model_name=EAM_Dynamo_FarkasJones_1996_NbTiAl__MO_042691367780_000 a1=[1, 0, 0] a2=[0, 1, 0] a3=[0, 0, 1] species=Al theta_min=0.0 theta_max=90.0 max_denominator=15 short_name=fcc cutoff_distance=0.5 x_repeat=1 z_repeat=1 min_cell_height=10.0 offset_top=[0.0, 0.0, 0.0] offset_bottom=[0.0, 0.0, 0.0] a=3.869337007403374 cohesive_energy=3.206600283772908 mass=26.981538 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.010795734597995687 Energy: 0.010795734594254638 Energy: 0.010795734598512744 Energy: 0.010795734599607684 Energy: 0.010795734597448217 Energy: 0.010795734596383692 Energy: 0.010795734597995687 Energy: 0.010795734596931162 Energy: 0.010795734593707166 Energy: 0.010795734597995687 Energy: 0.010795734596931162 Energy: 0.010795734596931162 Energy: 0.010795734596931162 Energy: 0.010795734596931162 Energy: 0.010795734594771693 Energy: 0.010795734596931162 Energy: 0.010795734596931162 Energy: 0.010795734596383692 Energy: 0.010795734595866633 Energy: 0.010795734595319163 Energy: 0.010795734596383692 Energy: 0.010795734597448217 Energy: 0.010795734595319163 Energy: 0.010795734596383692 Energy: 0.010795734596931162 Energy: 0.010795734595866633 Energy: 0.010795734596931162 Energy: 0.010795734597995687 Energy: 0.010795734597448217 Energy: 0.010795734596931162 minimum gb energy = 0.010795734593707166 eV minimum distance = 2.73592343033532 Angstroms sigma value = 1 ======================================== theta = 7.628149668580709 ======================================== Energy: 0.6453600003864315 Energy: 0.560890993512716 Energy: 0.5608910171612107 Energy: 0.5899674259232184 Energy: 0.5608910282933529 Energy: 0.5608911206253857 Energy: 0.5929137346810875 Energy: 0.5660397551162097 Energy: 0.5660406663462832 Energy: 0.5998004112227012 Energy: 0.5867102247978274 Energy: 0.5867101933817199 Energy: 0.6018065427689463 Energy: 0.5609494459567844 Energy: 0.5609494693593252 Energy: 0.5450406818714163 Energy: 0.5713623821283453 Energy: 0.5713611384496389 Energy: 0.592172018512946 Energy: 0.5608910109489526 Energy: 0.5608909538207408 Energy: 0.5991045688918439 Energy: 0.5958760996070389 Energy: 0.5958750765824427 Energy: 0.6018227227404581 Energy: 0.5549915284685271 Energy: 0.5549944102600636 Energy: 0.5991045697538799 Energy: 0.5713615872204737 Energy: 0.5713615777074245 minimum gb energy = 0.5450406818714163 eV minimum distance = 2.53015190870973 Angstroms sigma value = 113 ======================================== theta = 8.171233559949753 ======================================== Energy: 0.667900047211923 Energy: 0.5858658554045295 Energy: 0.5858734363251578 Energy: 0.5684103987087641 Energy: 0.5882596254404269 Energy: 0.5882596254442406 Energy: 0.593938789227901 Energy: 0.5858728028954556 Energy: 0.585874663542732 Energy: 0.6050314638869957 Energy: 0.5882595767453628 Energy: 0.5882596430016824 Energy: 0.5651532133376276 Energy: 0.5859275636519955 Energy: 0.5859276054935028 Energy: 0.6274252999555985 Energy: 0.588259592252597 Energy: 0.5882596128163533 Energy: 0.5721566044969051 Energy: 0.5859282935744871 Energy: 0.5859283928230533 Energy: 0.5763560816748075 Energy: 0.588259618089747 Energy: 0.5882596144357649 Energy: 0.6081998279800547 Energy: 0.5859280298597994 Energy: 0.5859284644808784 Energy: 0.5781947521223165 Energy: 0.6002672471254272 Energy: 0.6002460810811722 minimum gb energy = 0.5651532133376276 eV minimum distance = 2.52631181035076 Angstroms sigma value = 197 ======================================== theta = 8.797410709991064 ======================================== Energy: 0.6924912379743823 Energy: 0.6025398230424319 Energy: 0.6025520390729616 Energy: 0.6103194405062089 Energy: 0.6025399398580874 Energy: 0.6025422887158943 Energy: 0.6378795966917458 Energy: 0.6327951709946864 Energy: 0.6327951722750738 Energy: 0.631711360540573 Energy: 0.7241840074064108 Energy: 0.7241840059561263 Energy: 0.6424946960304047 Energy: 0.611861028571411 Energy: 0.6118614190318501 Energy: 0.5835073163580983 Energy: 0.6148744301760595 Energy: 0.6148697742319732 Energy: 0.6298258338449495 Energy: 0.6118627970513921 Energy: 0.611875045212867 Energy: 0.6425413111298356 Energy: 0.6313877408394605 Energy: 0.6313878411969241 Energy: 0.6520444425101066 Energy: 0.6118613900710623 Energy: 0.6118617206803686 Energy: 0.6140949023590202 Energy: 0.6147557634860066 Energy: 0.6147549105824717 minimum gb energy = 0.5835073163580983 eV minimum distance = 2.52918052122326 Angstroms sigma value = 169 ======================================== theta = 9.527283381452357 ======================================== Energy: 0.7183646594838574 Energy: 0.63203513257272 Energy: 0.632035130792211 Energy: 0.6588379401042135 Energy: 0.7403170514710076 Energy: 0.7403170514838995 Energy: 0.6460733659482384 Energy: 0.6273742161142937 Energy: 0.6273725350403072 Energy: 0.6580502747405437 Energy: 0.6322396812512686 Energy: 0.6322375024988679 Energy: 0.6714623132533192 Energy: 0.7179519566364773 Energy: 0.7179519566591491 Energy: 0.6724914481170409 Energy: 0.6364840188951569 Energy: 0.6364840435556386 Energy: 0.6714622378010927 Energy: 0.7740167830809241 Energy: 0.7740167846503546 Energy: 0.6200928074933767 Energy: 0.6320351315604881 Energy: 0.6320351335525002 Energy: 0.6681707894181125 Energy: 0.6188674460810467 Energy: 0.6188674460481502 Energy: 0.6646363331155545 Energy: 0.6402312786695546 Energy: 0.6402312272263878 minimum gb energy = 0.6188674460481502 eV minimum distance = 2.52482511687809 Angstroms sigma value = 145 ======================================== theta = 10.388857815469612 ======================================== Energy: 0.7579586934996848 Energy: 0.6738272780849264 Energy: 0.6738272788958648 Energy: 0.7030820259684404 Energy: 0.6596225016394085 Energy: 0.6596225015720654 Energy: 0.6668905862886042 Energy: 0.6531251474291482 Energy: 0.6531251476093468 Energy: 0.6653836049951553 Energy: 0.674002021406294 Energy: 0.6740020979922366 Energy: 0.7012072864125137 Energy: 0.6938393313883686 Energy: 0.6938393314213243 Energy: 0.6353538857238982 Energy: 0.6730062138531314 Energy: 0.6730090692708601 Energy: 0.7012072850260848 Energy: 0.6568568220496732 Energy: 0.6568568339249027 Energy: 0.7012072833179857 Energy: 0.6653506788567751 Energy: 0.6653524926936379 Energy: 0.6500660263369307 Energy: 0.6568568513686479 Energy: 0.6568576523162507 Energy: 0.7032640482287783 Energy: 0.6921523806903865 Energy: 0.6921506206447877 minimum gb energy = 0.6353538857238982 eV minimum distance = 2.47108422411913 Angstroms sigma value = 61 ======================================== theta = 11.421186274999284 ======================================== Energy: 0.7735380022257213 Energy: 0.6879347657801322 Energy: 0.6879347551356203 Energy: 0.709174595786469 Energy: 0.6882021986271492 Energy: 0.6882021089583866 Energy: 0.7147051668868338 Energy: 0.6978459486044438 Energy: 0.6978459487066639 Energy: 0.7001295795963746 Energy: 0.6788848690115593 Energy: 0.678884826986715 Energy: 0.7235321337457494 Energy: 0.7034468404320435 Energy: 0.7034468578254003 Energy: 0.7235328749020957 Energy: 0.7108998051332455 Energy: 0.7108998171226212 Energy: 0.6858237885918634 Energy: 0.7111462260652386 Energy: 0.7111461992881237 Energy: 0.7013261280563899 Energy: 0.7030343042674869 Energy: 0.7030171034936554 Energy: 0.7147053072874936 Energy: 0.6978459494493691 Energy: 0.6978459489606159 Energy: 0.7235323694480945 Energy: 0.6882021239665453 Energy: 0.6882021161832252 minimum gb energy = 0.678884826986715 eV minimum distance = 2.5079825832095 Angstroms sigma value = 101 ======================================== theta = 12.68038349181982 ======================================== Energy: 0.7820129335387028 Energy: 0.724332955118773 Energy: 0.7243329550809935 Energy: 0.7306535659601132 Energy: 0.7243329550957721 Energy: 0.7243329610329652 Energy: 0.6861613460697262 Energy: 0.7243329724410993 Energy: 0.7243329552092184 Energy: 0.6944110681211629 Energy: 0.7243329550691706 Energy: 0.7243329551093685 Energy: 0.7099300433542407 Energy: 0.7243329554284257 Energy: 0.7243329552730082 Energy: 0.6911980561624417 Energy: 0.7244978312575823 Energy: 0.7244978311972854 Energy: 0.7480483117432191 Energy: 0.7244978311559589 Energy: 0.7244978311376336 Energy: 0.6859850264246072 Energy: 0.7244978311210813 Energy: 0.7244978311583234 Energy: 0.7294092630824978 Energy: 0.724497831273543 Energy: 0.7244978440951051 Energy: 0.7584987300946286 Energy: 0.7244978311423627 Energy: 0.7244978311577324 minimum gb energy = 0.6859850264246072 eV minimum distance = 2.50680008288936 Angstroms sigma value = 81 ======================================== theta = 14.250032697803595 ======================================== Energy: 0.7897356457032936 Energy: 0.7633748050934611 Energy: 0.7633748056615726 Energy: 0.7657920735536756 Energy: 0.7446167950981585 Energy: 0.744613319395358 Energy: 0.7836030170673464 Energy: 0.7534397627171571 Energy: 0.7534388888695012 Energy: 0.7934966163232037 Energy: 0.7698334938745596 Energy: 0.7698334976110157 Energy: 0.7726439425375125 Energy: 0.7734267790500915 Energy: 0.7734267683212217 Energy: 0.7726440429599188 Energy: 0.7735599841841071 Energy: 0.7735599965475952 Energy: 0.793496619374087 Energy: 0.7740852750001109 Energy: 0.7740775159326029 Energy: 0.7726443870882318 Energy: 0.7534451204603991 Energy: 0.7534325619545331 Energy: 0.7657922309752883 Energy: 0.7446123661204939 Energy: 0.7446128044161011 