vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 04 13 
  21:47:45 
 
 
  structure opt. SiCONB type 2, B(SiO)3 from job 1732
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.77000000      0.75000000      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 
    
   
   
           0.50998780       0.64556079       0.83709677 
           0.78770282       0.53288064       0.81949437 
           0.36765463       0.46034649       0.02258048 
           0.21018927       0.81171800       0.26696449 
           0.68315500       0.82909637       0.02447137 
           0.61754398       0.53861547       0.66948460 
           0.21652428       0.11315191       0.50098924 
           0.51719817       0.44555398       0.25547201 
           0.53939654       0.10983644       0.92694470 
           0.01569055       0.48898659       0.54062094 
           0.43591097       0.00614824       0.67975655 
           0.21663910       0.24508771       0.96999280 
           0.99394694       0.11102484       0.88032859 
           0.84540672       0.87946215       0.41530407 
           0.60271893       0.16226158       0.20751121 
           0.97870928       0.70021351       0.07355925 
           0.86810083       0.33974315       0.72279006 
           0.60158357       0.25429003       0.68539523 
           0.15195455       0.20521202       0.24229733 
           0.57771199       0.80403559       0.53258488 
           0.02521522       0.93463670       0.64231798 
           0.49706733       0.87693273       0.25324705 
           0.02467469       0.68322687       0.77142865 
           0.81672452       0.58925021       0.32254633 
           0.92158367       0.13324294       0.18312950 
           0.61468525       0.73412711       0.91343780 
           0.37800628       0.60207499       0.92901849 
           0.49568235       0.45795760       0.11904793 
           0.19862289       0.08104514       0.34211173 
           0.23741308       0.16720109       0.10928761 
           0.35277326       0.32522660       0.92950535 
           0.54164591       0.39685791       0.63566885 
           0.59377734       0.79654571       0.15478221 
           0.61482467       0.64854617       0.55043675 
           0.41863189       0.04223205       0.83727333 
           0.51005484       0.16343547       0.07438906 
           0.80278182       0.74833023       0.33443583 
           0.59376906       0.23930861       0.84489594 
           0.52580231       0.12910899       0.62084028 
           0.05064504       0.65671408       0.93050026 
           0.15307019       0.14242441       0.86397019 
           0.55232591       0.27823820       0.31643189 
           0.86406645       0.67546785       0.75796526 
           0.10227530       0.77991033       0.14746137 
           0.75632687       0.24644539       0.64542010 
           0.92003415       0.25098274       0.84837367 
           0.67183714       0.52142583       0.30165372 
           0.48612391       0.80846601       0.39935052 
           0.49621305       0.85304377       0.66853835 
           0.96586340       0.84508903       0.51923076 
           0.34703856       0.87111001       0.19309211 
           0.56983353       0.01944866       0.27542931 
           0.07831284       0.57050373       0.66638223 
           0.98218912       0.34496150       0.60586407 
           0.88440450       0.54100424       0.46303484 
           0.96579441       0.07219839       0.03596276 
           0.67105094       0.98926010       0.94016815 
           0.91640337       0.01466128       0.31880450 
           0.11631216       0.39087776       0.01197418 
           0.91604899       0.98617210       0.77543719 
           0.39687946       0.54698511       0.35732456 
           0.70751525       0.92597747       0.52044574 
           0.92073768       0.55665407       0.17467791 
           0.85024062       0.80760426       0.04640977 
           0.31538173       0.99477522       0.56613385 
           0.12884045       0.46134070       0.41200000 
           0.11929997       0.81976824       0.72649734 
           0.76493664       0.19940064       0.16049681 
           0.07576219       0.08579952       0.58432558 
           0.27862861       0.27087028       0.54817559 
           0.37318522       0.48328756       0.48309301 
           0.24650437       0.40552612       0.47241861 
           0.89142228       0.90026234       0.03867545 
           0.31389028       0.90778099       0.51545225 
           0.19639370       0.78431968       0.67194500 
           0.76168886       0.26569327       0.08401154 
           0.01011570       0.16168722       0.59060645 
           0.68899849       0.95542917       0.83904089 
           0.92052766       0.08799331       0.40021245 
           0.08473154       0.44624315       0.92491062 
           0.83103738       0.04067038       0.73782680 
           0.44205578       0.64233557       0.37630058 
           0.74466930       0.94284868       0.61988875 
           0.00459769       0.49810396       0.20929992 
           0.75596680       0.04932679       0.96813740 
           0.01965760       0.98056922       0.31870840 
           0.02680015       0.36701413       0.06716219 
           0.88164680       0.90154573       0.83219976 
           0.30634053       0.55985740       0.30492757 
           0.66038068       0.01671494       0.48697207 
           0.86303806       0.49452166       0.10686182 
           0.35717992       0.55996130       0.55572361 
           0.08693239       0.38373819       0.35200669 
           0.38464660       0.26133971       0.54379635 
   
