vasp 
  6.1.1  
  19Jun20 (build Jun 25 2020 02:42:34) complex                          parallel 
  Lin64 
  2021 10 10 
  08:07:44 
 
 
   Si81N2O160  Meta-GGA MBJLDA GPU
       0
   Normal
   Damped
   F  
       1
       1
       1
     300
       2
      -1
        0.00001000
       0
       0
      400.00000000
    1164
        1.11000000      0.73000000      0.75000000
   Auto
        0.40000000
       1
   F  
   F  
   T  
       4
   Damped
     300
       1
        0.00001000
   MBJ
   T  
   T  
       1
 
 
  
   
          14.43600000       0.00000000       0.00000000 
          -7.21800000      12.50194273       0.00000000 
           0.00000000       0.00000000      15.98100000 
   
      2884.21964114 
   
           0.06927127       0.03999378       0.00000000 
           0.00000000       0.07998757       0.00000000 
           0.00000000       0.00000000       0.06257431 
   
  
  
          0.15293676       0.00051923       0.11133101 
          0.00146942       0.15171548       0.22168938 
          0.18083416       0.18092267       0.00005415 
          0.15284255       0.00051767       0.44418001 
          0.99916438       0.15206644       0.55505642 
          0.18403892       0.18336946       0.33394886 
          0.15229081       0.00003659       0.77786740 
          0.99969436       0.15224549       0.88943669 
          0.18037726       0.18067254       0.66661435 
          0.15276042       0.33364720       0.11075771 
          0.99979769       0.48610801       0.22129429 
          0.18141349       0.51478794       0.99970403 
          0.14979056       0.33271301       0.44416459 
          0.00015496       0.48599524       0.55561885 
          0.18018758       0.51400489       0.33248145 
          0.15233980       0.33317957       0.77836397 
          0.99992445       0.48566481       0.88921993 
          0.18065948       0.51412227       0.66698965 
          0.15233454       0.66689782       0.11073301 
          0.99992678       0.81918823       0.22185062 
          0.18152111       0.84835881       0.00024565 
          0.15247913       0.66666253       0.44433335 
          0.00013231       0.81963629       0.55536861 
          0.18077117       0.84753665       0.33312095 
          0.15227238       0.66663990       0.77819537 
          0.00029197       0.81937330       0.88925025 
          0.18066468       0.84743426       0.66680890 
          0.48542986       0.00023381       0.11108020 
          0.33417991       0.15309212       0.22248697 
          0.51435354       0.18111231       0.99999233 
          0.48577206       0.00003163       0.44445499 
          0.33350100       0.15274102       0.55568744 
          0.51466394       0.18137579       0.33342245 
          0.48544839       0.99977661       0.77805110 
          0.33329643       0.15259361       0.88913703 
          0.51411654       0.18061476       0.66680236 
          0.48572245       0.33338567       0.11093644 
          0.33314143       0.48588103       0.22196820 
          0.51432038       0.51440581       0.00017803 
          0.48667963       0.33414547       0.44525352 
          0.33181316       0.48392967       0.55613196 
          0.51466602       0.51449826       0.33285016 
          0.48606911       0.33302078       0.77813923 
          0.33372441       0.48585304       0.88881448 
          0.51780955       0.51604132       0.66689283 
          0.48492421       0.66636920       0.11087926 
          0.33309203       0.81903843       0.22194322 
          0.51437597       0.84812776       0.00023961 
          0.48608167       0.66628575       0.44453233 
          0.33329741       0.81920006       0.55560679 
          0.51373141       0.84705602       0.33340275 
          0.48676299       0.66678413       0.77829924 
          0.33341055       0.81904792       0.88916965 
          0.51398520       0.84725384       0.66692573 
          0.81536024       0.99830531       0.11087463 
          0.66642201       0.15238240       0.22206545 
          0.84634347       0.18000160       0.99952666 
          0.81829505       0.99933791       0.44471044 
          0.66666722       0.15256547       0.55550392 
          0.84700614       0.17999369       0.33317859 
          0.81899284       0.99988884       0.77802966 
          0.66649355       0.15287222       0.88851149 
          0.84755430       0.18095599       0.66676085 
          0.81881343       0.33301568       0.11087000 
          0.66678267       0.48581397       0.22176225 
          0.84783398       0.51431979       0.00018496 
          0.81930105       0.33323526       0.44421764 
          0.66837639       0.48662773       0.55542834 
          0.84762784       0.51422998       0.33291540 
          0.81894829       0.33349445       0.77801995 