Energy: 0.7870915248546868 Energy: 0.7592037846798122 Energy: 0.7592037846811401 minimum gb energy = 0.7446123661204939 eV minimum distance = 2.50278920645105 Angstroms sigma value = 1 ======================================== theta = 15.18928673718289 ======================================== Energy: 0.8448926583032869 Energy: 0.7909169665251007 Energy: 0.7909154036611324 Energy: 0.8015233297278819 Energy: 0.7772569733111847 Energy: 0.7772456941859234 Energy: 0.7958230238604379 Energy: 0.7873531162665619 Energy: 0.7873537136253804 Energy: 0.7586151570186331 Energy: 0.7907151002610185 Energy: 0.790715090503924 Energy: 0.7879506344453708 Energy: 0.8235880891561269 Energy: 0.8235872781091528 Energy: 0.7864700036957104 Energy: 0.7846295021342704 Energy: 0.7846336815691002 Energy: 0.7915927120682285 Energy: 0.7907150482823084 Energy: 0.7907150879072202 Energy: 0.7890386857559409 Energy: 0.8128802228184647 Energy: 0.8128802254119848 Energy: 0.7384431410144232 Energy: 0.8002460104311631 Energy: 0.8002457101330588 Energy: 0.8042481498056889 Energy: 0.7948366693457609 Energy: 0.7948402343437212 minimum gb energy = 0.7384431410144232 eV minimum distance = 2.45885377685453 Angstroms sigma value = 229 ======================================== theta = 16.26020470831196 ======================================== Energy: 0.8328303216273418 Energy: 0.8027810602180319 Energy: 0.8027796944261513 Energy: 0.8170934842673812 Energy: 0.771734414715369 Energy: 0.7717344061881249 Energy: 0.7982773730778375 Energy: 0.8027832171523666 Energy: 0.8027797581477969 Energy: 0.7509846953276873 Energy: 0.8025515156415897 Energy: 0.8025456647559277 Energy: 0.7835696092343349 Energy: 0.8242298956196151 Energy: 0.8242302413342096 Energy: 0.7512472359440853 Energy: 0.8025471058900467 Energy: 0.8025529674807367 Energy: 0.7580288164341379 Energy: 0.8127325488750834 Energy: 0.8127326263338203 Energy: 0.747838558601401 Energy: 0.802764733412017 Energy: 0.8027625719291399 Energy: 0.7982773697203521 Energy: 0.811510099648766 Energy: 0.8115101003335732 Energy: 0.8170979409297434 Energy: 0.8025444668649837 Energy: 0.8025474120217159 minimum gb energy = 0.747838558601401 eV minimum distance = 2.48926667786143 Angstroms sigma value = 25 ======================================== theta = 17.49232452511042 ======================================== Energy: 0.8253328125517754 Energy: 0.8245690742840651 Energy: 0.8245713010604478 Energy: 0.7678216446818933 Energy: 0.8333303376049194 Energy: 0.8333333684850237 Energy: 0.7913049003209237 Energy: 0.8438300119098148 Energy: 0.843830169323809 Energy: 0.769624794409732 Energy: 0.8160401570563055 Energy: 0.8160416055573579 Energy: 0.816020299150857 Energy: 0.8232881831232344 Energy: 0.8232876399508976 Energy: 0.830701695580449 Energy: 0.8307139852025031 Energy: 0.8307260554364606 Energy: 0.796245894637944 Energy: 0.8102616489779595 Energy: 0.8102618218842677 Energy: 0.8102654544534392 Energy: 0.801633999442258 Energy: 0.8016409372958119 Energy: 0.8016668372880175 Energy: 0.8331075603203019 Energy: 0.8331113792829562 Energy: 0.7958588881297434 Energy: 0.8404364878767326 Energy: 0.8404364291411555 minimum gb energy = 0.7678216446818933 eV minimum distance = 2.45863161233618 Angstroms sigma value = 173 ======================================== theta = 18.924644416051233 ======================================== Energy: 0.8151898006657257 Energy: 0.8558876385854528 Energy: 0.8558875464338551 Energy: 0.791486999422697 Energy: 0.7914871933386399 Energy: 0.7914869762379015 Energy: 0.8729044312709746 Energy: 0.846711911272303 Energy: 0.8467169516703833 Energy: 0.862606444983334 Energy: 0.8552229059987883 Energy: 0.8552174375444592 Energy: 0.7914868799537373 Energy: 0.7914869657050366 Energy: 0.7914875282959327 Energy: 0.7914868976583516 Energy: 0.7924489012200187 Energy: 0.7924461155468385 Energy: 0.7867075241201312 Energy: 0.8346153591344756 Energy: 0.8346145319534655 Energy: 0.7933002435962383 Energy: 0.827623871073837 Energy: 0.827624020074228 Energy: 0.8556702985122926 Energy: 0.7925998487144211 Energy: 0.7925970026237238 Energy: 0.7914869284775948 Energy: 0.7911393488134729 Energy: 0.7911380122064113 minimum gb energy = 0.7867075241201312 eV minimum distance = 2.44434049517667 Angstroms sigma value = 9 ======================================== theta = 20.609692937532067 ======================================== Energy: 0.8938902051320873 Energy: 0.888457759796129 Energy: 0.8884695796275801 Energy: 0.8248018728568474 Energy: 0.8524553809099769 Energy: 0.8524416885659483 Energy: 0.8363648296804082 Energy: 0.8257460009590653 Energy: 0.8257460015237994 Energy: 0.8796606836215891 Energy: 0.8560002315490016 Energy: 0.856000296924267 Energy: 0.8249520538335304 Energy: 0.8257460017827165 Energy: 0.8257460017090045 Energy: 0.8662624475077112 Energy: 0.8249633705545385 Energy: 0.8249637609693142 Energy: 0.8192422817262129 Energy: 0.8158187382662259 Energy: 0.8158308156657529 Energy: 0.8850931330436812 Energy: 0.8192423119087239 Energy: 0.8192422877204163 Energy: 0.8249513439513497 Energy: 0.841093153294875 Energy: 0.8410926844626303 Energy: 0.9054909445411099 Energy: 0.8264798437229967 Energy: 0.8264796207595025 minimum gb energy = 0.8158187382662259 eV minimum distance = 2.43476865279944 Angstroms sigma value = 31 ======================================== theta = 22.619864948040426 ======================================== Energy: 0.8454211003369921 Energy: 0.8392473164986757 Energy: 0.839247313750417 Energy: 0.7970363703028644 Energy: 0.8388408909028363 Energy: 0.8388411050306246 Energy: 0.9358881917061231 Energy: 0.8811312380056344 Energy: 0.881171816005871 Energy: 0.851375242706066 Energy: 0.8150073956963728 Energy: 0.8150074363902637 Energy: 0.845422410195824 Energy: 0.8811327348612122 Energy: 0.8811313399597019 Energy: 0.8189109669035591 Energy: 0.838840796259612 Energy: 0.8388409740063323 Energy: 0.7915226762009427 Energy: 0.839252329665155 Energy: 0.8392531058567165 Energy: 0.791522356752771 Energy: 0.8201674799958809 Energy: 0.8201692137418019 Energy: 0.8463431542658602 Energy: 0.8811312793899958 Energy: 0.8811332319994378 Energy: 0.8463421023106893 Energy: 0.8811323365940464 Energy: 0.8811358329798387 minimum gb energy = 0.791522356752771 eV minimum distance = 2.44276484781009 Angstroms sigma value = 25 ======================================== theta = 24.189514154024202 ======================================== Energy: 0.8948872264053838 Energy: 0.8773096551285745 Energy: 0.8773096763704419 Energy: 0.8492457737512104 Energy: 0.8365756988830969 Energy: 0.8365756993438784 Energy: 0.8492456772338852 Energy: 0.8365757023548477 Energy: 0.8365756991353591 Energy: 0.8560833273483479 Energy: 0.85058687831491 Energy: 0.850586878094053 Energy: 0.8492455475302655 Energy: 0.8371854886296445 Energy: 0.8371875026691163 Energy: 0.8492458316320558 Energy: 0.8540114778187693 Energy: 0.8540120480919409 Energy: 0.8328028341895625 Energy: 0.8505868787569978 Energy: 0.8505868778070205 Energy: 0.8548789149337057 Energy: 0.841856070597731 Energy: 0.8418506735563548 Energy: 0.8492456571273342 Energy: 0.8497492599920932 Energy: 0.8497492591931265 Energy: 0.8169749185066866 Energy: 0.8505868781033998 Energy: 0.8505868783044415 minimum gb energy = 0.8169749185066866 eV minimum distance = 2.43777398127706 Angstroms sigma value = 205 ======================================== theta = 25.057615418303023 ======================================== Energy: 0.902932914010772 Energy: 0.8679116258903192 Energy: 0.8679112671553738 Energy: 0.8716207629919672 Energy: 0.8872220207562406 Energy: 0.8872257921994882 Energy: 0.8214826730347142 Energy: 0.8799173139896231 Energy: 0.879921628741941 Energy: 0.846878839796243 Energy: 0.8427308507019806 Energy: 0.842742349633824 Energy: 0.8340466601438907 Energy: 0.8254964059895457 Energy: 0.8254964133763976 Energy: 0.9490991845411246 Energy: 0.8468788241897195 Energy: 0.8468788241717203 Energy: 0.8538374978606957 Energy: 0.8488428867773579 Energy: 0.8488428868266576 Energy: 0.8256255710170163 Energy: 0.8488428858725416 Energy: 0.8488428776267951 Energy: 0.8859966589119254 Energy: 0.8468788322190534 Energy: 0.8468788329166412 Energy: 0.8254964110607288 Energy: 0.8449420473486533 Energy: 0.8449427747432309 minimum gb energy = 0.8214826730347142 eV minimum distance = 2.43032841474692 Angstroms sigma value = 85 ======================================== theta = 25.98923358383301 ======================================== Energy: 0.9147252569827489 Energy: 0.8664730094930133 Energy: 0.8664724822875175 Energy: 0.8361962308681412 Energy: 0.8664695409184346 Energy: 0.8664768110948651 Energy: 0.8361962420301902 Energy: 0.8727182879171154 Energy: 0.872711125752604 Energy: 0.8361963042943303 Energy: 0.8411074909282499 Energy: 0.8411063292192331 Energy: 0.8285479773348758 Energy: 0.9122190639102323 Energy: 0.9122144911700398 Energy: 0.8827445650492699 Energy: 0.8691016276651762 Energy: 0.8691016276900159 Energy: 0.9052608750798781 Energy: 0.850192288244884 Energy: 0.8501934234894601 Energy: 0.8951362477991166 Energy: 0.841112939118251 Energy: 0.8411072497281676 Energy: 0.8849475802112688 Energy: 0.8657181730914714 Energy: 0.8657165201021696 Energy: 0.8191950611862717 Energy: 0.8639895142667486 Energy: 0.8639873003468913 minimum gb energy = 0.8191950611862717 eV minimum distance = 2.42742023566143 Angstroms sigma value = 89 ======================================== theta = 28.072486935852957 ======================================== Energy: 0.8283507188386238 Energy: 0.835496470392901 Energy: 0.8354964692093784 Energy: 0.9212123520206238 Energy: 0.8046352673401541 Energy: 0.8046353843575865 Energy: 1.043142766443515 Energy: 0.8354964735502893 Energy: 0.8354964737903575 Energy: 0.8046377508492805 Energy: 0.8124009427810917 Energy: 0.8124073114145801 Energy: 0.9208821607634515 Energy: 0.8046362564049709 Energy: 0.8046353182214783 Energy: 0.8046352676438098 Energy: 0.854420438679965 Energy: 0.854420437266731 Energy: 0.9283400039812094 Energy: 0.8047708438945385 Energy: 0.804770786544028 Energy: 0.8046360237002487 Energy: 0.8544204380946953 Energy: 0.854420437243391 Energy: 0.8046382961987913 Energy: 0.8354964703539814 Energy: 0.8354964743600772 Energy: 0.812408310251293 Energy: 0.8046361345950241 Energy: 0.8046353202199822 minimum gb energy = 0.8046352673401541 eV minimum distance = 2.5073670207096 Angstroms sigma value = 17 ======================================== theta = 29.86283435627511 ======================================== Energy: 0.9043255420590222 Energy: 0.8592938384827149 Energy: 0.8592790824301666 Energy: 0.8366331706454805 Energy: 0.9370549920729294 Energy: 0.9370595126160957 Energy: 0.8882208941082168 Energy: 0.8798904783159014 Energy: 0.8798874811473593 Energy: 0.8563063848747057 Energy: 0.8675129227661624 Energy: 0.867512943927676 Energy: 0.8754514956062343 Energy: 0.9436647594730594 Energy: 0.9436659906031459 Energy: 0.9326619909000095 Energy: 0.8918661847919916 Energy: 0.8925688295636076 Energy: 0.8497686353027016 Energy: 0.8643472403838143 Energy: 0.864347208545543 Energy: 0.8253190995374858 Energy: 0.8445892894550486 Energy: 0.8445893004002958 Energy: 0.926367093451749 Energy: 0.8873191410848793 Energy: 0.8873199347536572 Energy: 0.8627460857197521 Energy: 0.8675130630152676 Energy: 0.867513046135573 minimum gb energy = 0.8253190995374858 eV minimum distance = 2.44455013023336 Angstroms sigma value = 241 ======================================== theta = 30.510237406115554 ======================================== Energy: 0.8357063354195206 Energy: 0.848764916372939 Energy: 0.8487649224384507 Energy: 0.8599401552182552 Energy: 0.9208496398128095 Energy: 0.9208577373728358 Energy: 0.9914176647837437 Energy: 0.8744332235450124 Energy: 0.8744332366511947 Energy: 0.8564149841598157 Energy: 0.8487658808630957 Energy: 0.8487656493723925 Energy: 0.8357041840343513 Energy: 0.8487658917486176 Energy: 0.8487660060687583 Energy: 0.948635753561734 Energy: 0.9738576333896228 Energy: 0.9738576343502487 Energy: 0.877712541036008 Energy: 0.9169765706766732 Energy: 0.9169781487900629 Energy: 0.8564113749765062 Energy: 0.8487658498011217 Energy: 0.8487658860829433 Energy: 0.8356952436753534 Energy: 0.8912881107156267 Energy: 0.8912870568356358 Energy: 0.9669565396540827 Energy: 0.8383307401880631 Energy: 0.8383281655323811 minimum gb energy = 0.8356952436753534 eV minimum distance = 2.42818359834737 Angstroms sigma value = 65 ======================================== theta = 31.890791801845708 ======================================== Energy: 0.8280811317859584 Energy: 0.8366774650349419 Energy: 0.8366728907975342 Energy: 0.8197611784574447 Energy: 0.8657985097126253 Energy: 0.8658000425617633 Energy: 0.8197611798722574 Energy: 0.8637206845687339 Energy: 0.863724776614384 Energy: 0.8859376323421226 Energy: 0.8583143584177809 Energy: 0.8583131461388231 Energy: 1.0678767649410454 Energy: 0.8280643112410844 Energy: 0.8280643579007274 Energy: 1.0307123970736993 Energy: 0.9265451189036479 Energy: 0.9265485715883908 Energy: 0.8197611787132278 Energy: 0.8637237833171311 Energy: 0.8637288337864087 Energy: 0.8763350496791682 Energy: 0.8797309307506751 Energy: 0.8797304212936832 Energy: 0.828066860758808 Energy: 0.836671439220801 Energy: 0.8366786956367458 Energy: 0.8197691192851086 Energy: 0.9479296548803252 Energy: 0.9479300945620914 minimum gb energy = 0.8197611784574447 eV minimum distance = 2.46245429315351 Angstroms sigma value = 53 ======================================== theta = 33.39848846798724 ======================================== Energy: 0.8323023877876445 Energy: 0.8287305345972523 Energy: 0.8287320561253745 Energy: 0.9856274248892956 Energy: 0.8795672377067815 Energy: 0.8795764084793635 Energy: 0.8864065775350768 Energy: 0.8728200751412588 Energy: 0.8728193706616177 Energy: 0.8114476265439224 Energy: 0.9360813778641613 Energy: 0.9360916694180932 Energy: 1.0782685065447226 Energy: 0.8822464125018926 Energy: 0.8822459700359538 Energy: 0.8114476751479895 Energy: 0.9434748603059656 Energy: 0.9434748627162576 Energy: 0.8795887613553758 Energy: 0.8728136768452667 Energy: 0.8728222165376116 Energy: 0.9049971392540177 Energy: 0.8795260555538313 Energy: 0.8795386180244729 Energy: 0.8323091609039919 Energy: 0.8287298446152541 Energy: 0.828730204150275 Energy: 1.0023435812385988 Energy: 0.8738441834164744 Energy: 0.8738452556024503 minimum gb energy = 0.8114476265439224 eV minimum distance = 2.49221482965254 Angstroms sigma value = 109 ======================================== theta = 34.20545793810475 ======================================== Energy: 0.9213566370216283 Energy: 0.8784744815356776 Energy: 0.8784744903271425 Energy: 0.8218498879387132 Energy: 0.8880696103330388 Energy: 0.8880696016820404 Energy: 0.8624118562550844 Energy: 0.880287931417454 Energy: 0.8802877308055489 Energy: 0.8610935827185878 Energy: 0.861621788624196 Energy: 0.8616217859924344 Energy: 1.039107892267408 Energy: 0.9213438899336092 Energy: 0.9213419120919778 Energy: 0.8610935475546962 Energy: 0.8616217858449196 Energy: 0.8616217864047105 Energy: 0.8624115763555574 Energy: 0.8802845500063764 Energy: 0.880286610978208 Energy: 0.8218501096213465 Energy: 0.8880695968114732 Energy: 0.8880695889208761 Energy: 0.9213578956405815 Energy: 0.8784744815187903 Energy: 0.8784744811289474 Energy: 0.8218502560175782 Energy: 0.8880695897658576 Energy: 0.8880695912698081 minimum gb energy = 0.8218498879387132 eV minimum distance = 2.42861043315692 Angstroms sigma value = 185 ======================================== theta = 36.86989764584402 ======================================== Energy: 0.7643497391601279 Energy: 0.7643527680623121 Energy: 0.7643556948690383 Energy: 0.9173751334107184 Energy: 0.7873905463519466 Energy: 0.7873903009956672 Energy: 0.7706966881367371 Energy: 0.809904741593311 Energy: 0.8099061046332208 Energy: 0.9393297783473419 Energy: 0.7873903102460095 Energy: 0.7873903186181634 Energy: 0.7643530190733492 Energy: 0.7643535331122144 Energy: 0.7643537918727502 Energy: 0.9173751944896433 Energy: 0.7873903868002328 Energy: 0.7873903249074452 Energy: 0.7643588011207069 Energy: 0.8099041677145992 Energy: 0.8099049032691971 Energy: 0.9393081774895939 Energy: 0.8146443193320664 Energy: 0.8146426523368205 Energy: 0.7643528472290366 Energy: 0.7643547000650753 Energy: 0.7643498900334289 Energy: 0.9173749789080158 Energy: 0.8174654289740616 Energy: 0.8174607547955453 minimum gb energy = 0.7643497391601279 eV minimum distance = 2.48478350786811 Angstroms sigma value = 9 ======================================== theta = 39.30764811610662 ======================================== Energy: 0.9112909945689063 Energy: 0.8892215968899304 Energy: 0.8892112886810996 Energy: 1.0667346537203042 Energy: 0.8659777538780387 Energy: 0.8659242919373793 Energy: 0.8844187703520248 Energy: 0.8894087606311228 Energy: 0.889412545561095 Energy: 0.8836854715897645 Energy: 0.8921878832629968 Energy: 0.8922088347388133 Energy: 0.8838971381824671 Energy: 0.8928469507851959 Energy: 0.8929290157839989 Energy: 0.8846658033046062 Energy: 0.884960823943905 Energy: 0.8849286301350123 Energy: 1.1091660737837383 Energy: 0.8925906644591612 Energy: 0.8925730038254637 Energy: 0.8921783061292163 Energy: 0.8875118946022208 Energy: 0.8875033032041793 Energy: 1.0781127219236635 Energy: 0.8908969789976141 Energy: 0.8908969824410405 Energy: 0.8846833435343565 Energy: 0.8852325486349208 Energy: 0.8852326130121771 minimum gb energy = 0.8659242919373793 eV minimum distance = 2.44076333578615 Angstroms sigma value = 221 ======================================== theta = 39.96621304379996 ======================================== Energy: 0.9340396802031382 Energy: 0.9121035000371108 Energy: 0.9120986666067049 Energy: 0.835239432657467 Energy: 0.8764548274976988 Energy: 0.8764721241254877 Energy: 0.8290852811156371 Energy: 0.8792094013733813 Energy: 0.8791883982345755 Energy: 0.8267023961619959 Energy: 0.9190502284085477 Energy: 0.9190502281146018 Energy: 0.9061460900503702 Energy: 0.9196179924072369 Energy: 0.9196212677967527 Energy: 0.9981348286458436 Energy: 0.9108234370543729 Energy: 0.910814042397688 Energy: 1.1174319690617438 Energy: 0.8290224135571258 Energy: 0.829031158820968 Energy: 1.0020675037635218 Energy: 0.8282408320471544 Energy: 0.8282667579924448 Energy: 1.0251466287350226 Energy: 0.8791838994159351 Energy: 0.8792681429514011 Energy: 0.9756184881400906 Energy: 0.888577976492106 Energy: 0.8885719921256369 minimum gb energy = 0.8267023961619959 eV minimum distance = 2.45760135009023 Angstroms sigma value = 137 ======================================== theta = 41.112090439166934 ======================================== Energy: 0.857107850222631 Energy: 0.9638741802242735 Energy: 0.9638776633350615 