vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 06 19 
  12:50:23 
 
 
  structure opt. SiCON + 2*B new from job 1971
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
       2
        0.00001000
       -0.02000000
     800
       2
       1
      400.00000000
        0.73000000      1.11000000      0.75000000      0.77000000      0.82000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           10.16000000       0.00000000       0.00000000 
            0.00000000      10.16000000       0.00000000 
            0.00000000       0.00000000      10.16000000 
    
       1048.77209600 
    
            0.09842520       0.00000000       0.00000000 
            0.00000000       0.09842520       0.00000000 
            0.00000000       0.00000000       0.09842520 
    
   
   
           0.46171013       0.66087020       0.86662990 
           0.27215972       0.08597410       0.31973314 
           0.23652751       0.09033813       0.05234384 
           0.35351307       0.31021067       0.93415444 
           0.51945376       0.41959506       0.69109362 
           0.61220739       0.79028611       0.16928571 
           0.53655640       0.63036944       0.58727891 
           0.41468933       0.05598416       0.82906357 
           0.48023344       0.13979630       0.07885966 
           0.85173846       0.73222461       0.32368076 
           0.60831157       0.23169419       0.86497528 
           0.54536577       0.15346817       0.62950822 
           0.05860549       0.66038130       0.90287477 
           0.13397635       0.17357486       0.83808417 
           0.21153080       0.47572214       0.46263388 
           0.43367118       0.46267519       0.39352849 
           0.88071866       0.72946194       0.73720933 
           0.10602190       0.72466223       0.13839886 
           0.74936459       0.30882632       0.65234759 
           0.91372225       0.30544024       0.85174602 
           0.70256224       0.50476083       0.34482243 
           0.47617550       0.78668823       0.40095807 
           0.50888825       0.87485244       0.66608620 
           0.98350504       0.87122632       0.50772318 
           0.35053274       0.84298038       0.18542177 
           0.54945402       0.00452522       0.28568130 
           0.08530259       0.61069286       0.63740350 
           0.00608957       0.36728383       0.60697486 
           0.96616227       0.51972464       0.40245073 
           0.32181168       0.27338687       0.48881074 
           0.94976306       0.10221351       0.01877986 
           0.80218470       0.59221420       0.70057558 
           0.60718854       0.69205250       0.93909928 
           0.37645013       0.43224504       0.04673503 
           0.27492071       0.68505662       0.14266665 
           0.68135748       0.80942611       0.02262998 
           0.25198352       0.12935127       0.47354447 
           0.56569541       0.42085051       0.30520879 
           0.53347504       0.09957138       0.93231553 
           0.06656577       0.49620245       0.52547628 
           0.45212492       0.02604735       0.67394021 
           0.21892410       0.22582348       0.96572549 
           0.97486438       0.15443297       0.86562858 
           0.85584760       0.87041112       0.40477594 
           0.57940596       0.14155314       0.20758452 
           0.97773507       0.68367827       0.04832904 
           0.88190860       0.38181525       0.71300333 
           0.60111259       0.28208003       0.71121571 
           0.17274611       0.06482765       0.19625397 
           0.55896534       0.78381577       0.53963280 
           0.03282147       0.97782484       0.62091121 
           0.49535023       0.85675822       0.25727870 
           0.04259721       0.71826587       0.75122579 
           0.84633061       0.57270164       0.30463395 
           0.88078974       0.13936013       0.16766250 
           0.35415760       0.58067718       0.97033917 
           0.85398401       0.79979003       0.02922239 
           0.33541799       0.01500270       0.56003835 
           0.11945895       0.86637248       0.72258251 
           0.57545584       0.25411827       0.33126203 
           0.72200938       0.16278734       0.12234523 
           0.09611766       0.11262024       0.53568127 
           0.24471372       0.39584523       0.14914665 
           0.54023506       0.44906445       0.12658259 
           0.65507576       0.96397705       0.92854984 
           0.87245170       0.03380287       0.31816615 
           0.13496885       0.35651701       0.06233692 
           0.90599372       0.04621125       0.73524560 
           0.71452122       0.87429587       0.51845125 
           0.88329782       0.54534967       0.12554734 
           0.51657171       0.55763584       0.70074026 
           0.32483201       0.40235681       0.44668099 
           0.25879223       0.61002381       0.95490315 
           0.89029018       0.89108903       0.00593897 
           0.29792736       0.92219294       0.55110151 
           0.17608341       0.90430706       0.79659686 
           0.53229089       0.22173574       0.41628270 
           0.71306408       0.21557625       0.03711215 
           0.04919287       0.19927194       0.55848069 
           0.21865753       0.46408363       0.21801872 
           0.65112388       0.92413421       0.82758193 
           0.78792445       0.08794509       0.36203804 
           0.10061928       0.43519887       0.99551259 
           0.82773211       0.10007491       0.68371874 
           0.75885040       0.87298030       0.61697378 
           0.92421149       0.44727338       0.11064052 
           0.74870222       0.01607999       0.93644897 
           0.95631447       0.07331906       0.37525837 
           0.05117016       0.32380886       0.12062632 
           0.86041665       0.95938185       0.78015738 
           0.67157904       0.97383184       0.50979177 
           0.78744269       0.54462633       0.07441872 
           0.77065015       0.59546565       0.55881529 
           0.10681334       0.93642944       0.19917752 
           0.92258332       0.27111313       0.21568723 
           0.17851319       0.79846355       0.36592063 
           0.07234254       0.16653192       0.22171915 
           0.61472480       0.38976425       0.07509343 
           0.56713709       0.55201367       0.10744481 
           0.68095675       0.58308158       0.78050408 
           0.51819908       0.77791830       0.00631497 
           0.63888574       0.69696005       0.07614385 
   