          0.66698189       0.48601774       0.88939202 
          0.84845910       0.51476766       0.66688187 
          0.81919903       0.66659046       0.11092732 
          0.66514457       0.81810743       0.22190593 
          0.84777321       0.84737778       0.00011574 
          0.81935837       0.66733434       0.44373144 
          0.66644110       0.81895105       0.55594238 
          0.84701296       0.84784765       0.33202902 
          0.81942822       0.66678298       0.77816901 
          0.66657224       0.81968830       0.88960089 
          0.84752511       0.84743474       0.66689527 
          0.13489834       0.09589595       0.07696680 
          0.23765427       0.04003445       0.18851672 
          0.29717938       0.19984376       0.30028722 
          0.03936759       0.23793078       0.14496852 
          0.10192797       0.14149232       0.25550265 
          0.19847293       0.29434983       0.03382277 
          0.13575535       0.09630811       0.40947379 
          0.23789980       0.03971391       0.52104769 
          0.29349305       0.19774309       0.63264800 
          0.03645373       0.23515549       0.47674723 
          0.09560299       0.13574535       0.58944734 
          0.20099685       0.29580655       0.36960220 
          0.13422821       0.09524636       0.74328815 
          0.23746003       0.03958954       0.85475360 
          0.29414479       0.19830250       0.96611809 
          0.03901126       0.23772968       0.81279050 
          0.09580291       0.13495152       0.92311923 
          0.19822099       0.29370206       0.70167402 
          0.13579793       0.42974261       0.07661396 
          0.23756363       0.37259594       0.18783353 
          0.29369878       0.53127050       0.29908398 
          0.03867927       0.57124156       0.14445066 
          0.09637373       0.46964157       0.25481205 
          0.19843136       0.62789184       0.03382496 
          0.13161951       0.42721013       0.40803865 
          0.23044672       0.37324401       0.52343493 
          0.29441914       0.53279266       0.63274557 
          0.03935077       0.57103883       0.47875639 
          0.09574161       0.46841817       0.58998799 
          0.19832572       0.62703782       0.36769611 
          0.13501827       0.42889338       0.74380920 
          0.23752074       0.37251242       0.85519469 
          0.29469914       0.53247717       0.96534862 
          0.03903586       0.57089833       0.81244583 
          0.09593003       0.46835704       0.92304959 
          0.19782195       0.62717627       0.70132263 
          0.13537603       0.76314221       0.07699529 
          0.23731133       0.70579505       0.18770382 
          0.29391410       0.86486061       0.29884445 
          0.03969587       0.90409396       0.14480770 
          0.09572813       0.80189385       0.25623812 
          0.19925144       0.96173504       0.03437221 
          0.13491616       0.76221397       0.40984226 
          0.23768090       0.70609812       0.52112110 
          0.29382157       0.86495688       0.63238776 
          0.03968981       0.90508377       0.47876729 
          0.09549811       0.80174555       0.58997771 
          0.19848344       0.96071097       0.36755297 
          0.13493036       0.76241347       0.74379216 
          0.23749323       0.70582459       0.85505203 
          0.29448397       0.86518198       0.96606715 
          0.03922834       0.90420724       0.81226465 
          0.09627517       0.80231661       0.92341404 
          0.19822350       0.96063182       0.70118868 
          0.46819386       0.09617838       0.07696018 
          0.57043162       0.03922713       0.18800716 
          0.62786178       0.19855428       0.29915342 
          0.37255324       0.23763525       0.14519916 
          0.43017114       0.13555398       0.25604150 
          0.53164280       0.29437063       0.03391829 
          0.46843882       0.09566239       0.40990282 
          0.57093568       0.03938431       0.52126989 
          0.62729151       0.19829279       0.63239571 
          0.37350398       0.23801318       0.47910483 
          0.42876600       0.13464300       0.59021335 
          0.53212498       0.29426052       0.36820790 
          0.46821719       0.09561675       0.74372968 
          0.57065503       0.03937823       0.85485138 
          0.62754672       0.19824878       0.96596312 
          0.37253846       0.23792725       0.81227297 
          0.42933106       0.13533400       0.92298898 
          0.53166056       0.29385863       0.70122833 
          0.46826663       0.42922655       0.07695163 
          0.57086329       0.37256610       0.18777239 
          0.62781264       0.53210628       0.29844460 
          0.37152015       0.57055350       0.14475768 