Energy: 1.085384386804372 Energy: 0.846789630913197 Energy: 0.8468155899571286 Energy: 0.9603844228676923 Energy: 1.004299807824059 Energy: 1.0042860180409932 Energy: 0.8471362574553071 Energy: 0.91821285742178 Energy: 0.9182095815930132 Energy: 0.9593518510990944 Energy: 0.9632509360838949 Energy: 0.9632483345457531 Energy: 0.8471618130517178 Energy: 0.8858720426104589 Energy: 0.8858548516543443 Energy: 1.1302807468916214 Energy: 1.005427853282998 Energy: 1.0054213229811986 Energy: 0.84715050606505 Energy: 0.9022360791138222 Energy: 0.9022351934692933 Energy: 0.9875678597807978 Energy: 0.8822521974674109 Energy: 0.8822362888937006 Energy: 0.8448672872659676 Energy: 0.8822384327399192 Energy: 0.8822345044452736 minimum gb energy = 0.8448672872659676 eV minimum distance = 2.45455224237182 Angstroms sigma value = 73 ======================================== theta = 42.075022050843636 ======================================== Energy: 0.9402669586778957 Energy: 0.9226885910048986 Energy: 0.922688507323106 Energy: 0.8901845174882046 Energy: 0.8992862222846453 Energy: 0.8993033392577238 Energy: 0.888598801225516 Energy: 0.8909583608154548 Energy: 0.8909616596649298 Energy: 0.8493893546285342 Energy: 0.9226883959613594 Energy: 0.922688373283483 Energy: 0.9291574551418701 Energy: 0.8968806902438219 Energy: 0.896881221437482 Energy: 0.8475608495505903 Energy: 0.8774798003420938 Energy: 0.8774797984931696 Energy: 0.8469000701992448 Energy: 0.9582069565602229 Energy: 0.9582339615803926 Energy: 0.8843135504615225 Energy: 0.8933489939552329 Energy: 0.8933601711540843 Energy: 0.8851752665323416 Energy: 0.877479820475695 Energy: 0.8774798189548105 Energy: 0.8469005409671205 Energy: 0.9574014527696261 Energy: 0.957403356824126 minimum gb energy = 0.8469000701992448 eV minimum distance = 2.43364503986931 Angstroms sigma value = 97 ======================================== theta = 43.60281897270362 ======================================== Energy: 0.9221064313995034 Energy: 0.9096680054217017 Energy: 0.9096650220606826 Energy: 0.8530628565741218 Energy: 0.8928248789199269 Energy: 0.8928253447061131 Energy: 0.8625354111585869 Energy: 0.9053355055503323 Energy: 0.9053401418343627 Energy: 0.852013064411744 Energy: 0.8911293891112397 Energy: 0.8911293894659525 Energy: 1.0880570854843243 Energy: 0.8463727235535697 Energy: 0.8463724880160249 Energy: 0.9665977221967403 Energy: 0.9038072114316839 Energy: 0.9038070734055109 Energy: 0.9136152869161122 Energy: 0.846922102582538 Energy: 0.8469235058033098 Energy: 0.9152059312512802 Energy: 0.9410576287602767 Energy: 0.9410537841117503 Energy: 0.9125390128044983 Energy: 0.9141923507723773 Energy: 0.9141836339227346 Energy: 0.8489116426489737 Energy: 0.8941930359623397 Energy: 0.8941965379488996 minimum gb energy = 0.8463724880160249 eV minimum distance = 2.45578848717901 Angstroms sigma value = 7 ======================================== theta = 45.23972989608085 ======================================== Energy: 0.8829642442727375 Energy: 0.867387419689462 Energy: 0.8674038998476217 Energy: 0.8477314334277445 Energy: 0.8767043005855752 Energy: 0.8766157349203767 Energy: 1.0312069737434284 Energy: 0.8570803080242002 Energy: 0.8570819658479137 Energy: 0.8650387609743384 Energy: 0.9063318319624516 Energy: 0.9063543285131676 Energy: 0.8477477630694906 Energy: 0.8886402605496531 Energy: 0.8887965626871613 Energy: 0.8570805251502616 Energy: 0.9488699697380097 Energy: 0.9488754105288789 Energy: 0.8788481424004468 Energy: 0.8689340486823179 Energy: 0.8689352474271502 Energy: 1.1063000763477482 Energy: 0.8592799824604322 Energy: 0.8592697616411814 Energy: 0.8761041171085555 Energy: 0.9485137392130318 Energy: 0.9484948011071461 Energy: 0.8570882412174015 Energy: 0.9498362597863476 Energy: 0.9498447551687462 minimum gb energy = 0.8477314334277445 eV minimum distance = 2.41693213611013 Angstroms sigma value = 169 ======================================== theta = 46.39718102729638 ======================================== Energy: 0.8806572810359398 Energy: 0.8733048224075554 Energy: 0.8733092936778212 Energy: 0.8839151906500885 Energy: 0.8706797228649894 Energy: 0.8706780221196155 Energy: 0.9498076420442982 Energy: 0.8756968894818112 Energy: 0.8756968591747495 Energy: 0.8429206073365978 Energy: 0.8677902493362224 Energy: 0.8678066710622979 Energy: 0.8753041417419992 Energy: 0.8910987274335694 Energy: 0.8911348132483231 Energy: 0.9750814906721728 Energy: 0.8478482556059208 Energy: 0.8478489579472986 Energy: 0.8429407555783777 Energy: 0.8733101285337111 Energy: 0.8733041074071375 Energy: 0.850035013475459 Energy: 0.9395431485431743 Energy: 0.9395603335297095 Energy: 1.0716347639802253 Energy: 0.8795038687589899 Energy: 0.8795049247026392 Energy: 0.8429378629223451 Energy: 0.8983304260244459 Energy: 0.8983128803016305 minimum gb energy = 0.8429206073365978 eV minimum distance = 2.44945770591196 Angstroms sigma value = 29 ======================================== theta = 47.92497794915637 ======================================== Energy: 0.8910977290852357 Energy: 0.8857303508768684 Energy: 0.8857116529536158 Energy: 0.8545430242295111 Energy: 0.9129707251829907 Energy: 0.9129750778393181 Energy: 0.9340411770077145 Energy: 0.8542234570307059 Energy: 0.8542154143175736 Energy: 0.8587260496205759 Energy: 0.9227767296515377 Energy: 0.922776716133119 Energy: 0.8542277644531606 Energy: 0.8627142259859943 Energy: 0.862714185875238 Energy: 0.924005128456723 Energy: 0.8637865789118886 Energy: 0.8638009196201668 Energy: 0.8701646370330611 Energy: 0.8680700410147846 Energy: 0.8680700409490681 Energy: 0.8542229659516809 Energy: 0.9392393897915373 Energy: 0.9392393888994734 Energy: 0.8914159556716702 Energy: 0.9325559649808417 Energy: 0.9325559578524837 Energy: 0.9024521456117851 Energy: 0.9350590810297328 Energy: 0.9350715579502034 minimum gb energy = 0.8542154143175736 eV minimum distance = 2.4246214941465 Angstroms sigma value = 97 ======================================== theta = 48.88790956083307 ======================================== Energy: 0.8758414505066427 Energy: 0.8810763580888625 Energy: 0.8810771627220261 Energy: 0.8587547239553321 Energy: 0.9315368949248649 Energy: 0.9315372069116347 Energy: 0.8711605522031252 Energy: 0.9245682266668792 Energy: 0.9245750918656754 Energy: 0.8599805310455113 Energy: 0.9218397201420694 Energy: 0.9218604170828879 Energy: 1.0206386229955053 Energy: 0.8498467190411851 Energy: 0.8498465537732697 Energy: 0.9289885862694308 Energy: 0.8666776520757341 Energy: 0.866664849263314 Energy: 0.8497992064297872 Energy: 0.8666900427122939 Energy: 0.8666804796230232 Energy: 0.8497902498955854 Energy: 0.8656697637453937 Energy: 0.8656700063499704 Energy: 0.8449740434011513 Energy: 0.979652452204832 Energy: 0.9796512906753844 Energy: 0.8497828515917148 Energy: 0.8706358556016479 Energy: 0.87062919927214 minimum gb energy = 0.8449740434011513 eV minimum distance = 2.44796121947129 Angstroms sigma value = 73 ======================================== theta = 49.55028113766384 ======================================== Energy: 0.8751255736777896 Energy: 0.8834593317022945 Energy: 0.8834593309074066 Energy: 0.8767812157938147 Energy: 0.8613001658701473 Energy: 0.8612909079145722 Energy: 0.8538912216780165 Energy: 0.923982258078815 Energy: 0.9239759613481834 Energy: 0.9947108438655231 Energy: 0.8514214660788816 Energy: 0.8514227079536498 Energy: 0.860347503941347 Energy: 0.9268719390560676 Energy: 0.9268719390093335 Energy: 0.8892446736927508 Energy: 0.8553144880956072 Energy: 0.8553090831865832 Energy: 0.8518918490070545 Energy: 0.9548958911342217 Energy: 0.9548899042149624 Energy: 0.8646885403849744 Energy: 0.8610035755185561 Energy: 0.8610188414099487 Energy: 0.8526837459596083 Energy: 0.869247661325628 Energy: 0.8692476868520803 Energy: 0.886855010259178 Energy: 0.8951974145485695 Energy: 0.8951629475874543 minimum gb energy = 0.8514214660788816 eV minimum distance = 2.45049201059287 Angstroms sigma value = 205 ======================================== theta = 50.033786956200046 ======================================== Energy: 0.8748047389925169 Energy: 0.8844541891120735 Energy: 0.8844866445790049 Energy: 0.8558492647111251 Energy: 0.8844542290193538 Energy: 0.8844541631059805 Energy: 0.848934981927383 Energy: 0.9226197797474828 Energy: 0.9226197696091958 Energy: 0.8484899430187203 Energy: 0.8915749058880529 Energy: 0.8915727869700046 Energy: 0.8493110277085218 Energy: 0.8511804912390661 Energy: 0.8511918194501736 Energy: 0.8725334581035555 Energy: 0.856379462568363 Energy: 0.8563727811720128 Energy: 0.9228789341242808 Energy: 0.8563873319331556 Energy: 0.8563907393381254 Energy: 0.9391778314034877 Energy: 0.8637450041733369 Energy: 0.8637449966488301 Energy: 0.867866829548347 Energy: 0.8637450055904294 Energy: 0.8637450540640595 Energy: 0.8933252536715005 Energy: 0.851181625039932 Energy: 0.8511626689684092 minimum gb energy = 0.8484899430187203 eV minimum distance = 2.45208674604775 Angstroms sigma value = 137 ======================================== theta = 53.13010235415598 ======================================== Energy: 0.8358558491891489 Energy: 0.843208665400954 Energy: 0.8432086967368507 Energy: 0.8099405043152067 Energy: 0.8358557375193184 Energy: 0.8358558292127881 Energy: 0.8348693826003433 Energy: 0.836356020225989 Energy: 0.8363560451917608 Energy: 0.8358557070886634 Energy: 