  
  
           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 
  
 
 
  
          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. SiCONB type 2, B(SiO)3 fr
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      237
       -1
       -1
       379.00000000
        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
     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
           0.00000001
           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  
  
  
        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
         1.11000000      0.73000000      0.77000000      0.75000000      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  
        28.08500000     16.00000000     12.01100000     14.00100000     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
         6.69428997
         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  
  
 
 
        94 
         6 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    C    3
    C    3
    C    3
    C    3
    C    3
    C    3
    C    3
    N    4
    N    4
    N    4
    N    4
    N    4
    N    4
    N    4
    N    4
    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
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      25Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      31O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       7C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       8N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
       1B      10.81100000      3.00000000  PAW_PBE B 06Sep2000                   
      22H       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 
   
  
  
          0.50998780       0.64556079       0.83709677 
          0.78770282       0.53288064       0.81949437 
          0.36765463       0.46034649       0.02258048 
          0.21018927       0.81171800       0.26696449 
          0.68315500       0.82909637       0.02447137 
          0.61754398       0.53861547       0.66948460 
          0.21652428       0.11315191       0.50098924 
          0.51719817       0.44555398       0.25547201 
          0.53939654       0.10983644       0.92694470 
          0.01569055       0.48898659       0.54062094 
          0.43591097       0.00614824       0.67975655 
          0.21663910       0.24508771       0.96999280 
          0.99394694       0.11102484       0.88032859 
          0.84540672       0.87946215       0.41530407 
          0.60271893       0.16226158       0.20751121 
          0.97870928       0.70021351       0.07355925 
          0.86810083       0.33974315       0.72279006 
          0.60158357       0.25429003       0.68539523 
          0.15195455       0.20521202       0.24229733 
          0.57771199       0.80403559       0.53258488 
          0.02521522       0.93463670       0.64231798 
          0.49706733       0.87693273       0.25324705 
          0.02467469       0.68322687       0.77142865 
          0.81672452       0.58925021       0.32254633 
          0.92158367       0.13324294       0.18312950 
          0.61468525       0.73412711       0.91343780 
          0.37800628       0.60207499       0.92901849 
          0.49568235       0.45795760       0.11904793 
          0.19862289       0.08104514       0.34211173 
          0.23741308       0.16720109       0.10928761 
          0.35277326       0.32522660       0.92950535 
          0.54164591       0.39685791       0.63566885 
          0.59377734       0.79654571       0.15478221 
          0.61482467       0.64854617       0.55043675 
          0.41863189       0.04223205       0.83727333 
          0.51005484       0.16343547       0.07438906 
          0.80278182       0.74833023       0.33443583 
          0.59376906       0.23930861       0.84489594 
          0.52580231       0.12910899       0.62084028 
          0.05064504       0.65671408       0.93050026 
          0.15307019       0.14242441       0.86397019 
          0.55232591       0.27823820       0.31643189 
          0.86406645       0.67546785       0.75796526 
          0.10227530       0.77991033       0.14746137 
          0.75632687       0.24644539       0.64542010 
          0.92003415       0.25098274       0.84837367 
          0.67183714       0.52142583       0.30165372 
          0.48612391       0.80846601       0.39935052 
          0.49621305       0.85304377       0.66853835 
          0.96586340       0.84508903       0.51923076 
          0.34703856       0.87111001       0.19309211 
          0.56983353       0.01944866       0.27542931 