          0.42938216       0.46912183       0.25607148 
          0.53141121       0.62751929       0.03418464 
          0.46917847       0.42926903       0.40950459 
          0.57320315       0.37329128       0.52113628 
          0.63245674       0.53500293       0.63318685 
          0.37318635       0.56933807       0.47876632 
          0.53232050       0.62754267       0.36771149 
          0.47057887       0.43068415       0.74445320 
          0.57107447       0.37280282       0.85505393 
          0.62766004       0.53179518       0.96623834 
          0.37329306       0.57013277       0.81137703 
          0.42940572       0.46835031       0.92317547 
          0.53670572       0.62942530       0.70316191 
          0.46812126       0.76256875       0.07679769 
          0.56923614       0.70455696       0.18826190 
          0.62690317       0.86457937       0.29904552 
          0.37224178       0.90421097       0.14509255 
          0.42874713       0.80154208       0.25640884 
          0.53121366       0.96118604       0.03406732 
          0.46784828       0.76150448       0.41015244 
          0.57071301       0.70557342       0.52171163 
          0.62730037       0.86513871       0.63259306 
          0.37265380       0.90433803       0.47881288 
          0.42891929       0.80166387       0.59004082 
          0.53146051       0.96023015       0.36783864 
          0.46832380       0.76169386       0.74346419 
          0.57001113       0.70643789       0.85650020 
          0.62806465       0.86621964       0.96645876 
          0.37223736       0.90401319       0.81221130 
          0.42960878       0.80212177       0.92308904 
          0.53128858       0.96030754       0.70136289 
          0.79639848       0.09277323       0.07472987 
          0.95980516       0.19613814       0.29859994 
          0.70553837       0.23747864       0.14518300 
          0.76218130       0.13461173       0.25607805 
          0.86440470       0.29331586       0.03416166 
          0.80093072       0.09499728       0.41004597 
          0.90303854       0.03834223       0.52185551 
          0.96069310       0.19876743       0.63192621 
          0.70607717       0.23766004       0.47864224 
          0.76234710       0.13518877       0.58997516 
          0.86521997       0.29339958       0.36761752 
          0.80175412       0.09560200       0.74345034 
          0.90403818       0.03913051       0.85495172 
          0.96007309       0.19708373       0.96676622 
          0.70508524       0.23816705       0.81176816 
          0.76341700       0.13643941       0.92117545 
          0.86489286       0.29395410       0.70141411 
          0.80172905       0.42914962       0.07695887 
          0.90413057       0.37252531       0.18760074 
          0.96078353       0.53159913       0.29855003 
          0.70586611       0.57072070       0.14473304 
          0.76258088       0.46849283       0.25598896 
          0.86506850       0.62763668       0.03388271 
          0.80173955       0.42867007       0.40944403 
          0.90420507       0.37294804       0.52125669 
          0.96164587       0.53216166       0.63276764 
          0.70648463       0.57144102       0.47842531 
          0.76413292       0.46901795       0.58950350 
          0.86515296       0.62733565       0.36730182 
          0.80210694       0.42954090       0.74362590 
          0.90380701       0.37257811       0.85509810 
          0.96103230       0.53158696       0.96625642 
          0.70622349       0.57103897       0.81250074 
          0.76265737       0.46832719       0.92332448 
          0.86567053       0.62774364       0.70144498 
          0.80184477       0.76258637       0.07698467 
          0.90438537       0.70573681       0.18764490 
          0.96023915       0.86461184       0.29858418 
          0.70063939       0.90220337       0.14407820 
          0.76058883       0.80031361       0.25607225 
          0.86329511       0.96069163       0.03342708 
          0.80154237       0.76257890       0.40908155 
          0.90451406       0.70676095       0.52061172 
          0.96066948       0.86514693       0.63235875 
          0.70501487       0.90374882       0.47891093 
          0.76230703       0.80172210       0.59009805 
          0.86427771       0.96032123       0.36789359 
          0.80199192       0.76247711       0.74386712 
          0.90423771       0.70614057       0.85533154 
          0.96120885       0.86553681       0.96615375 
          0.70571213       0.90418651       0.81233462 
          0.76252209       0.80208326       0.92337647 
          0.86486512       0.96049244       0.70133782 
          0.42930801       0.45960330       0.58772219 
          0.90364668       0.02999928       0.19013714 
  