0.8095661045836605 Energy: 0.8095660898680984 Energy: 0.8358556969358442 Energy: 0.8358558161746541 Energy: 0.8358556976714142 Energy: 0.8358557033555076 Energy: 0.8363560205435419 Energy: 0.8363560284455805 Energy: 0.8428285448573435 Energy: 0.8256270497362258 Energy: 0.8256270461378116 Energy: 0.8358557202447812 Energy: 0.8358557083049558 Energy: 0.8358556967630714 Energy: 0.8358557012401759 Energy: 0.8358557175199974 Energy: 0.8358557301137807 Energy: 0.8096200280148382 Energy: 0.8668039573535475 Energy: 0.866803501803506 minimum gb energy = 0.8095660898680984 eV minimum distance = 2.48556574482917 Angstroms sigma value = 5 ======================================== theta = 56.144973871705915 ======================================== Energy: 0.8620694482998865 Energy: 0.8733255665615155 Energy: 0.873310965728693 Energy: 0.8418582782331874 Energy: 0.9197969950763448 Energy: 0.9197970082330179 Energy: 0.8267743181022242 Energy: 0.8680786579330806 Energy: 0.8680756879990953 Energy: 0.830343811242859 Energy: 0.8316267927259582 Energy: 0.8316177360150951 Energy: 0.8681582860459226 Energy: 0.8251688070841182 Energy: 0.8251686316775072 Energy: 0.9236201257800147 Energy: 0.8281771126010714 Energy: 0.82816639134233 Energy: 0.8272272693519708 Energy: 0.8541685768870392 Energy: 0.8541685865648042 Energy: 0.8215712300823589 Energy: 0.8409534356067676 Energy: 0.8409761070218426 Energy: 0.8284381322211684 Energy: 0.8494733027951705 Energy: 0.8494732718522403 Energy: 0.8215848411359072 Energy: 0.950388148345925 Energy: 0.9503896325671124 minimum gb energy = 0.8215712300823589 eV minimum distance = 2.47176299795051 Angstroms sigma value = 289 ======================================== theta = 56.60151153201276 ======================================== Energy: 0.8493494126701703 Energy: 0.8798586881062503 Energy: 0.8798608399346451 Energy: 0.8317661413707863 Energy: 0.8272256446481787 Energy: 0.8272217590422594 Energy: 0.872043430395454 Energy: 0.8245604430363752 Energy: 0.824572808788906 Energy: 0.830112849692164 Energy: 0.8502824459492648 Energy: 0.8502895092206518 Energy: 0.822694634475763 Energy: 0.876879328950009 Energy: 0.8768283054059655 Energy: 0.8439732405987709 Energy: 0.8615044494420853 Energy: 0.861474727538386 Energy: 0.8181518782451084 Energy: 0.8842326254349151 Energy: 0.8842228314012157 Energy: 0.8280698283350627 Energy: 0.8997083105963177 Energy: 0.8997070265255132 Energy: 0.8425427904052706 Energy: 0.8378179834461406 Energy: 0.8378182587540273 Energy: 0.8568575764733043 Energy: 0.8290987095286948 Energy: 0.8290987093801135 minimum gb energy = 0.8181518782451084 eV minimum distance = 2.47072447414848 Angstroms sigma value = 109 ======================================== theta = 57.22091933193044 ======================================== Energy: 0.845024420626872 Energy: 0.8784790972874722 Energy: 0.8784878069051879 Energy: 0.8206997735354958 Energy: 0.8645465379350243 Energy: 0.8645464762672065 Energy: 0.827641746757131 Energy: 0.8621018069560735 Energy: 0.8621018068915827 Energy: 0.8328713903307439 Energy: 0.8862466351571363 Energy: 0.8862486113852893 Energy: 0.8251060593982181 Energy: 0.8760151546857894 Energy: 0.8760151546311247 Energy: 0.8997816533077907 Energy: 0.8251553535936728 Energy: 0.8251549488631869 Energy: 0.8189901453489217 Energy: 0.8299874697023131 Energy: 0.8299999456339721 Energy: 0.813044849423958 Energy: 0.8787184194858566 Energy: 0.8787214648868994 Energy: 0.8288243543102835 Energy: 0.8328709331644047 Energy: 0.8328670768752635 Energy: 0.8111067206279533 Energy: 0.8437948213999957 Energy: 0.8437896630046211 minimum gb energy = 0.8111067206279533 eV minimum distance = 2.44854296744134 Angstroms sigma value = 157 ======================================== theta = 58.10920819815429 ======================================== Energy: 0.8389759379515018 Energy: 0.8752981551144016 Energy: 0.8752983172617391 Energy: 0.8139948072648373 Energy: 0.8208826188710511 Energy: 0.8208827147245732 Energy: 0.8065812694275549 Energy: 0.8208831088112266 Energy: 0.8208827958086408 Energy: 0.8139956536459477 Energy: 0.8486870523703223 Energy: 0.8486732910696563 Energy: 0.9221896020980375 Energy: 0.8208281617449019 Energy: 0.8208398655079425 Energy: 0.9343294150946652 Energy: 0.8031606260430675 Energy: 0.8031580692490913 Energy: 0.8873802206421344 Energy: 0.8065790628027166 Energy: 0.8065845389417964 Energy: 0.8004661699703116 Energy: 0.8635471071183973 Energy: 0.8709489130389517 Energy: 0.8208582026464324 Energy: 0.8208831078627727 Energy: 0.8208829263762342 Energy: 0.8135776105007708 Energy: 0.8391447308230557 Energy: 0.8391447322330219 minimum gb energy = 0.8004661699703116 eV minimum distance = 2.44988211709329 Angstroms sigma value = 53 ======================================== theta = 59.48976259388444 ======================================== Energy: 0.837478470922045 Energy: 0.8547733450743461 Energy: 0.8547732991152875 Energy: 0.8318448058043688 Energy: 0.8199087286928964 Energy: 0.8199087863836211 Energy: 0.8076961614373651 Energy: 0.8702855036027004 Energy: 0.8702923776444208 Energy: 0.8772270370079948 Energy: 0.7983931362579323 Energy: 0.7983817960445347 Energy: 0.7927300803086275 Energy: 0.8994987841713552 Energy: 0.8994989295347825 Energy: 0.8361169175243477 Energy: 0.8162846211139531 Energy: 0.8162878464164322 Energy: 0.792731362490526 Energy: 0.876774261068677 Energy: 0.8767772751491936 Energy: 0.8161460585628223 Energy: 0.8505437205115925 Energy: 0.8505443009299405 Energy: 0.7983938639039369 Energy: 0.9320703246653533 Energy: 0.932071078597291 Energy: 0.8837321718285861 Energy: 0.8109959331647946 Energy: 0.8109812031838265 minimum gb energy = 0.7927300803086275 eV minimum distance = 2.44996502095557 Angstroms sigma value = 1 ======================================== theta = 60.512874327058526 ======================================== Energy: 0.8522169915874005 Energy: 0.8280961971655324 Energy: 0.8280961971096958 Energy: 0.8154348731842584 Energy: 0.8257290145439525 Energy: 0.8257504450243958 Energy: 0.7899961408803581 Energy: 0.8141552228737904 Energy: 0.8141198784120881 Energy: 0.8124466159957817 Energy: 0.8195765979947953 Energy: 0.8195717563282453 Energy: 0.8707610591123783 Energy: 0.8279734859500122 Energy: 0.8279734851793357 Energy: 0.7808901820964542 Energy: 0.9425179498476715 Energy: 0.9425179568323807 Energy: 0.8600636260953543 Energy: 0.803555150740706 Energy: 0.8035660171234835 Energy: 0.7808960368330204 Energy: 0.9039221725394972 Energy: 0.9039220500696046 Energy: 0.7825590728458931 Energy: 0.8124506228630987 Energy: 0.8124507742300162 Energy: 0.8323722191705762 Energy: 0.815968996503768 Energy: 0.8159946241747592 minimum gb energy = 0.7808901820964542 eV minimum distance = 2.44660336446507 Angstroms sigma value = 3 ======================================== theta = 61.92751306414704 ======================================== Energy: 0.8182894700240693 Energy: 0.8182928693290409 Energy: 0.8182883911471323 Energy: 0.7500680320906148 Energy: 0.8493756804376973 Energy: 0.8493759996627332 Energy: 0.7536814697977076 Energy: 0.8398932760648553 Energy: 0.8399030541281002 Energy: 0.7500686850035093 Energy: 0.7624382636682374 Energy: 0.7624344337826091 Energy: 0.818289271290571 Energy: 0.8077737792243924 Energy: 0.8077737967832842 Energy: 0.7887290530318034 Energy: 0.7621082195307075 Energy: 0.7621033128346502 Energy: 0.8124166601701254 Energy: 0.7621111083393496 Energy: 0.762110104944098 Energy: 0.8182899684727933 Energy: 0.7621074541665529 Energy: 0.7621096489450421 Energy: 0.7500701190638148 Energy: 0.8756169949112076 Energy: 0.875617122852118 Energy: 0.7536779288708391 Energy: 0.8497545334388967 Energy: 0.849758194666434 minimum gb energy = 0.7500680320906148 eV minimum distance = 2.45987201260011 Angstroms sigma value = 17 ======================================== theta = 63.2150044924978 ======================================== Energy: 0.8250299200736035 Energy: 0.8034376555901759 Energy: 0.8034294768601933 Energy: 0.7702506194115545 Energy: 0.7918639885758292 Energy: 0.7918639875852261 Energy: 0.7789159576026152 Energy: 0.8401171318563203 Energy: 0.8401111438976864 Energy: 0.8721199356483832 Energy: 0.786472549191838 Energy: 0.7864764238895958 Energy: 0.839033432886083 Energy: 0.7723044813345803 Energy: 0.7723051570412336 Energy: 0.7875554193616442 Energy: 0.8165386219838932 Energy: 0.8165375259543205 Energy: 0.8165314659896404 Energy: 0.7862219291423105 Energy: 0.7862218162647427 Energy: 0.7592240749532215 Energy: 0.9198433989114088 Energy: 0.9198590582193003 Energy: 0.7666707641577785 Energy: 0.8993240660209821 Energy: 0.8993240804153306 Energy: 0.7652247815863058 Energy: 0.8493756963927171 Energy: 0.8493756479229917 minimum gb energy = 0.7592240749532215 eV minimum distance = 2.42809594771267 Angstroms sigma value = 233 ======================================== theta = 64.01076641616699 ======================================== Energy: 0.8098809077701175 Energy: 0.7754219647093905 Energy: 0.7754309082043197 Energy: 0.761282993390569 Energy: 0.8743926132505299 Energy: 0.8743926114741384 Energy: 0.7858302296609508 Energy: 0.7823811501492758 Energy: 0.7823695556765609 Energy: 0.7794889344947965 Energy: 0.7664371780950113 Energy: 0.7664351863655152 Energy: 0.7651929343478215 Energy: 0.8662629730331809 Energy: 0.8662627543494724 Energy: 0.7729033510201915 Energy: 0.802330664701567 Energy: 