  
  
           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 
          73 
          74 
          75 
          76 
          77 
          78 
          79 
          80 
          81 
          82 
          83 
          84 
          85 
          86 
          87 
          88 
          89 
          90 
          91 
          92 
          93 
          94 
          95 
          96 
          97 
          98 
          99 
         100 
         101 
         102 
  
 
 
  
          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 
          0.00000000       0.50000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.50000000 
  
  
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
  
 
 
  
   structure opt. SiCON + 2*B new from job
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       11
      246
       -1
       -1
       386.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000     -0.00050000     -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      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  
           0.00100000
           0.00000001
           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
   
  
  
       50
       50
       50
      100
      100
      100
    F  
  
  
      800
        2
        0
        2
         0.00000000
        -0.02000000
        1
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
      800
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         0.73000000      1.11000000      0.75000000      0.77000000      0.82000000      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  
        16.00000000     28.08500000     14.00100000     12.01100000     10.81100000      1.00000000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      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
         6.16924762
         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  
  
 
 
       102 
         6 
  
   ion
   element
   atomtype
   
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    O    1
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    N    3
    N    3
    N    3
    N    3
    N    3
    N    3
    N    3
    N    3
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
    B    5
    B    5
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      31O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      24Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       8N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
       7C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       2B      10.81100000      3.00000000  PAW_PBE B 06Sep2000                   
      30H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          10.16000000       0.00000000       0.00000000 
           0.00000000      10.16000000       0.00000000 
           0.00000000       0.00000000      10.16000000 
   
      1048.77209600 
   
           0.09842520       0.00000000       0.00000000 
           0.00000000       0.09842520       0.00000000 
           0.00000000       0.00000000       0.09842520 
   
  
  