 
 
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          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.50000000       0.50000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.00000000       0.44444440       0.00000000 
          0.00000000       0.38888890       0.00000000 
          0.00000000       0.33333330       0.00000000 
          0.00000000       0.27777780       0.00000000 
          0.00000000       0.22222220       0.00000000 
          0.00000000       0.16666670       0.00000000 
          0.00000000       0.11111110       0.00000000 
          0.00000000       0.05555560       0.00000000 
          0.00000000       0.00000000       0.00000000 
          0.05555560       0.00000000       0.00000000 
          0.11111110       0.00000000       0.00000000 
          0.16666670       0.00000000       0.00000000 
          0.22222220       0.00000000       0.00000000 
          0.27777780       0.00000000       0.00000000 
          0.33333330       0.00000000       0.00000000 
          0.38888890       0.00000000       0.00000000 
          0.44444440       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.45833330       0.00000000       0.04166670 
          0.41666670       0.00000000       0.08333330 
          0.37500000       0.00000000       0.12500000 
          0.33333330       0.00000000       0.16666670 
          0.29166670       0.00000000       0.20833330 
          0.25000000       0.00000000       0.25000000 
          0.20833330       0.00000000       0.29166670 
          0.16666670       0.00000000       0.33333330 
          0.12500000       0.00000000       0.37500000 
          0.08333330       0.00000000       0.41666670 
          0.04166670       0.00000000       0.45833330 
          0.00000000       0.00000000       0.50000000 
          0.00000000       0.00000000       0.42857140 
          0.00000000       0.00000000       0.35714290 
          0.00000000       0.00000000       0.28571430 
          0.00000000       0.00000000       0.21428570 
          0.00000000       0.00000000       0.14285710 
          0.00000000       0.00000000       0.07142860 
          0.00000000       0.00000000       0.00000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
          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 
          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 
          0.00000000 
          0.00000000 
          0.00000000 
          0.00000000 
          0.00000000 
          0.00000000 
          0.00000000 
          0.00000000 
          0.00000000 
          0.00000000 
          0.00000000 
          0.00000000 
  
 
 
  
   Si81N2O160  Meta-GGA MBJLDA GPU
    F  
  
  
   normal
       400.00000000
       627.11200000
         0.00001000
       53
       10
     1164
       -1
       -1
      1294.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         1
         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      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      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  
   
   
     T  
     F  
   
   
       300
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000000
           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
   
  
  
       72
       72
       80
      144
      144
      160
    F  
  
  
        0
       -1
        0
        0
         0.00000000
         0.00010000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.73000000      0.75000000
      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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000     14.00100000
         0.00000000      0.00000000      0.00000000
         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
         7.12152998
         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
      300
        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
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
       243 
         3 
  
