vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2026 03 04 
  08:07:38 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
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  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
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       6018.44942249 
    
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           0.29809302       0.88537802       0.26179772 
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          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
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         0.00001000
       38
       10
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       -1
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        0
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         1
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     T  
     T  
   
   
     T  
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      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     F  
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         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
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     F  
   
   
     F  
     F  
   
   
       200
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
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          4
           0.40000000
    
   
   
          0.40000000
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          4
      F  
        -45
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          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       80
       80
      150
      160
      160
      300
    F  
  
  
        0
       -1
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        2
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         0.00010000
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        1
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        2
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        0
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      301
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       -10.00000000
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        1
    F  
    F  
    F  
    F  
    F  
    F  
    F  
    F  
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        14.00100000     28.08500000      1.00000000    126.90400000
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    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
        15.56495540
         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  
  
 
 
       232 
         4 
  
   ion
   element
   atomtype
   
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    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
    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
    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
    Si   2
    Si   2
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    I    4
    I    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
     100N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
      74Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      56H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       2I     126.90400000      7.00000000  PAW_PBE I 08Apr2002                   
   
  
 
 
  
   
          15.22006000       0.00000000       0.00000000 
          -7.61003000      13.18095860       0.00000000 
           0.00000000       0.00000000      30.00000000 
   
      6018.44942249 
   
           0.06570276       0.03793351       0.00000000 
           0.00000000       0.07586702       0.00000000 
           0.00000000       0.00000000       0.03333333 
   
  
  