          0.46171013       0.66087020       0.86662990 
          0.27215972       0.08597410       0.31973314 
          0.23652751       0.09033813       0.05234384 
          0.35351307       0.31021067       0.93415444 
          0.51945376       0.41959506       0.69109362 
          0.61220739       0.79028611       0.16928571 
          0.53655640       0.63036944       0.58727891 
          0.41468933       0.05598416       0.82906357 
          0.48023344       0.13979630       0.07885966 
          0.85173846       0.73222461       0.32368076 
          0.60831157       0.23169419       0.86497528 
          0.54536577       0.15346817       0.62950822 
          0.05860549       0.66038130       0.90287477 
          0.13397635       0.17357486       0.83808417 
          0.21153080       0.47572214       0.46263388 
          0.43367118       0.46267519       0.39352849 
          0.88071866       0.72946194       0.73720933 
          0.10602190       0.72466223       0.13839886 
          0.74936459       0.30882632       0.65234759 
          0.91372225       0.30544024       0.85174602 
          0.70256224       0.50476083       0.34482243 
          0.47617550       0.78668823       0.40095807 
          0.50888825       0.87485244       0.66608620 
          0.98350504       0.87122632       0.50772318 
          0.35053274       0.84298038       0.18542177 
          0.54945402       0.00452522       0.28568130 
          0.08530259       0.61069286       0.63740350 
          0.00608957       0.36728383       0.60697486 
          0.96616227       0.51972464       0.40245073 
          0.32181168       0.27338687       0.48881074 
          0.94976306       0.10221351       0.01877986 
          0.80218470       0.59221420       0.70057558 
          0.60718854       0.69205250       0.93909928 
          0.37645013       0.43224504       0.04673503 
          0.27492071       0.68505662       0.14266665 
          0.68135748       0.80942611       0.02262998 
          0.25198352       0.12935127       0.47354447 
          0.56569541       0.42085051       0.30520879 
          0.53347504       0.09957138       0.93231553 
          0.06656577       0.49620245       0.52547628 
          0.45212492       0.02604735       0.67394021 
          0.21892410       0.22582348       0.96572549 
          0.97486438       0.15443297       0.86562858 
          0.85584760       0.87041112       0.40477594 
          0.57940596       0.14155314       0.20758452 
          0.97773507       0.68367827       0.04832904 
          0.88190860       0.38181525       0.71300333 
          0.60111259       0.28208003       0.71121571 
          0.17274611       0.06482765       0.19625397 
          0.55896534       0.78381577       0.53963280 
          0.03282147       0.97782484       0.62091121 
          0.49535023       0.85675822       0.25727870 
          0.04259721       0.71826587       0.75122579 
          0.84633061       0.57270164       0.30463395 
          0.88078974       0.13936013       0.16766250 
          0.35415760       0.58067718       0.97033917 
          0.85398401       0.79979003       0.02922239 
          0.33541799       0.01500270       0.56003835 
          0.11945895       0.86637248       0.72258251 
          0.57545584       0.25411827       0.33126203 
          0.72200938       0.16278734       0.12234523 
          0.09611766       0.11262024       0.53568127 
          0.24471372       0.39584523       0.14914665 
          0.54023506       0.44906445       0.12658259 
          0.65507576       0.96397705       0.92854984 
          0.87245170       0.03380287       0.31816615 
          0.13496885       0.35651701       0.06233692 
          0.90599372       0.04621125       0.73524560 
          0.71452122       0.87429587       0.51845125 
          0.88329782       0.54534967       0.12554734 
          0.51657171       0.55763584       0.70074026 
          0.32483201       0.40235681       0.44668099 
          0.25879223       0.61002381       0.95490315 
          0.89029018       0.89108903       0.00593897 
          0.29792736       0.92219294       0.55110151 
          0.17608341       0.90430706       0.79659686 
          0.53229089       0.22173574       0.41628270 
          0.71306408       0.21557625       0.03711215 
          0.04919287       0.19927194       0.55848069 
          0.21865753       0.46408363       0.21801872 
          0.65112388       0.92413421       0.82758193 
          0.78792445       0.08794509       0.36203804 
          0.10061928       0.43519887       0.99551259 
          0.82773211       0.10007491       0.68371874 
          0.75885040       0.87298030       0.61697378 
          0.92421149       0.44727338       0.11064052 
          0.74870222       0.01607999       0.93644897 
          0.95631447       0.07331906       0.37525837 
          0.05117016       0.32380886       0.12062632 
          0.86041665       0.95938185       0.78015738 
          0.67157904       0.97383184       0.50979177 
          0.78744269       0.54462633       0.07441872 
          0.77065015       0.59546565       0.55881529 
          0.10681334       0.93642944       0.19917752 
          0.92258332       0.27111313       0.21568723 
          0.17851319       0.79846355       0.36592063 
          0.07234254       0.16653192       0.22171915 
          0.61472480       0.38976425       0.07509343 
          0.56713709       0.55201367       0.10744481 
          0.68095675       0.58308158       0.78050408 
          0.51819908       0.77791830       0.00631497 
          0.63888574       0.69696005       0.07614385 
  
 
 
  
   
   
   
        498.71028370 
     -12172.65357681 
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        995.85102080 
      15408.14170601 
     -15053.73113987 
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       -521.20509236 
       -521.22419331 
       -521.21145934