   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
    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
    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
    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
    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
    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
    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
    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
    O    2
    O    2
    O    2
    O    2
    O    2
    N    3
    N    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      81Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
     160O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
          14.43600000       0.00000000       0.00000000 
          -7.21800000      12.50194273       0.00000000 
           0.00000000       0.00000000      15.98100000 
   
      2884.21964114 
   
           0.06927127       0.03999378       0.00000000 
           0.00000000       0.07998757       0.00000000 
           0.00000000       0.00000000       0.06257431 
   
  
  
          0.15293676       0.00051923       0.11133101 
          0.00146942       0.15171548       0.22168938 
          0.18083416       0.18092267       0.00005415 
          0.15284255       0.00051767       0.44418001 
          0.99916438       0.15206644       0.55505642 
          0.18403892       0.18336946       0.33394886 
          0.15229081       0.00003659       0.77786740 
          0.99969436       0.15224549       0.88943669 
          0.18037726       0.18067254       0.66661435 
          0.15276042       0.33364720       0.11075771 
          0.99979769       0.48610801       0.22129429 
          0.18141349       0.51478794       0.99970403 
          0.14979056       0.33271301       0.44416459 
          0.00015496       0.48599524       0.55561885 
          0.18018758       0.51400489       0.33248145 
          0.15233980       0.33317957       0.77836397 
          0.99992445       0.48566481       0.88921993 
          0.18065948       0.51412227       0.66698965 
          0.15233454       0.66689782       0.11073301 
          0.99992678       0.81918823       0.22185062 
          0.18152111       0.84835881       0.00024565 
          0.15247913       0.66666253       0.44433335 
          0.00013231       0.81963629       0.55536861 
          0.18077117       0.84753665       0.33312095 
          0.15227238       0.66663990       0.77819537 
          0.00029197       0.81937330       0.88925025 
          0.18066468       0.84743426       0.66680890 
          0.48542986       0.00023381       0.11108020 
          0.33417991       0.15309212       0.22248697 
          0.51435354       0.18111231       0.99999233 
          0.48577206       0.00003163       0.44445499 
          0.33350100       0.15274102       0.55568744 
          0.51466394       0.18137579       0.33342245 
          0.48544839       0.99977661       0.77805110 
          0.33329643       0.15259361       0.88913703 
          0.51411654       0.18061476       0.66680236 
          0.48572245       0.33338567       0.11093644 
          0.33314143       0.48588103       0.22196820 
          0.51432038       0.51440581       0.00017803 
          0.48667963       0.33414547       0.44525352 
          0.33181316       0.48392967       0.55613196 
          0.51466602       0.51449826       0.33285016 
          0.48606911       0.33302078       0.77813923 
          0.33372441       0.48585304       0.88881448 
          0.51780955       0.51604132       0.66689283 
          0.48492421       0.66636920       0.11087926 
          0.33309203       0.81903843       0.22194322 
          0.51437597       0.84812776       0.00023961 
          0.48608167       0.66628575       0.44453233 
          0.33329741       0.81920006       0.55560679 
          0.51373141       0.84705602       0.33340275 
          0.48676299       0.66678413       0.77829924 
          0.33341055       0.81904792       0.88916965 
          0.51398520       0.84725384       0.66692573 
          0.81536024       0.99830531       0.11087463 
          0.66642201       0.15238240       0.22206545 
          0.84634347       0.18000160       0.99952666 
          0.81829505       0.99933791       0.44471044 
          0.66666722       0.15256547       0.55550392 
          0.84700614       0.17999369       0.33317859 
          0.81899284       0.99988884       0.77802966 
          0.66649355       0.15287222       0.88851149 
          0.84755430       0.18095599       0.66676085 
          0.81881343       0.33301568       0.11087000 
          0.66678267       0.48581397       0.22176225 