          0.38478401       0.98638002       0.46129966 
          0.47870790       0.29162373       0.46826456 
          0.18546213       0.16481769       0.46040323 
          0.14897468       0.48793881       0.21516366 
          0.01159854       0.15922704       0.21517062 
          0.34025832       0.35047088       0.21519305 
          0.35240593       0.01703797       0.36059779 
          0.48064371       0.33373336       0.36137713 
          0.16746918       0.14882158       0.36085065 
          0.14815589       0.48151019       0.31109363 
          0.01815352       0.16492706       0.31109625 
          0.33473215       0.35150219       0.31112424 
          0.34958074       0.01612086       0.26342807 
          0.48347353       0.33167448       0.26342529 
          0.16793699       0.15002713       0.26339926 
          0.21485972       0.48000868       0.41491158 
          0.06425098       0.18062033       0.41929824 
          0.31165075       0.31787395       0.42112348 
          0.16698949       0.33260060       0.25738905 
          0.35563220       0.15229587       0.41867480 
          0.16637193       0.33388693       0.36107493 
          0.33369301       0.16598691       0.31183824 
          0.25087590       0.39081665       0.47347818 
          0.33364478       0.16588255       0.20787774 
          0.46913052       0.42971258       0.45897585 
          0.66722785       0.92714084       0.44987344 
          0.21062102       0.68168369       0.44081186 
          0.14897468       0.98793881       0.21516366 
          0.01159854       0.65922704       0.21517062 
          0.34025832       0.85047088       0.21519305 
          0.35248595       0.51706805       0.36071781 
          0.48120035       0.83343383       0.36119007 
          0.16711834       0.64861447       0.36071664 
          0.14815589       0.98151019       0.31109363 
          0.01815352       0.66492706       0.31109625 
          0.33473215       0.85150219       0.31112424 
          0.34958074       0.51612085       0.26342807 
          0.48347353       0.83167448       0.26342529 
          0.16793699       0.65002713       0.26339926 
          0.15733527       0.97847267       0.41633987 
          0.00197644       0.67818475       0.41554556 
          0.37888458       0.86037101       0.41533669 
          0.16698949       0.83260060       0.25738905 
          0.31928042       0.68447507       0.43066350 
          0.16615904       0.83344535       0.36126305 
          0.33369301       0.66598691       0.31183824 
          0.19344327       0.78850225       0.47163602 
          0.33364478       0.66588255       0.20787774 
          0.93190830       0.08400891       0.47460014 
          0.03536022       0.31825977       0.46476676 
          0.68961290       0.16895641       0.45501797 
          0.64897468       0.48793881       0.21516366 
          0.51159854       0.15922704       0.21517062 
          0.84025832       0.35047088       0.21519305 
          0.85265532       0.01656286       0.36059030 
          0.98145473       0.33362530       0.36097029 
          0.66705833       0.14805904       0.36093634 
          0.64815589       0.48151019       0.31109363 
          0.51815352       0.16492706       0.31109625 
          0.83473215       0.35150219       0.31112424 
          0.84958074       0.01612086       0.26342807 
          0.98347353       0.33167448       0.26342529 
          0.66793699       0.15002713       0.26339926 
          0.63855805       0.48613778       0.45716353 
          0.53883635       0.16071121       0.42217793 
          0.84955758       0.36055142       0.40756274 
          0.66698949       0.33260060       0.25738905 
          0.89069168       0.22778861       0.41596995 
          0.66502762       0.33190774       0.36156080 
          0.83369301       0.16598691       0.31183824 
          0.68896828       0.31650851       0.45815482 
          0.83364478       0.16588255       0.20787774 
          0.85295673       0.50912519       0.47047204 
          0.00752799       0.81868413       0.45157150 
          0.39905151       0.45724096       0.48800617 
          0.64897468       0.98793881       0.21516366 
          0.51159854       0.65922704       0.21517062 
          0.84025832       0.85047088       0.21519305 
          0.85032370       0.51626095       0.36056862 
          0.98049995       0.83270760       0.36127867 
          0.66573257       0.64656323       0.36110824 
          0.64815589       0.98151019       0.31109363 
          0.51815352       0.66492706       0.31109625 
          0.83473215       0.85150219       0.31112424 
          0.84958074       0.51612085       0.26342807 
          0.98347353       0.83167448       0.26342529 
          0.66793699       0.65002713       0.26339926 
          0.73349021       0.03311086       0.41536648 
          0.55947584       0.80388447       0.23994896 
          0.86866133       0.88796585       0.45988427 
          0.66698949       0.83260060       0.25738905 
          0.75360288       0.61488023       0.45056459 
          0.66627586       0.83364423       0.36136274 
          0.83369301       0.66598691       0.31183824 
          0.88520850       0.02877568       0.48053379 
          0.83364478       0.66588255       0.20787774 
          0.97127415       0.08342399       0.37461900 
          0.60821590       0.02815847       0.04784944 
          0.39385504       0.01136974       0.08436577 
          0.75718433       0.81683589       0.58240004 
          0.31615145       0.30776004       0.46177363 
          0.19380962       0.45327943       0.48090178 
          0.15390901       0.27219234       0.46033239 
          0.20396896       0.11814319       0.21357447 
          0.38138016       0.08395027       0.21358519 
          0.41555493       0.29554554       0.21360382 
          0.29619256       0.38640789       0.35847100 
          0.11263323       0.41228080       0.36136788 
          0.08897065       0.20177586       0.36069513 
          0.20284702       0.11296873       0.31182846 
          0.38669785       0.08815470       0.31184005 
          0.41151125       0.29682367       0.31185081 
          0.29809302       0.38537802       0.26179772 
          0.11420773       0.41092318       0.26178761 
          0.08868134       0.20150406       0.26177530 
          0.21653681       0.13399619       0.40165759 
          0.41506353       0.09088707       0.41727608 
          0.39933702       0.29414118       0.42057314 
          0.30869460       0.86124633       0.45745444 
          0.14896624       0.89957080       0.46763193 
          0.10456168       0.65394453       0.46557576 