0.8023302944394177 Energy: 0.7651759203152708 Energy: 0.8011265761454827 Energy: 0.8011233749777311 Energy: 0.906701240544531 Energy: 0.7901954900767495 Energy: 0.7901953474527929 Energy: 0.7612802283390693 Energy: 0.7858300418290514 Energy: 0.7858300487938965 Energy: 0.7612827724007549 Energy: 0.7622079839370783 Energy: 0.7622186016870212 minimum gb energy = 0.7612802283390693 eV minimum distance = 2.46613544112293 Angstroms sigma value = 89 ======================================== theta = 64.94238458169698 ======================================== Energy: 0.8448013103171937 Energy: 0.7855557719282352 Energy: 0.7855600309316786 Energy: 0.7948582059820354 Energy: 0.784840903507899 Energy: 0.784838223519188 Energy: 0.7717129324421269 Energy: 0.8168495089322519 Energy: 0.8168495075849809 Energy: 0.8344492113627049 Energy: 0.7623158216189871 Energy: 0.7623156892163481 Energy: 0.7547459454917952 Energy: 0.8062367535647181 Energy: 0.806236753560202 Energy: 0.9243802490176843 Energy: 0.7536376765069258 Energy: 0.7536126570673214 Energy: 0.7523954995750186 Energy: 0.75523707173673 Energy: 0.7552370731836927 Energy: 0.8134383136170349 Energy: 0.7675032818662465 Energy: 0.7675064346654389 Energy: 0.752385607759106 Energy: 0.7552392570618979 Energy: 0.7552370812443284 Energy: 0.8833322213081665 Energy: 0.7638373245920312 Energy: 0.7638239899293765 minimum gb energy = 0.752385607759106 eV minimum distance = 2.46629721179616 Angstroms sigma value = 85 ======================================== theta = 65.4704525442152 ======================================== Energy: 0.8283103912741859 Energy: 0.7730291698743071 Energy: 0.7730459370934095 Energy: 0.7589715741671239 Energy: 0.8391477311156355 Energy: 0.8391477315187883 Energy: 0.7499184338474404 Energy: 0.7640149439962932 Energy: 0.7640174526638217 Energy: 0.8065189753808102 Energy: 0.7713081820301765 Energy: 0.7713179210668675 Energy: 0.758989016855007 Energy: 0.7576604206244983 Energy: 0.7576627723997995 Energy: 0.7493033681236145 Energy: 0.7891602458038735 Energy: 0.7891717137370734 Energy: 0.764448881580624 Energy: 0.8118075072905534 Energy: 0.8118158760149247 Energy: 0.7514053997309114 Energy: 0.8634574632682689 Energy: 0.86345745919177 Energy: 0.7543281956678057 Energy: 0.782183148993012 Energy: 0.7821755463898011 Energy: 0.8428945106624142 Energy: 0.7575442447290311 Energy: 0.7575442636937657 minimum gb energy = 0.7493033681236145 eV minimum distance = 2.46352349577303 Angstroms sigma value = 69 ======================================== theta = 67.38013505195957 ======================================== Energy: 0.7124107769797221 Energy: 0.7124105768841182 Energy: 0.7124103473490303 Energy: 0.7341936562179756 Energy: 0.7509294978576144 Energy: 0.750929264086583 Energy: 0.7118985130034939 Energy: 0.7341922509490435 Energy: 0.7341925412032438 Energy: 0.7218446942224426 Energy: 0.7341929218827076 Energy: 0.734193400556019 Energy: 0.7218444204916532 Energy: 0.7341930961801448 Energy: 0.7341922934828277 Energy: 0.9983732919800464 Energy: 0.7218465200016322 Energy: 0.7218444074443899 Energy: 0.7218459197771425 Energy: 0.7509254867371001 Energy: 0.750925496538086 Energy: 0.7124106639445329 Energy: 0.8240525259825222 Energy: 0.8240524003733244 Energy: 0.7218447813934312 Energy: 0.734192251121788 Energy: 0.7341924793000411 Energy: 0.7124104505614024 Energy: 0.7341923441235914 Energy: 0.7341937096035532 minimum gb energy = 0.7118985130034939 eV minimum distance = 2.48034339500233 Angstroms sigma value = 13 ======================================== theta = 69.39030706246794 ======================================== Energy: 0.8570614189862806 Energy: 0.7274088446245849 Energy: 0.7274109534696114 Energy: 0.7108564460828867 Energy: 0.7337607820032742 Energy: 0.7337607547111333 Energy: 0.7245777922473154 Energy: 0.760118241343379 Energy: 0.7601183831741113 Energy: 0.7066359283214516 Energy: 0.8334436700413974 Energy: 0.8334436696755718 Energy: 0.7105870814682325 Energy: 0.7212782559848429 Energy: 0.7212781722418358 Energy: 0.7052234065663823 Energy: 0.8159525421422921 Energy: 0.8159525113964141 Energy: 0.7073394261867706 Energy: 0.7173728225316578 Energy: 0.717372568248919 Energy: 0.7676141531013269 Energy: 0.7157095870815195 Energy: 0.7157135245198328 Energy: 0.7676657708408113 Energy: 0.8497320001202363 Energy: 0.8497319976387101 Energy: 0.8188895658340685 Energy: 0.7119434250000981 Energy: 0.7119408314106703 minimum gb energy = 0.7052234065663823 eV minimum distance = 2.47069180413326 Angstroms sigma value = 125 ======================================== theta = 69.98404039711733 ======================================== Energy: 0.7398552266729496 Energy: 0.7207423642234224 Energy: 0.7207532649211394 Energy: 0.7157407790280256 Energy: 0.7224241933809135 Energy: 0.7224238703393567 Energy: 0.7099419986071203 Energy: 0.7112883085881027 Energy: 0.7112883081480091 Energy: 0.6939888883072232 Energy: 0.7714954894884625 Energy: 0.7714950614490608 Energy: 0.88943714800717 Energy: 0.7016839083664186 Energy: 0.7016937312919815 Energy: 0.7099454353441418 Energy: 0.7418879469374077 Energy: 0.7418859444386994 Energy: 0.6961623778162211 Energy: 0.7008897359964527 Energy: 0.7008897360175026 Energy: 0.7990220651433168 Energy: 0.7084001354480759 Energy: 0.7084056899424195 Energy: 0.707701232607836 Energy: 0.752206356695607 Energy: 0.7522059184160677 Energy: 0.6932133557086948 Energy: 0.8471481941926332 Energy: 0.8471494275238713 minimum gb energy = 0.6932133557086948 eV minimum distance = 2.44857287723961 Angstroms sigma value = 37 ======================================== theta = 71.07535558394876 ======================================== Energy: 0.7148067995297249 Energy: 0.6888771384669948 Energy: 0.6888746809868395 Energy: 0.6784425365015436 Energy: 0.7918229691003019 Energy: 0.791825674463515 Energy: 0.6784425458029751 Energy: 0.6989824770721396 Energy: 0.6989775473728095 Energy: 0.688875285271863 Energy: 0.7007031911119244 Energy: 0.700703201233152 Energy: 0.8087617205575506 Energy: 0.7007031886742876 Energy: 0.700703184206437 Energy: 0.6784425973464636 Energy: 0.6989818151174878 Energy: 0.6989796843218803 Energy: 0.6921869153489466 Energy: 0.7369387215097403 Energy: 0.7369386998609342 Energy: 0.9248255021052987 Energy: 0.700703191932965 Energy: 0.7007031993142697 Energy: 0.6951125269166911 Energy: 0.6884544122353117 Energy: 0.6884591574081922 Energy: 0.6921865132427892 Energy: 0.7301357463230969 Energy: 0.730139290997597 minimum gb energy = 0.6784425365015436 eV minimum distance = 2.48498270164458 Angstroms sigma value = 37 ======================================== theta = 72.05474677020722 ======================================== Energy: 0.839282459367813 Energy: 0.7007342371105658 Energy: 0.7007342371133207 Energy: 0.6631775939370008 Energy: 0.6860558018642058 Energy: 0.6860596797012922 Energy: 0.6697342111803295 Energy: 0.8154330738281647 Energy: 0.8154330744859172 Energy: 0.6719941436794814 Energy: 0.7338867139703029 Energy: 0.7338725346984923 Energy: 0.6705702395849383 Energy: 0.6788043053002831 Energy: 0.678804268469613 Energy: 0.8292268743439901 Energy: 0.6884314695683401 Energy: 0.6884314695974637 Energy: 0.674724990002338 Energy: 0.7510149713582884 Energy: 0.7510129115843576 Energy: 0.9238247143383059 Energy: 0.6755932172213774 Energy: 0.675593218078166 Energy: 0.6719941692017745 Energy: 0.6986655382888598 Energy: 0.6986663482809914 Energy: 0.6702662755322409 Energy: 0.7243348900467331 Energy: 0.7243465220375123 minimum gb energy = 0.6631775939370008 eV minimum distance = 2.47754376269747 Angstroms sigma value = 185 ======================================== theta = 72.50767547488958 ======================================== Energy: 0.7993761025597457 Energy: 0.6843836594150517 Energy: 0.6843739606785986 Energy: 0.6626808673460918 Energy: 0.737228158090013 Energy: 0.7372335640191721 Energy: 0.7861345247327879 Energy: 0.681518596406834 Energy: 0.6815234867815039 Energy: 0.6745329589059805 Energy: 0.7876506027400471 Energy: 0.7876495708345937 Energy: 0.6841378315802736 Energy: 0.7221703828504935 Energy: 0.7221703387376572 Energy: 0.6706285580509312 Energy: 0.7819278976421588 Energy: 0.7819284921526662 Energy: 0.6679930329495535 Energy: 0.7928925839125304 Energy: 0.7928985367924175 Energy: 0.7923398571365485 Energy: 0.7320250721641733 Energy: 0.7320242899517351 Energy: 0.673255336883126 Energy: 0.7678996371017406 Energy: 0.7679019452472214 Energy: 0.7861324292485872 Energy: 0.6815192823777837 Energy: 0.6815243974443124 minimum gb energy = 0.6626808673460918 eV minimum distance = 2.46769754555185 Angstroms sigma value = 173 ======================================== theta = 73.73979529168804 ======================================== Energy: 0.7652280988654364 Energy: 0.666997897755309 Energy: 0.6669929432592712 Energy: 0.65329332285337 Energy: 0.6862260146092448 Energy: 0.686225702612717 Energy: 0.6414180711001334 Energy: 0.7209048582376423 Energy: 0.720904777878066 Energy: 0.6493965160304106 Energy: 0.8234682878178544 Energy: 0.8234434884602353 Energy: 0.6390460818433557 Energy: 0.7139295029840758 Energy: 0.713929400974612 Energy: 0.6531134138696352 Energy: 0.6561046672645624 Energy: 0.6561039294937827 Energy: 0.7337133187295803 Energy: 0.7186924066360302 Energy: 0.7186946194753061 Energy: 0.7652280838343483 Energy: 0.6561038847236716 Energy: 0.65610400982983 Energy: 0.7337125692344356 