          0.07831284       0.57050373       0.66638223 
          0.98218912       0.34496150       0.60586407 
          0.88440450       0.54100424       0.46303484 
          0.96579441       0.07219839       0.03596276 
          0.67105094       0.98926010       0.94016815 
          0.91640337       0.01466128       0.31880450 
          0.11631216       0.39087776       0.01197418 
          0.91604899       0.98617210       0.77543719 
          0.39687946       0.54698511       0.35732456 
          0.70751525       0.92597747       0.52044574 
          0.92073768       0.55665407       0.17467791 
          0.85024062       0.80760426       0.04640977 
          0.31538173       0.99477522       0.56613385 
          0.12884045       0.46134070       0.41200000 
          0.11929997       0.81976824       0.72649734 
          0.76493664       0.19940064       0.16049681 
          0.07576219       0.08579952       0.58432558 
          0.27862861       0.27087028       0.54817559 
          0.37318522       0.48328756       0.48309301 
          0.24650437       0.40552612       0.47241861 
          0.89142228       0.90026234       0.03867545 
          0.31389028       0.90778099       0.51545225 
          0.19639370       0.78431968       0.67194500 
          0.76168886       0.26569327       0.08401154 
          0.01011570       0.16168722       0.59060645 
          0.68899849       0.95542917       0.83904089 
          0.92052766       0.08799331       0.40021245 
          0.08473154       0.44624315       0.92491062 
          0.83103738       0.04067038       0.73782680 
          0.44205578       0.64233557       0.37630058 
          0.74466930       0.94284868       0.61988875 
          0.00459769       0.49810396       0.20929992 
          0.75596680       0.04932679       0.96813740 
          0.01965760       0.98056922       0.31870840 
          0.02680015       0.36701413       0.06716219 
          0.88164680       0.90154573       0.83219976 
          0.30634053       0.55985740       0.30492757 
          0.66038068       0.01671494       0.48697207 
          0.86303806       0.49452166       0.10686182 
          0.35717992       0.55996130       0.55572361 
          0.08693239       0.38373819       0.35200669 
          0.38464660       0.26133971       0.54379635 
  
 
 
  
       3.08    3.10
       3.25    3.27
   
        477.37766585 
     -11992.54411656 
      -7061.03684239 
        956.06555213 
      15435.69342063 
     -15064.47387034 
         -0.00427794 
       -242.64223081 
      19468.19153671 
       1976.62683729 
       1976.63111522 
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       3.53    3.55
       3.53    3.55
   
       -498.73479733 
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       3.49    3.51
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       -700.58441999 
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       3.53    3.55
       3.53    3.55
   
       -704.95370058 
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       3.48    3.50
       3.56    3.57
   
       -705.08391815 
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       3.33    3.35
       3.56    3.58
   
       -625.77611290 
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       3.60    3.62
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       -624.02316481 
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       3.45    3.46
       3.67    3.69
   
       -623.54401969 
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       3.44    3.46
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       -623.50796769 
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       3.42    3.44
       3.65    3.67
   
       -623.52189807 
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       3.49    3.51
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       -623.52816483 
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       3.43    3.45
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       -623.53081292 
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       3.47    3.49
       3.70    3.72
   
       -623.53162530 
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       3.50    3.52
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       -623.53173155 
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       3.35    3.37
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       -623.53174877 
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       -623.51507690