          0.84783398       0.51431979       0.00018496 
          0.81930105       0.33323526       0.44421764 
          0.66837639       0.48662773       0.55542834 
          0.84762784       0.51422998       0.33291540 
          0.81894829       0.33349445       0.77801995 
          0.66698189       0.48601774       0.88939202 
          0.84845910       0.51476766       0.66688187 
          0.81919903       0.66659046       0.11092732 
          0.66514457       0.81810743       0.22190593 
          0.84777321       0.84737778       0.00011574 
          0.81935837       0.66733434       0.44373144 
          0.66644110       0.81895105       0.55594238 
          0.84701296       0.84784765       0.33202902 
          0.81942822       0.66678298       0.77816901 
          0.66657224       0.81968830       0.88960089 
          0.84752511       0.84743474       0.66689527 
          0.13489834       0.09589595       0.07696680 
          0.23765427       0.04003445       0.18851672 
          0.29717938       0.19984376       0.30028722 
          0.03936759       0.23793078       0.14496852 
          0.10192797       0.14149232       0.25550265 
          0.19847293       0.29434983       0.03382277 
          0.13575535       0.09630811       0.40947379 
          0.23789980       0.03971391       0.52104769 
          0.29349305       0.19774309       0.63264800 
          0.03645373       0.23515549       0.47674723 
          0.09560299       0.13574535       0.58944734 
          0.20099685       0.29580655       0.36960220 
          0.13422821       0.09524636       0.74328815 
          0.23746003       0.03958954       0.85475360 
          0.29414479       0.19830250       0.96611809 
          0.03901126       0.23772968       0.81279050 
          0.09580291       0.13495152       0.92311923 
          0.19822099       0.29370206       0.70167402 
          0.13579793       0.42974261       0.07661396 
          0.23756363       0.37259594       0.18783353 
          0.29369878       0.53127050       0.29908398 
          0.03867927       0.57124156       0.14445066 
          0.09637373       0.46964157       0.25481205 
          0.19843136       0.62789184       0.03382496 
          0.13161951       0.42721013       0.40803865 
          0.23044672       0.37324401       0.52343493 
          0.29441914       0.53279266       0.63274557 
          0.03935077       0.57103883       0.47875639 
          0.09574161       0.46841817       0.58998799 
          0.19832572       0.62703782       0.36769611 
          0.13501827       0.42889338       0.74380920 
          0.23752074       0.37251242       0.85519469 
          0.29469914       0.53247717       0.96534862 
          0.03903586       0.57089833       0.81244583 
          0.09593003       0.46835704       0.92304959 
          0.19782195       0.62717627       0.70132263 
          0.13537603       0.76314221       0.07699529 
          0.23731133       0.70579505       0.18770382 
          0.29391410       0.86486061       0.29884445 
          0.03969587       0.90409396       0.14480770 
          0.09572813       0.80189385       0.25623812 
          0.19925144       0.96173504       0.03437221 
          0.13491616       0.76221397       0.40984226 
          0.23768090       0.70609812       0.52112110 
          0.29382157       0.86495688       0.63238776 
          0.03968981       0.90508377       0.47876729 
          0.09549811       0.80174555       0.58997771 
          0.19848344       0.96071097       0.36755297 
          0.13493036       0.76241347       0.74379216 
          0.23749323       0.70582459       0.85505203 
          0.29448397       0.86518198       0.96606715 
          0.03922834       0.90420724       0.81226465 
          0.09627517       0.80231661       0.92341404 
          0.19822350       0.96063182       0.70118868 
          0.46819386       0.09617838       0.07696018 
          0.57043162       0.03922713       0.18800716 
          0.62786178       0.19855428       0.29915342 
          0.37255324       0.23763525       0.14519916 
          0.43017114       0.13555398       0.25604150 
          0.53164280       0.29437063       0.03391829 
          0.46843882       0.09566239       0.40990282 
          0.57093568       0.03938431       0.52126989 
          0.62729151       0.19829279       0.63239571 
          0.37350398       0.23801318       0.47910483 
          0.42876600       0.13464300       0.59021335 
          0.53212498       0.29426052       0.36820790 
          0.46821719       0.09561675       0.74372968 
          0.57065503       0.03937823       0.85485138 
          0.62754672       0.19824878       0.96596312 