Energy: 0.656104375897023 Energy: 0.6561043051097897 Energy: 0.6414189782431443 Energy: 0.7467256218449022 Energy: 0.7467256349379928 minimum gb energy = 0.6390460818433557 eV minimum distance = 2.41557543270101 Angstroms sigma value = 25 ======================================== theta = 75.13718405765499 ======================================== Energy: 0.7644855334449723 Energy: 0.6432263203861729 Energy: 0.6432177655933785 Energy: 0.6219280171429591 Energy: 0.6425560220774971 Energy: 0.6425566655945566 Energy: 0.6551831471003822 Energy: 0.6923453478922016 Energy: 0.6923426474683941 Energy: 0.6163348360904733 Energy: 0.806773577989706 Energy: 0.8067662228774016 Energy: 0.6290713981417324 Energy: 0.7490509220609307 Energy: 0.7490586407738431 Energy: 0.6425563056008149 Energy: 0.7396490358484823 Energy: 0.7396833667252602 Energy: 0.6163356852266649 Energy: 0.6975218646386501 Energy: 0.6975216384829408 Energy: 0.9497228645492913 Energy: 0.6866248870342284 Energy: 0.6866278616347208 Energy: 0.6203083634741346 Energy: 0.765436184101012 Energy: 0.7654361947454251 Energy: 0.624301477875658 Energy: 0.6841983279481543 Energy: 0.6841985295601284 minimum gb energy = 0.6163348360904733 eV minimum distance = 2.47113055925125 Angstroms sigma value = 269 ======================================== theta = 75.74996730219641 ======================================== Energy: 0.7961674613432342 Energy: 0.6334500020721341 Energy: 0.633450102392092 Energy: 0.6044267505103337 Energy: 0.63942560033917 Energy: 0.6394256003340055 Energy: 0.6056080268160452 Energy: 0.781556715292586 Energy: 0.7815554829233934 Energy: 0.620037301799803 Energy: 0.6278550538363776 Energy: 0.6278550324205698 Energy: 0.6200395282423934 Energy: 0.6482670182519061 Energy: 0.6482739207288505 Energy: 0.605394952086692 Energy: 0.7229681750640631 Energy: 0.7229641094641651 Energy: 0.621871433594575 Energy: 0.6072397674832803 Energy: 0.6072423224543682 Energy: 0.7961676682673603 Energy: 0.6278559539612895 Energy: 0.6278551249738498 Energy: 0.6053953018484286 Energy: 0.6375967977581595 Energy: 0.6375968158115418 Energy: 0.6053921406871253 Energy: 0.7245801120764135 Energy: 0.7245805038175714 minimum gb energy = 0.6044267505103337 eV minimum distance = 2.46069277590913 Angstroms sigma value = 65 ======================================== theta = 76.31445317473812 ======================================== Energy: 0.8332060417175223 Energy: 0.6192877384033132 Energy: 0.6192896596809672 Energy: 0.5969409325649381 Energy: 0.719310153882048 Energy: 0.7193100776449262 Energy: 0.6083515753743401 Energy: 0.6141815586239306 Energy: 0.6141815714538973 Energy: 0.6105463115098523 Energy: 0.6012397802590043 Energy: 0.6012398915503901 Energy: 0.6048744114371927 Energy: 0.6262150046276018 Energy: 0.6262293836685098 Energy: 0.7200828050262602 Energy: 0.658055354513004 Energy: 0.6580548626430631 Energy: 0.603233484335763 Energy: 0.6101093641158922 Energy: 0.6101074310892707 Energy: 0.9139224269547737 Energy: 0.6041308502228526 Energy: 0.6041309469770317 Energy: 0.6032337935249361 Energy: 0.6638893356568611 Energy: 0.663889306771151 Energy: 0.7022317816142245 Energy: 0.6036282722217586 Energy: 0.6036312765266182 minimum gb energy = 0.5969409325649381 eV minimum distance = 2.4779459186107 Angstroms sigma value = 79 ======================================== theta = 77.31961650818018 ======================================== Energy: 0.6097638287852627 Energy: 0.5894772067238707 Energy: 0.5894772071851179 Energy: 0.57818620048069 Energy: 0.592504098395259 Energy: 0.5925036271543574 Energy: 0.7612609071763299 Energy: 0.5808627073074497 Energy: 0.5808627081906895 Energy: 0.5808627078756674 Energy: 0.9086638695234929 Energy: 0.9086632907255457 Energy: 0.5808627146902521 Energy: 0.6322917231523366 Energy: 0.6322917231272944 Energy: 0.5648630211468872 Energy: 0.7409411564945273 Energy: 0.7409411653873457 Energy: 0.5808627104410643 Energy: 0.5808627079416738 Energy: 0.5808627086594985 Energy: 0.6097638816642057 Energy: 0.6097638279730073 Energy: 0.6097638423183674 Energy: 0.5781861998957523 Energy: 0.5781861999341704 Energy: 0.5781861999667746 Energy: 0.5648607537317104 Energy: 0.578186200162324 Energy: 0.5781862006285869 minimum gb energy = 0.5648607537317104 eV minimum distance = 2.48323341813392 Angstroms sigma value = 41 ======================================== theta = 78.57881372500071 ======================================== Energy: 0.7490829351693349 Energy: 0.5791194585584948 Energy: 0.5791256351206256 Energy: 0.5463934278105359 Energy: 0.6460489897157358 Energy: 0.6460504127206346 Energy: 0.5421732539628937 Energy: 0.7348821470179343 Energy: 0.7348801218199928 Energy: 0.731231305387973 Energy: 0.6307109589946763 Energy: 0.6307138242759994 Energy: 0.7237511647654612 Energy: 0.5710305372004535 Energy: 0.5710290999386017 Energy: 0.5588535430290618 Energy: 0.5675581427322228 Energy: 0.5675585621865964 Energy: 0.5548683138065653 Energy: 0.6186663368790397 Energy: 0.6186652352983009 Energy: 0.8609691382052126 Energy: 0.6363784575485814 Energy: 0.636378323566388 Energy: 0.5965495002686578 Energy: 0.5538046329335645 Energy: 0.553804628613172 Energy: 0.5421730809228519 Energy: 0.5964777825409442 Energy: 0.5964775973092669 minimum gb energy = 0.5421730809228519 eV minimum distance = 2.41669797311572 Angstroms sigma value = 101 ======================================== theta = 79.61114218453038 ======================================== Energy: 0.7723529444492833 Energy: 0.536186535222102 Energy: 0.5361865449214869 Energy: 0.5487738080937776 Energy: 0.5303557969261311 Energy: 0.5303526900809395 Energy: 0.5239480834503384 Energy: 0.58005894211855 Energy: 0.5800545627478768 Energy: 0.5179898967712487 Energy: 0.5400398238950074 Energy: 0.5400392421244462 Energy: 0.5239457257873833 Energy: 0.5800572920731959 Energy: 0.5800536495018955 Energy: 0.522467121930979 Energy: 0.5400390938649259 Energy: 0.5400402417183088 Energy: 0.5224670284938547 Energy: 0.6559536385303649 Energy: 0.6559570922632834 Energy: 0.7723536376479214 Energy: 0.5400398917278328 Energy: 0.5400397109063032 Energy: 0.7639627662372355 Energy: 0.6559556022430597 Energy: 0.6559538211543389 Energy: 0.5239454809154013 Energy: 0.5529202631124579 Energy: 0.5529213256373485 minimum gb energy = 0.5179898967712487 eV minimum distance = 2.48818177689145 Angstroms sigma value = 15 ======================================== theta = 80.47271661854764 ======================================== Energy: 0.7439776752310701 Energy: 0.5257455992129364 Energy: 0.5257502780315703 Energy: 0.609819583572219 Energy: 0.6299431941450825 Energy: 0.629940802191743 Energy: 0.5028857235488005 Energy: 0.5250500191955477 Energy: 0.5250374356981913 Energy: 0.5152860939129263 Energy: 0.5250396646205293 Energy: 0.5250370652007256 Energy: 0.7457464935989726 Energy: 0.5637895540205039 Energy: 0.5637901763290523 Energy: 0.5083269948374468 Energy: 0.5563451535087218 Energy: 0.5563450331347236 Energy: 0.49777269040275623 Energy: 0.7464340520059112 Energy: 0.7464340520215995 Energy: 0.8352017029322456 Energy: 0.5762209962628239 Energy: 0.5762213456600715 Energy: 0.5074815471874773 Energy: 0.5615842450277209 Energy: 0.5615779982142091 Energy: 0.49667861956285053 Energy: 0.7352080375947485 Energy: 0.7352071240371455 minimum gb energy = 0.49667861956285053 eV minimum distance = 2.40836169544649 Angstroms sigma value = 145 ======================================== theta = 81.20258929000894 ======================================== Energy: 0.6992703094737813 Energy: 0.498927918491789 Energy: 0.49892501030110653 Energy: 0.49047665386106104 Energy: 0.5073734556647123 Energy: 0.5073737444097286 Energy: 0.4798601971464786 Energy: 0.6971713690382845 Energy: 0.6971703083495535 Energy: 0.4786872515383833 Energy: 0.6868758983486137 Energy: 0.6868761327665446 Energy: 0.48075358342880925 Energy: 0.5885339844639904 Energy: 0.5885289012071253 Energy: 0.4807542480137676 Energy: 0.5073736955473279 Energy: 0.5073754938804175 Energy: 0.49047655962599385 Energy: 0.498393413537095 Energy: 0.49839341133348575 Energy: 0.6992704856738956 Energy: 0.5073752732362055 Energy: 0.5073740026416613 Energy: 0.6152666722281878 Energy: 0.5948700602239892 Energy: 0.5948708743124428 Energy: 0.4953254662860742 Energy: 0.479859810493238 Energy: 0.4798590654620802 minimum gb energy = 0.4786872515383833 eV minimum distance = 2.48145332345351 Angstroms sigma value = 85 ======================================== theta = 81.82876644005026 ======================================== Energy: 0.6973479737175348 Energy: 0.48954908956935056 Energy: 0.48956082579206095 Energy: 0.4680080164929056 Energy: 0.49845721185069825 Energy: 0.49845718118950155 Energy: 0.46733740054806705 Energy: 0.4833186269589304 Energy: 0.48332174121351296 Energy: 0.5910257107497786 Energy: 0.4938753202336347 Energy: 0.4938755609166369 Energy: 0.5910417863776186 Energy: 0.5306448246607818 Energy: 0.5306449807346895 Energy: 0.4651526490860075 Energy: 0.5306449356953399 Energy: 0.5306447833537414 Energy: 0.48812997552148685 Energy: 0.4850940552935629 Energy: 0.4850940602020806 Energy: 0.8581017727380359 Energy: 0.5708815147844405 Energy: 0.570883125319431 Energy: 0.5854164570743278 Energy: 0.6654301092514043 Energy: 0.6654301550474343 Energy: 0.4602094116752628 Energy: 0.5556972974343707 Energy: 0.5556980651057809 minimum gb energy = 0.4602094116752628 