vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 29 
  14:21:19 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.77000000      1.11000000      0.73000000      0.75000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           30.00000000       0.00000000       0.00000000 
            0.00000000      20.00000000       0.00000000 
            0.00000000       0.00000000      15.00000000 
    
       9000.00000000 
    
            0.03333333       0.00000000       0.00000000 
            0.00000000       0.05000000       0.00000000 
            0.00000000       0.00000000       0.06666667 
    
   
   
           0.21933482       0.52563099       0.33424907 
           0.27183760       0.39572998       0.28508048 
           0.14143539       0.45473066       0.23534029 
           0.63622392       0.65355175       0.48038473 
           0.54377378       0.58480965       0.48653549 
           0.59056751       0.77661208       0.47918184 
           0.27297897       0.48801786       0.29333997 
           0.17315748       0.53462817       0.25344871 
           0.36536379       0.54193843       0.37193012 
           0.45670602       0.47988458       0.36446386 
           0.37844538       0.42001707       0.49788268 
           0.60372503       0.57792362       0.43809731 
           0.63355814       0.73387029       0.43001850 
           0.63097268       0.41778261       0.42755230 
           0.56761691       0.32354090       0.35976956 
           0.56121836       0.37027766       0.55376958 
           0.28636331       0.52234624       0.19663768 
           0.31387243       0.50597871       0.36757905 
           0.19752576       0.56025114       0.15805257 
           0.13705710       0.59545939       0.27857553 
           0.60098809       0.58344691       0.32199662 
           0.61763047       0.49883473       0.44726520 
           0.63443301       0.71236261       0.32403327 
           0.68247940       0.76017456       0.45026649 
           0.40074999       0.47557318       0.41310095 
           0.34969895       0.46242767       0.58018719 
           0.46731934       0.56836819       0.37606773 
           0.58395337       0.36951757       0.44271970 
           0.59651066       0.38762535       0.63870900 
           0.60072716       0.26024666       0.31968362 
           0.20772959       0.49702866       0.39302201 
           0.22734501       0.57687109       0.35804526 
           0.26116274       0.54236216       0.16434194 
           0.26706908       0.37322664       0.35091175 
           0.30374267       0.37765493       0.25889120 
           0.24564644       0.37814261       0.24099578 
           0.11485711       0.46007453       0.18484998 
           0.12615594       0.43644250       0.29771237 
           0.16454220       0.41550073       0.21184292 
           0.17963765       0.58347518       0.11540797 
           0.10929805       0.58417535       0.30645654 
           0.37051737       0.55581441       0.27947744 
           0.36363301       0.59526711       0.42912137 
           0.47723116       0.41777899       0.42081374 
           0.45661647       0.47129711       0.27952974 
           0.34756306       0.37008721       0.44912669 
           0.42150872       0.38723422       0.52911895 
           0.31748566       0.47409682       0.56467597 
           0.36944900       0.48868994       0.62165960 
           0.51099518       0.56777944       0.32602976 
           0.49208804       0.54838030       0.42855559 
           0.63095917       0.64030033       0.55313764 
           0.66793835       0.61036408       0.45166165 
           0.61248694       0.62771387       0.30027484 
           0.53785727       0.56874883       0.55487787 
           0.53696001       0.54691339       0.43795434 
           0.53243722       0.63879287       0.47375709 
           0.59114630       0.82515000       0.44866309 
           0.59268928       0.78147551       0.55163119 
           0.56033459       0.75053692       0.46311761 
           0.64160360       0.75318643       0.28970226 
           0.68548361       0.80208777       0.49248972 
           0.64294385       0.41967408       0.32905852 
           0.67036801       0.40213931       0.48118710 
           0.52514950       0.29171827       0.39067756 
           0.55780704       0.36602231       0.27608544 
           0.52421592       0.41663643       0.55622574 
           0.54442452       0.29931022       0.56214850 
           0.60269335       0.43461578       0.65411426 
           0.62282324       0.35688609       0.65017622 
           0.62598888       0.27027433       0.27562704 
           0.61086825       0.22181705       0.36073485 
   
  
  
           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 
          37 
          38 
          39 
          40 
          41 
          42 
          43 
          44 
          45 
          46 
          47 
          48 
          49 
          50 
          51 
          52 
          53 
          54 
          55 
          56 
          57 
          58 
          59 
          60 
          61 
          62 
          63 
          64 
          65 
          66 
          67 
          68 
          69 
          70 
          71 
          72 
  
 
 
  
          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
      129
       -1
       -1
       184.00000000
        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
   
   
         1
     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      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
           0.00000002
           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
   
  
  
      150
       98
       80
      300
      196
      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
         0.77000000      1.11000000      0.73000000      0.75000000      0.32000000
      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  
        12.01100000     28.08500000     16.00000000     14.00100000      1.00000000
         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  
  
 
 
        72 
         5 
  
   ion
   element
   atomtype
   
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    N    4
    N    4
    N    4
    N    4
    N    4
    N    4
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       6C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      10Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       8O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       6N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
      42H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          30.00000000       0.00000000       0.00000000 
           0.00000000      20.00000000       0.00000000 
           0.00000000       0.00000000      15.00000000 
   
      9000.00000000 
   
           0.03333333       0.00000000       0.00000000 
           0.00000000       0.05000000       0.00000000 
           0.00000000       0.00000000       0.06666667 
   
  
  