          0.37253846       0.23792725       0.81227297 
          0.42933106       0.13533400       0.92298898 
          0.53166056       0.29385863       0.70122833 
          0.46826663       0.42922655       0.07695163 
          0.57086329       0.37256610       0.18777239 
          0.62781264       0.53210628       0.29844460 
          0.37152015       0.57055350       0.14475768 
          0.42938216       0.46912183       0.25607148 
          0.53141121       0.62751929       0.03418464 
          0.46917847       0.42926903       0.40950459 
          0.57320315       0.37329128       0.52113628 
          0.63245674       0.53500293       0.63318685 
          0.37318635       0.56933807       0.47876632 
          0.53232050       0.62754267       0.36771149 
          0.47057887       0.43068415       0.74445320 
          0.57107447       0.37280282       0.85505393 
          0.62766004       0.53179518       0.96623834 
          0.37329306       0.57013277       0.81137703 
          0.42940572       0.46835031       0.92317547 
          0.53670572       0.62942530       0.70316191 
          0.46812126       0.76256875       0.07679769 
          0.56923614       0.70455696       0.18826190 
          0.62690317       0.86457937       0.29904552 
          0.37224178       0.90421097       0.14509255 
          0.42874713       0.80154208       0.25640884 
          0.53121366       0.96118604       0.03406732 
          0.46784828       0.76150448       0.41015244 
          0.57071301       0.70557342       0.52171163 
          0.62730037       0.86513871       0.63259306 
          0.37265380       0.90433803       0.47881288 
          0.42891929       0.80166387       0.59004082 
          0.53146051       0.96023015       0.36783864 
          0.46832380       0.76169386       0.74346419 
          0.57001113       0.70643789       0.85650020 
          0.62806465       0.86621964       0.96645876 
          0.37223736       0.90401319       0.81221130 
          0.42960878       0.80212177       0.92308904 
          0.53128858       0.96030754       0.70136289 
          0.79639848       0.09277323       0.07472987 
          0.95980516       0.19613814       0.29859994 
          0.70553837       0.23747864       0.14518300 
          0.76218130       0.13461173       0.25607805 
          0.86440470       0.29331586       0.03416166 
          0.80093072       0.09499728       0.41004597 
          0.90303854       0.03834223       0.52185551 
          0.96069310       0.19876743       0.63192621 
          0.70607717       0.23766004       0.47864224 
          0.76234710       0.13518877       0.58997516 
          0.86521997       0.29339958       0.36761752 
          0.80175412       0.09560200       0.74345034 
          0.90403818       0.03913051       0.85495172 
          0.96007309       0.19708373       0.96676622 
          0.70508524       0.23816705       0.81176816 
          0.76341700       0.13643941       0.92117545 
          0.86489286       0.29395410       0.70141411 
          0.80172905       0.42914962       0.07695887 
          0.90413057       0.37252531       0.18760074 
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          0.90420507       0.37294804       0.52125669 
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          0.86515296       0.62733565       0.36730182 
          0.80210694       0.42954090       0.74362590 
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          0.76265737       0.46832719       0.92332448 
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          0.90438537       0.70573681       0.18764490 
          0.96023915       0.86461184       0.29858418 
          0.70063939       0.90220337       0.14407820 
          0.76058883       0.80031361       0.25607225 
          0.86329511       0.96069163       0.03342708 
          0.80154237       0.76257890       0.40908155 
          0.90451406       0.70676095       0.52061172 
          0.96066948       0.86514693       0.63235875 
          0.70501487       0.90374882       0.47891093 
          0.76230703       0.80172210       0.59009805 
          0.86427771       0.96032123       0.36789359 
          0.80199192       0.76247711       0.74386712 
          0.90423771       0.70614057       0.85533154 
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          0.70571213       0.90418651       0.81233462 
          0.76252209       0.80208326       0.92337647 
          0.86486512       0.96049244       0.70133782 
          0.42930801       0.45960330       0.58772219 
          0.90364668       0.02999928       0.19013714 
  
 
 
  
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