eV minimum distance = 2.41294462874614 Angstroms sigma value = 197 ======================================== theta = 82.3718503314193 ======================================== Energy: 0.6558148342894552 Energy: 0.47017464400354136 Energy: 0.47017482720989673 Energy: 0.4729272063678548 Energy: 0.47293075866995643 Energy: 0.47292754098553685 Energy: 0.43604720498251043 Energy: 0.5037330868458344 Energy: 0.5037326981458607 Energy: 0.4360472049991283 Energy: 0.6310206335790008 Energy: 0.6310206339479363 Energy: 0.5096409149722506 Energy: 0.6310206337717775 Energy: 0.631020633586028 Energy: 0.4360472049986247 Energy: 0.551757268556734 Energy: 0.5517571979947868 Energy: 0.6145818574627104 Energy: 0.48766062907477276 Energy: 0.4876606326998981 Energy: 0.6558154077883772 Energy: 0.4729271578395078 Energy: 0.47292724473411274 Energy: 0.47292918975312165 Energy: 0.4502409947697043 Energy: 0.4502408930912466 Energy: 0.4514109579853326 Energy: 0.47292716527296746 Energy: 0.4729272864360566 minimum gb energy = 0.43604720498251043 eV minimum distance = 2.49396912452491 Angstroms sigma value = 113 ======================================== theta = 83.2670786731404 ======================================== Energy: 0.6847127147605728 Energy: 0.44582881465628815 Energy: 0.4458221987513122 Energy: 0.7133829003012663 Energy: 0.5020329902252426 Energy: 0.5020310047206789 Energy: 0.416503414639622 Energy: 0.4524699658705321 Energy: 0.45248023807893506 Energy: 0.4165101081621289 Energy: 0.45247362777809236 Energy: 0.4524700524043899 Energy: 0.40608162959625754 Energy: 0.5901489222812201 Energy: 0.5901487462581604 Energy: 0.4245865784104041 Energy: 0.43123892405828607 Energy: 0.4312348546347184 Energy: 0.6718916951904835 Energy: 0.581110280720361 Energy: 0.5811152840335347 Energy: 0.7415719499488078 Energy: 0.45246993008756137 Energy: 0.45246986294020847 Energy: 0.5731202493145322 Energy: 0.45248221125283383 Energy: 0.4524698216570677 Energy: 0.5108054358128051 Energy: 0.5804131538643856 Energy: 0.5804126363151331 minimum gb energy = 0.40608162959625754 eV minimum distance = 2.41351253697197 Angstroms sigma value = 145 ======================================== theta = 83.97442499163331 ======================================== Energy: 0.7262217976802983 Energy: 0.42517090485451364 Energy: 0.4251722854523508 Energy: 0.6126896339342162 Energy: 0.41419620690033904 Energy: 0.4141962071179119 Energy: 0.4237012050545424 Energy: 0.5083419108505766 Energy: 0.508344246615862 Energy: 0.39961121574495057 Energy: 0.414196206936149 Energy: 0.4141962076683368 Energy: 0.38793017697383336 Energy: 0.4333913832075197 Energy: 0.4333923272068428 Energy: 0.5126976745195085 Energy: 0.5459980782562329 Energy: 0.5459982239752107 Energy: 0.44964773197178154 Energy: 0.41419621044636057 Energy: 0.414196211215118 Energy: 0.7262357529029432 Energy: 0.4234525851267664 Energy: 0.4234525990793176 Energy: 0.7513523556327507 Energy: 0.4631096570824574 Energy: 0.4631096590296531 Energy: 0.40323055125795587 Energy: 0.43338930169085726 Energy: 0.43338926666672756 minimum gb energy = 0.38793017697383336 eV minimum distance = 2.49492741071997 Angstroms sigma value = 181 ======================================== theta = 84.54737801218748 ======================================== Energy: 0.42085484966074366 Energy: 0.40124538723986636 Energy: 0.4012456278573086 Energy: 0.5368911858662194 Energy: 0.4598646485217545 Energy: 0.45986619874266604 Energy: 0.3762574662814994 Energy: 0.4647660731951188 Energy: 0.46476530251282355 Energy: 0.3735748972765375 Energy: 0.39122471267887426 Energy: 0.39122577156249005 Energy: 0.37357943310587116 Energy: 0.3985735300171439 Energy: 0.3985750667188968 Energy: 0.37625800839302576 Energy: 0.40689031238907963 Energy: 0.4068904684698466 Energy: 0.5352886840975134 Energy: 0.3985815749745221 Energy: 0.3985735791562944 Energy: 0.7258824396097627 Energy: 0.39858893010781654 Energy: 0.398573801081009 Energy: 0.5352895628350368 Energy: 0.3985748231212936 Energy: 0.3985807737767004 Energy: 0.39629937441769014 Energy: 0.3985857725815695 Energy: 0.39857357626896994 minimum gb energy = 0.3735748972765375 eV minimum distance = 2.49229874439334 Angstroms sigma value = 55 ======================================== theta = 85.02089415600169 ======================================== Energy: 0.6240746223282893 Energy: 0.37673337801209805 Energy: 0.3767352734929378 Energy: 0.47534894482927653 Energy: 0.37751885334308793 Energy: 0.37752032319228923 Energy: 0.5168318533588399 Energy: 0.360346966039713 Energy: 0.3603389195610774 Energy: 0.34590148051971475 Energy: 0.3841748755949928 Energy: 0.38417483172519695 Energy: 0.3606732385503677 Energy: 0.3715306813398423 Energy: 0.3715288268228532 Energy: 0.35210180811340563 Energy: 0.3711826175160616 Energy: 0.3711812584429924 Energy: 0.6448756125454992 Energy: 0.3558719158055488 Energy: 0.3558723789429186 Energy: 0.6988133289478923 Energy: 0.38417618970901485 Energy: 0.3841759596036609 Energy: 0.4753556973760524 Energy: 0.40345055314965683 Energy: 0.403450589182536 Energy: 0.35178052653391323 Energy: 0.3841763934074784 Energy: 0.38417642113568784 minimum gb energy = 0.34590148051971475 eV minimum distance = 2.49259360307876 Angstroms sigma value = 265 ======================================== theta = 85.41877991472295 ======================================== Energy: 0.3733986878709523 Energy: 0.3590893766613917 Energy: 0.3590893701989192 Energy: 0.4023682237242022 Energy: 0.44187103425294133 Energy: 0.4418729931943905 Energy: 0.3406958943086667 Energy: 0.35383435255199813 Energy: 0.353822302355739 Energy: 0.32645496407551017 Energy: 0.35905303163749686 Energy: 0.35906346704772085 Energy: 0.34069376405587054 Energy: 0.3538182008671088 Energy: 0.35381903457854946 Energy: 0.3337873162132017 Energy: 0.3590458277285975 Energy: 0.35905038658692645 Energy: 0.4456235829354914 Energy: 0.36486932152897983 Energy: 0.3648646835483756 Energy: 0.6617041606739048 Energy: 0.3590457654252052 Energy: 0.3590461919725439 Energy: 0.5541545023845401 Energy: 0.3648685395401225 Energy: 0.36486977783073654 Energy: 0.33694011024639503 Energy: 0.3590463850560718 Energy: 0.3590511690896337 minimum gb energy = 0.32645496407551017 eV minimum distance = 2.49056807367011 Angstroms sigma value = 39 ======================================== theta = 85.7578072066771 ======================================== Energy: 0.3606559086512029 Energy: 0.3438079849995221 Energy: 0.3438104953261133 Energy: 0.42768070255526247 Energy: 0.3430815582897399 Energy: 0.3431032092928509 Energy: 0.3841815092727944 Energy: 0.3384681904471031 Energy: 0.33846698094523114 Energy: 0.3120136054565614 Energy: 0.3384665995658186 Energy: 0.33846749270106175 Energy: 0.3183715516909393 Energy: 0.347921972111242 Energy: 0.3479148576695889 Energy: 0.32384715461426433 Energy: 0.44626108678100374 Energy: 0.44626565354692393 Energy: 0.42768117864686894 Energy: 0.3384675205534509 Energy: 0.3384670890631007 Energy: 0.702729304771837 Energy: 0.338468116236964 Energy: 0.3384692619978658 Energy: 0.3868498860548013 Energy: 0.41759055033141773 Energy: 0.41759411916245415 Energy: 0.41439398616166745 Energy: 0.3384675917290676 Energy: 0.33846959793448034 minimum gb energy = 0.3120136054565614 eV minimum distance = 2.48901750164576 Angstroms sigma value = 91 ======================================== theta = 86.05013197823605 ======================================== Energy: 0.34904352952408985 Energy: 0.3301004085139237 Energy: 0.3300914630697515 Energy: 0.41178099348102926 Energy: 0.32891376742833317 Energy: 0.3289137774655899 Energy: 0.3092682872748537 Energy: 0.333196062820507 Energy: 0.3332063282200805 Energy: 0.3050255838572155 Energy: 0.33766978185346896 Energy: 0.33766602723078687 Energy: 0.3020269326686297 Energy: 0.32891382081955095 Energy: 0.3289132751020305 Energy: 0.46259471440131716 Energy: 0.39915209271882207 Energy: 0.39915208725817225 Energy: 0.3146946138496122 Energy: 0.36306032282720707 Energy: 0.36305964327958085 Energy: 0.33765376593204677 Energy: 0.33319313627020203 Energy: 0.3331959068609636 Energy: 0.4993268212292314 Energy: 0.3376526097151209 Energy: 0.3376531619311651 Energy: 0.3148656168924117 Energy: 0.3881347837445098 Energy: 0.3881119729649489 minimum gb energy = 0.3020269326686297 eV minimum distance = 2.48887835632255 Angstroms sigma value = 105 ======================================== theta = 90.0 ======================================== Energy: 0.012214198831404188 Energy: 0.012214198834802242 Energy: 0.012214198826113543 Energy: 0.012214198839340154 Energy: 0.2320633863690191 Energy: 0.23206338637960042 Energy: 0.012214198831769801 Energy: 0.23206338637998752 Energy: 0.2320633863705246 Energy: 0.012214198831769801 Energy: 0.23206338638680513 Energy: 0.23206338637960042 Energy: 0.01221419883443663 Energy: 0.2320633863773422 Energy: 0.2320633863792348 Energy: 0.01221419882989872 Energy: 0.23206338638224575 Energy: 0.23206338638981608 Energy: 0.0122141988295116 Energy: 0.2320633863690191 Energy: 0.23206338637127732 Energy: 0.012214198832156922 Energy: 0.012214198830264334 Energy: 0.012214198834802242 Energy: 0.012214198835189363 Energy: 0.23206338639020319 Energy: 0.2320633863777078 Energy: 0.012214198837834686 Energy: 0.23206338637848203 Energy: 0.2320633863750625 minimum gb energy = 0.012214198826113543 eV minimum distance = 2.72483172764205 Angstroms sigma value = 1