          0.20396896       0.61814319       0.21357447 
          0.38138016       0.58395027       0.21358519 
          0.41555493       0.79554554       0.21360382 
          0.29646446       0.88555629       0.35860218 
          0.11202917       0.91095853       0.36110827 
          0.08843348       0.70096144       0.36117379 
          0.20284702       0.61296873       0.31182846 
          0.38669785       0.58815470       0.31184005 
          0.41151125       0.79682367       0.31185081 
          0.29809302       0.88537802       0.26179772 
          0.11420773       0.91092318       0.26178761 
          0.08868134       0.70150406       0.26177530 
          0.14826091       0.58255762       0.39378974 
          0.39817071       0.58822083       0.42586319 
          0.46904718       0.81643134       0.42077372 
          0.82487470       0.37420294       0.46403958 
          0.62063301       0.39906588       0.48701746 
          0.60078232       0.20182626       0.45911660 
          0.70396896       0.11814319       0.21357447 
          0.88138016       0.08395027       0.21358519 
          0.91555493       0.29554554       0.21360382 
          0.79622850       0.38558241       0.35851006 
          0.61188970       0.40916712       0.35901920 
          0.58763043       0.19888966       0.36141330 
          0.70284702       0.11296873       0.31182846 
          0.88669785       0.08815470       0.31184005 
          0.91151125       0.29682367       0.31185081 
          0.79809302       0.38537802       0.26179772 
          0.61420773       0.41092318       0.26178761 
          0.58868134       0.20150406       0.26177530 
          0.74563610       0.14716475       0.41646378 
          0.92559693       0.11942420       0.42848707 
          0.94912070       0.33611312       0.40552449 
          0.95058959       0.99430711       0.49383372 
          0.75777403       0.00819312       0.47000601 
          0.60292046       0.90659550       0.36196345 
          0.70396896       0.61814319       0.21357447 
          0.88138016       0.58395027       0.21358519 
          0.91555493       0.79554554       0.21360382 
          0.79640087       0.88561177       0.35864095 
          0.61245981       0.91239168       0.36180046 
          0.58852083       0.70171027       0.36091310 
          0.70284702       0.61296873       0.31182846 
          0.88669785       0.58815470       0.31184005 
          0.91151125       0.79682367       0.31185081 
          0.79809302       0.88537802       0.26179772 
          0.61420773       0.91092318       0.26178761 
          0.58868134       0.70150406       0.26177530 
          0.63424859       0.62577506       0.39967622 
          0.84479931       0.59305209       0.42836809 
          0.85694545       0.74258149       0.42620643 
          0.46005360       0.50016738       0.81343519 
          0.67211026       0.78618844       0.57352417 
          0.32634779       0.00831040       0.48102977 
          0.48972943       0.31358041       0.51571428 
          0.22062950       0.15528218       0.48901731 
          0.15081849       0.45245847       0.18662249 
          0.04700621       0.19657514       0.18662247 
          0.30244107       0.34796999       0.18671824 
          0.16766810       0.15257061       0.17489600 
          0.34697353       0.01317426       0.17493342 
          0.48630843       0.33187612       0.17494119 
          0.20451571       0.78957591       0.58032773 
          0.61130978       0.03041510       0.48559430 
          0.28695422       0.68045157       0.45291113 
          0.15081849       0.95245847       0.18662249 
          0.04700621       0.69657514       0.18662247 
          0.30244107       0.84796999       0.18671824 
          0.16766810       0.65257061       0.17489600 
          0.34697352       0.51317426       0.17493342 
          0.48630843       0.83187612       0.17494119 
          0.97174115       0.22319152       0.46928512 
          0.98563073       0.28612428       0.50074911 
          0.71519545       0.13911572       0.48122191 
          0.65081849       0.45245847       0.18662249 
          0.54700621       0.19657514       0.18662247 
          0.80244107       0.34796999       0.18671824 
          0.66766810       0.15257061       0.17489600 
          0.84697353       0.01317426       0.17493342 
          0.98630843       0.33187612       0.17494119 
          0.86639741       0.51153569       0.51476326 
          0.99386668       0.83482639       0.49313645 
          0.68244081       0.00375566       0.53330320 
          0.65081849       0.95245847       0.18662249 
          0.54700621       0.69657514       0.18662247 
          0.80244107       0.84796999       0.18671824 
          0.66766810       0.65257061       0.17489600 
          0.84697352       0.51317426       0.17493342 
          0.98630843       0.83187612       0.17494119 
          0.37520061       0.32490817       0.49965451 
          0.12014022       0.45520144       0.54084413 
          0.09177927       0.25579737       0.52440588 
          0.47282680       0.90671772       0.48872344 
          0.13924753       0.94052497       0.51625707 
          0.13563467       0.64549373       0.51772368 
          0.83709960       0.31868669       0.50315521 
          0.75158774       0.54294508       0.48683603 
          0.56182520       0.14800320       0.50252522 
          0.01106311       0.92459937       0.52157051 
          0.61334487       0.06944006       0.49050336 
          0.40558380       0.05177867       0.58326653 
          0.92490160       0.98828524       0.39875087 
          0.72643242       0.78340452       0.67974306 
          0.09534460       0.63269102       0.52215719 
          0.48312281       0.24534681       0.46320517 
          0.02690919       0.01317929       0.22292094 
          0.59556297       0.04864363       0.98095968 
          0.76206841       0.77480783       0.59991185 
          0.79265780       0.82694276       0.45118778 
          0.94962585       0.90722490       0.79581854 
          0.76780938       0.69629565       0.44794527 
  
  
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
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     T  T  T 
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     F  F  F 
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     F  F  F 
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      22.78   22.87
      27.39   27.48
   
        424.78594012 
     317680.58912873 
    -345467.41202992 
       1449.38094282 
      27677.79599520 
     -26442.92363683 
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