vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 17 
  11:12:47 
 
 
  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 
    
   
   
           0.81210313       0.39108468       0.58975929 
           0.82867171       0.42109407       0.64785980 
           0.85135951       0.40207189       0.54622885 
           0.14257611       0.52007483       0.36364731 
           0.19459644       0.61697767       0.37245153 
           0.21404243       0.53222589       0.29313650 
           0.10105674       0.55652417       0.65690467 
           0.14294847       0.64479127       0.59985451 
           0.09740506       0.56242803       0.53807286 
           0.41205730       0.43838490       0.29378159 
           0.40934663       0.34744579       0.37091555 
           0.33706681       0.41682547       0.35566211 
           0.51637787       0.27321001       0.57323739 
           0.52427025       0.35040624       0.48253602 
           0.54257220       0.38534535       0.59414438 
           0.23905716       0.69570356       0.50508203 
           0.29480250       0.67117514       0.59354025 
           0.32178691       0.66051746       0.48091335 
           0.43295397       0.62056640       0.55869116 
           0.44115928       0.55824937       0.65927682 
           0.50438937       0.55254571       0.57600903 
           0.31500433       0.45119346       0.64135051 
           0.29917156       0.38245180       0.54846563 
           0.31637581       0.44965066       0.56779078 
           0.19460498       0.54431433       0.36071280 
           0.12981948       0.57334373       0.59668584 
           0.39219632       0.41628023       0.35849280 
           0.50867964       0.34292190       0.55266338 
           0.27925757       0.65027549       0.52630109 
           0.45007331       0.55689808       0.58689504 
           0.40631467       0.46035309       0.53417089 
           0.25273065       0.53025508       0.52637047 
           0.23534934       0.49759616       0.42289716 
           0.18744898       0.51787884       0.59406638 
           0.41602316       0.47634776       0.42527849 
           0.44060638       0.36491841       0.56606337 
   
  
  
           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 
   
  
  
          0.81210313       0.39108468       0.58975929 
          0.82867171       0.42109407       0.64785980 
          0.85135951       0.40207189       0.54622885 
          0.14257611       0.52007483       0.36364731 
          0.19459644       0.61697767       0.37245153 
          0.21404243       0.53222589       0.29313650 
          0.10105674       0.55652417       0.65690467 
          0.14294847       0.64479127       0.59985451 
          0.09740506       0.56242803       0.53807286 
          0.41205730       0.43838490       0.29378159 
          0.40934663       0.34744579       0.37091555 
          0.33706681       0.41682547       0.35566211 
          0.51637787       0.27321001       0.57323739 
          0.52427025       0.35040624       0.48253602 
          0.54257220       0.38534535       0.59414438 
          0.23905716       0.69570356       0.50508203 
          0.29480250       0.67117514       0.59354025 
          0.32178691       0.66051746       0.48091335 
          0.43295397       0.62056640       0.55869116 
          0.44115928       0.55824937       0.65927682 
          0.50438937       0.55254571       0.57600903 
          0.31500433       0.45119346       0.64135051 
          0.29917156       0.38245180       0.54846563 
          0.31637581       0.44965066       0.56779078 
          0.19460498       0.54431433       0.36071280 
          0.12981948       0.57334373       0.59668584 
          0.39219632       0.41628023       0.35849280 
          0.50867964       0.34292190       0.55266338 
          0.27925757       0.65027549       0.52630109 
          0.45007331       0.55689808       0.58689504 
          0.40631467       0.46035309       0.53417089 
          0.25273065       0.53025508       0.52637047 
          0.23534934       0.49759616       0.42289716 
          0.18744898       0.51787884       0.59406638 
          0.41602316       0.47634776       0.42527849 
          0.44060638       0.36491841       0.56606337 
  
 
 
  
       2.95    3.18
       5.85    6.08
   
          6.34847707 
       5563.78049948 
      -8128.13327426 
        264.08260407 
       2564.72054280 
      -2541.99018201 
         -0.00209303 
       -611.04773734 
       3504.07976474 
        621.83860152 
        621.84069455 
        621.83929920 
   
  
  
       5.05    5.12
       5.05    5.12
   
         80.90920297 
         80.89395336 
         80.90411977 
   
  
  
       4.78    4.78
       4.78    4.78
   
       -147.72587413 
       -147.72343163 
       -147.72505996 
   
  
  
       4.87    4.87
       4.87    4.88
   
       -169.28170761 
       -169.29847875 
       -169.28729799 
   
  
  
       5.34    5.35
       5.69    5.70
   
       -169.74885077 
       -169.76609299 
       -169.75459818 
   
  
  
       4.14    4.17
       6.93    6.96
   
        -71.32154003 
        -71.33880114 
        -71.32729374 
   
  
  
       3.74    3.77
       8.07    8.11
   
       -121.51240663 
       -121.52946091 
       -121.51809139 
   
  
  
       2.86    2.93
       6.62    6.70
   
       -136.43816859 
       -136.45727844 
       -136.44453854 
   
  
  
       2.82    2.90
       6.31    6.40
   
       -165.06438315 
       -165.09064455 
       -165.07313695 
   
  
  
       3.23    3.29
       7.13    7.21
   
       -176.66936941 
       -176.70265161 
       -176.68046348 
   
  
  
       3.10    3.15
       7.32    7.39
   
       -183.51621481 
       -183.54606949 
       -183.52616637 
   
  
  