          0.21933482       0.52563099       0.33424907 
          0.27183760       0.39572998       0.28508048 
          0.14143539       0.45473066       0.23534029 
          0.63622392       0.65355175       0.48038473 
          0.54377378       0.58480965       0.48653549 
          0.59056751       0.77661208       0.47918184 
          0.27297897       0.48801786       0.29333997 
          0.17315748       0.53462817       0.25344871 
          0.36536379       0.54193843       0.37193012 
          0.45670602       0.47988458       0.36446386 
          0.37844538       0.42001707       0.49788268 
          0.60372503       0.57792362       0.43809731 
          0.63355814       0.73387029       0.43001850 
          0.63097268       0.41778261       0.42755230 
          0.56761691       0.32354090       0.35976956 
          0.56121836       0.37027766       0.55376958 
          0.28636331       0.52234624       0.19663768 
          0.31387243       0.50597871       0.36757905 
          0.19752576       0.56025114       0.15805257 
          0.13705710       0.59545939       0.27857553 
          0.60098809       0.58344691       0.32199662 
          0.61763047       0.49883473       0.44726520 
          0.63443301       0.71236261       0.32403327 
          0.68247940       0.76017456       0.45026649 
          0.40074999       0.47557318       0.41310095 
          0.34969895       0.46242767       0.58018719 
          0.46731934       0.56836819       0.37606773 
          0.58395337       0.36951757       0.44271970 
          0.59651066       0.38762535       0.63870900 
          0.60072716       0.26024666       0.31968362 
          0.20772959       0.49702866       0.39302201 
          0.22734501       0.57687109       0.35804526 
          0.26116274       0.54236216       0.16434194 
          0.26706908       0.37322664       0.35091175 
          0.30374267       0.37765493       0.25889120 
          0.24564644       0.37814261       0.24099578 
          0.11485711       0.46007453       0.18484998 
          0.12615594       0.43644250       0.29771237 
          0.16454220       0.41550073       0.21184292 
          0.17963765       0.58347518       0.11540797 
          0.10929805       0.58417535       0.30645654 
          0.37051737       0.55581441       0.27947744 
          0.36363301       0.59526711       0.42912137 
          0.47723116       0.41777899       0.42081374 
          0.45661647       0.47129711       0.27952974 
          0.34756306       0.37008721       0.44912669 
          0.42150872       0.38723422       0.52911895 
          0.31748566       0.47409682       0.56467597 
          0.36944900       0.48868994       0.62165960 
          0.51099518       0.56777944       0.32602976 
          0.49208804       0.54838030       0.42855559 
          0.63095917       0.64030033       0.55313764 
          0.66793835       0.61036408       0.45166165 
          0.61248694       0.62771387       0.30027484 
          0.53785727       0.56874883       0.55487787 
          0.53696001       0.54691339       0.43795434 
          0.53243722       0.63879287       0.47375709 
          0.59114630       0.82515000       0.44866309 
          0.59268928       0.78147551       0.55163119 
          0.56033459       0.75053692       0.46311761 
          0.64160360       0.75318643       0.28970226 
          0.68548361       0.80208777       0.49248972 
          0.64294385       0.41967408       0.32905852 
          0.67036801       0.40213931       0.48118710 
          0.52514950       0.29171827       0.39067756 
          0.55780704       0.36602231       0.27608544 
          0.52421592       0.41663643       0.55622574 
          0.54442452       0.29931022       0.56214850 
          0.60269335       0.43461578       0.65411426 
          0.62282324       0.35688609       0.65017622 
          0.62598888       0.27027433       0.27562704 
          0.61086825       0.22181705       0.36073485 
  
 
 
  
       7.42    7.44
      16.25   16.26
   
         12.76274539 
      15297.45439521 
     -20828.66769270 
        423.88757779 
       5623.99163154 
      -5473.38338495 
         -0.00867715 
      -1096.61558718 
       7482.47896021 
       1441.89996816 
       1441.90864531 
       1441.90286054 
   
  
  
       8.76    8.77
       8.77    8.77
   
        238.14468668 
        238.17454578 
        238.15463972 
   
  
  
       8.14    8.14
       8.15    8.15
   
       -354.67222918 
       -354.68382538 
       -354.67609458 
   
  
  
       7.27    7.27
       7.28    7.28
   
       -423.68138744 
       -423.70933453 
       -423.69070314 
   
  
  
       6.94    6.93
       8.20    8.20
   
       -425.24596649 
       -425.27431864 
       -425.25541720 
   
  
  
       7.05    7.06
      17.96   17.96
   
       -380.37686703 
       -380.38946402 
       -380.38106603 
   
  
  
       7.48    7.49
      18.49   18.49
   
       -376.96241861 
       -376.97829053 
       -376.96770925 
   
  
  
       7.00    6.99
      17.99   17.97
   
       -375.44516692 
       -375.46792513 
       -375.45275299 
   
  
  
       6.80    6.80
      17.93   17.92
   
       -374.88996908 
       -374.90544873 
       -374.89512896 
   
  
  
       6.92    6.93
      18.02   18.02
   
       -374.82633394 
       -374.83912369 
       -374.83059719 
   
  
  
       6.40    6.40
      17.59   17.58
   
       -374.79367905 
       -374.80644901 
       -374.79793570 
   
  
  
       5.82    5.82
      16.84   16.82
   
       -374.76227382 
       -374.77438311 
       -374.76631025 
   
  
  
       5.24    5.25
      16.52   16.51
   
       -374.75637087 
       -374.76816168 
       -374.76030114