
      43.47   43.63
   
       -137.65935780 
       -137.65941645 
       -137.65937735 
   
  
  
      40.86   41.02
      40.87   41.02
   
       -157.48294304 
       -157.43579948 
       -157.46722852 
   
  
  
      41.02   41.24
      42.47   42.69
   
       -157.87755932 
       -157.83102443 
       -157.86204769 
   
  
  
      35.77   36.00
      47.26   47.47
   
        -63.29413324 
        -63.31861624 
        -63.30229424 
   
  
  
      40.07   40.26
      51.60   51.78
   
       -108.18251949 
       -108.18891134 
       -108.18465011 
   
  
  
      38.89   39.08
      50.07   50.25
   
       -123.59122422 
       -123.59761907 
       -123.59335583 
   
  
  
      37.81   38.01
      47.74   47.92
   
       -149.84336665 
       -149.85002969 
       -149.84558766 
   
  
  
      36.01   36.17
      42.22   42.38
   
       -163.09067678 
       -163.10119167 
       -163.09418174 
   
  
  
      34.81   35.02
      40.56   40.77
   
       -170.33484742 
       -170.36375563 
       -170.34448349 
   
  
  
      33.28   33.44
      40.27   40.42
   
       -175.98365903 
       -175.96514919 
       -175.97748909 
   
  
  
      38.61   38.83
      45.62   45.84
   
       -176.75121776 
       -176.74038450 
       -176.74760667 
   
  
  
      36.93   37.14
      44.51   44.71
   
       -177.98817220 
       -178.02145984 
       -177.99926808 
   
  
  
      36.83   37.06
      45.76   45.98
   
       -178.61678436 
       -178.65450099 
       -178.62935657 
   
  
  
      37.39   37.56
      46.24   46.40
   
       -179.24105480 
       -179.26250034 
       -179.24820332 
   
  
  
      39.12   39.38
      48.05   48.29
   
       -179.70255072 
       -179.71889224 
       -179.70799790 
   
  
  
      36.97   37.16
      46.80   46.98
   
       -179.98586626 
       -180.00892975 
       -179.99355409 
   
  
  
      38.38   38.59
      49.00   49.20
   
       -180.20223339 
       -180.22327161 
       -180.20924613