       2.93    2.99
       6.77    6.85
   
       -188.21098069 
       -188.24002167 
       -188.22066101 
   
  
  
       2.99    3.11
       6.71    6.84
   
       -189.31402528 
       -189.34914888 
       -189.32573315 
   
  
  
       2.82    2.91
       6.30    6.40
   
       -190.35438644 
       -190.38750536 
       -190.36542608 
   
  
  
       3.16    3.25
       7.29    7.38
   
       -190.74517091 
       -190.78068491 
       -190.75700891 
   
  
  
       3.14    3.38
       7.28    7.54
   
       -191.34174376 
       -191.37744791 
       -191.35364515 
   
  
  
       2.67    2.74
       6.45    6.53
   
       -191.71308620 
       -191.74884913 
       -191.72500718 
   
  
  
       3.41    3.49
       8.06    8.15
   
       -191.91614259 
       -191.95201270 
       -191.92809930 
   
  
  
       3.11    3.19
       7.98    8.09
   
       -192.05577217 
       -192.09164951 
       -192.06773128 
   
  
  
       2.75    2.83
       7.40    7.49
   
       -192.11638603 
       -192.15225641 
       -192.12834282 
   
  
  
       2.83    2.91
       7.03    7.12
   
       -192.12747892 
       -192.16335787 
       -192.13943857 
   
  
  
       3.09    3.16
       7.59    7.66
   
       -192.13026853 
       -192.16616464 
       -192.14223390 
   
  
  
       3.34    3.41
       7.72    7.80
   
       -192.13134562 
       -192.16724798 
       -192.14331307 
   
  
  
       2.36    2.41
       6.69    6.79
   
       -192.13157848 
       -192.16747983 
       -192.14354560 
   
  
  
       2.35    2.43
       6.36    6.45
   
       -192.13196322 
       -192.16786590 
       -192.14393078 
   
  
  
       2.47    2.55
       6.99    7.08
   
       -192.13225602 
       -192.16816072 
       -192.14422426 
   
  
  
       2.54    2.63
       7.12    7.22
   
       -192.13244451 
       -192.16835035 
       -192.14441312 
   
  
  
       2.48    2.53
       7.30    7.36
   
       -192.13244169 
       -192.16834866 
       -192.14441068 
   
  
  
       2.73    2.81
       7.11    7.19
   
       -192.13260236 
       -192.16850946 
       -192.14457140 
   
  
  
       2.51    2.63
       6.63    6.76
   
       -192.13260135 
       -192.16850845 
       -192.14457038 
   
  
  
       2.84    2.93
       6.03    6.12
   
      -1397.91414893 
      -1397.87334878 
      -1397.90054888 
   
  
  
       2.47    2.49
       6.86    6.89
   
    -178169.23505122 
    -178169.20170046 
    -178169.22393430 
   
  
  
       2.11    2.15
       6.63    6.68
   
    -722289.97780450 
    -722289.94458378 
    -722289.96673093 
   
  
  
       1.89    1.91
       6.26    6.29
   
     -58808.21565131 
     -58808.20816603 
     -58808.21315621 
   
  
  
       1.75    1.76
       5.71    5.73
   
    -112334.84246462 
    -112334.79781152 
    -112334.82758025 
   
  
  
       0.80    0.80
       3.33    3.34
   
    -142004.09950097 
    -142004.06944138 
    -142004.08948111 
   
  
  
       0.66    0.66
       2.05    2.06
   
     -64375.52187163 
     -64375.53029084 
     -64375.52467804 
   
  
  
       0.73    0.74
       2.13    2.14
   
    -113475.53369971 
    -113475.51213993 
    -113475.52651312 
   
  
  
       0.74    0.74
       2.09    2.10
   
    -209131.01167240 
    -209131.01547166 
    -209131.01293882 
   
  
  
       0.75    0.75
       2.09    2.10
   
     -74761.45165081 
     -74761.45812070 
     -74761.45380744 
   
  
  
       0.67    0.67
       2.01    2.02
   
    -105088.72211467 
    -105088.69100749 
    -105088.71174561 
   
  
  
       0.60    0.60
       1.97    1.97
   
       -195.36667072 
       -195.38786497 
       -195.37373547 
   
  
  
       0.74    0.74
       2.09    2.09
   
      -3224.27274415 
      -3224.26186342 
      -3224.26911724 
   
  
  
       0.71    0.71
       2.08    2.08
   
      -6352.94639364 
      -6352.90618693 
      -6352.93299140 
   
  
  
       0.68    0.68
       2.04    2.04
   
      -3201.85541376 
      -3201.84548812 
      -3201.85210521 
   
  
  
       0.74    0.74
       2.11    2.12
   
     -37607.83332444 
     -37607.82427923 
     -37607.83030937 
   
  
  
       0.76    0.76
       2.18    2.18
   
     -73689.53590610 
     -73689.52539672 
     -73689.53240298 
   
  
  
       0.74    0.74
       2.21    2.21
   
     -82687.29636444 
     -82687.26544807 
     -82687.28605898 
   
  
  
       0.76    0.76
       2.19    2.19
   
    -209699.63756313 
    -209699.58801978 
    -209699.62104868 
   
  
  
       0.74    0.74
       2.13    2.13
   
    -641819.29757406 
    -641819.27310121 
    -641819.28941644