model_name=Sim_LAMMPS_MEAM_PascuetFernandez_2015_AlU__SM_721930391003_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=4.049998886883259 cohesive_energy=3.360254209517774 mass=26.981538 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.010326183196932018 Energy: 0.010326183196932018 Energy: 0.010326183196932018 Energy: 0.010326183197431737 Energy: 0.010326183197431737 Energy: 0.010326183197431737 Energy: 0.010326183198875363 Energy: 0.010326183197431737 Energy: 0.010326183196932018 Energy: 0.010326183197431737 Energy: 0.010326183196932018 Energy: 0.010326183196932018 Energy: 0.010326183196932018 Energy: 0.010326183197903691 Energy: 0.010326183196932018 Energy: 0.7047565483332388 Energy: 0.010326183202317858 Energy: 0.010326183197431737 Energy: 0.010326183196932018 Energy: 0.010326183196932018 Energy: 0.010326183197431737 Energy: 0.010326183196932018 Energy: 0.010326183197903691 Energy: 0.010326183196932018 Energy: 0.010326183198875363 Energy: 0.010326183196932018 Energy: 0.010326183197431737 Energy: 0.010326183196932018 Energy: 0.010326183197431737 Energy: 0.010326183197431737 minimum gb energy = 0.010326183196932018 eV minimum distance = 2.86368101064239 Angstroms sigma value = 1 ======================================== theta = 7.628149668580709 ======================================== Energy: 0.5160274510424044 Energy: 0.45324267472875157 Energy: 0.4532426734545844 Energy: 0.4720529106078979 Energy: 0.45309190730415 Energy: 0.45309189834860686 Energy: 0.47232159590314204 Energy: 0.5289724858553025 Energy: 0.5289725603934784 Energy: 0.4851696613774265 Energy: 0.4676437606501107 Energy: 0.46764375956049575 Energy: 0.4793230837916848 Energy: 0.45369187750766804 Energy: 0.4536918767747478 Energy: 0.43623125660440915 Energy: 0.46148922998784725 Energy: 0.46148918592269367 Energy: 0.47173345476323975 Energy: 0.4536918779033651 Energy: 0.45369188037271974 Energy: 0.4784448410554881 Energy: 0.5216049368043636 Energy: 0.521604980466374 Energy: 0.4793360999694337 Energy: 0.5758217093558026 Energy: 0.5758217124528594 Energy: 0.472321603569242 Energy: 0.461340654332263 Energy: 0.4613419544703429 minimum gb energy = 0.43623125660440915 eV minimum distance = 2.6142734024096 Angstroms sigma value = 113 ======================================== theta = 8.171233559949753 ======================================== Energy: 0.5329934738475907 Energy: 0.47264010317673505 Energy: 0.4726401031997111 Energy: 0.44605805124313025 Energy: 0.47462729178212787 Energy: 0.47462728871305426 Energy: 0.48289706429329105 Energy: 0.47318516291720325 Energy: 0.4731851639475489 Energy: 0.48200180347798827 Energy: 0.4751687685019055 Energy: 0.4751687685067792 Energy: 0.4627306536164197 Energy: 0.47264112039294065 Energy: 0.4726411203835414 Energy: 0.499017666289149 Energy: 0.4751687736994909 Energy: 0.4751687736994909 Energy: 0.46135506440637497 Energy: 0.4731851640606252 Energy: 0.4731851610294968 Energy: 0.474418872816078 Energy: 0.4751687721806354 Energy: 0.4751687724360302 Energy: 0.4841738357964947 Energy: 0.4731851398069778 Energy: 0.4731851397784318 Energy: 0.4695540089950699 Energy: 0.4840097590880226 Energy: 0.48400982455805946 minimum gb energy = 0.44605805124313025 eV minimum distance = 2.61143186345141 Angstroms sigma value = 197 ======================================== theta = 8.797410709991064 ======================================== Energy: 0.5515204414699381 Energy: 0.4857706734766724 Energy: 0.4857705046165664 Energy: 0.4877931861484686 Energy: 0.48554779404056914 Energy: 0.485547766206874 Energy: 0.5235591990934105 Energy: 0.5030843719894091 Energy: 0.5030843291443452 Energy: 0.5022560518945284 Energy: 0.63138638872253 Energy: 0.6313863883018918 Energy: 0.5103815698925521 Energy: 0.4929634624353726 Energy: 0.4929634624349979 Energy: 0.4666474552774443 Energy: 0.49520023035163846 Energy: 0.49520039440886554 Energy: 0.5009063941705124 Energy: 0.5444397407193856 Energy: 0.5444395844639454 Energy: 0.5104072101082919 Energy: 0.6203060472644273 Energy: 0.6203060628567925 Energy: 0.5618605876259681 Energy: 0.5053533040293687 Energy: 0.5053532119327451 Energy: 0.49643482218005874 Energy: 0.49520037550634693 Energy: 0.495200321417806 minimum gb energy = 0.4666474552774443 eV minimum distance = 2.61137321953178 Angstroms sigma value = 169 ======================================== theta = 9.527283381452357 ======================================== Energy: 0.5711001705185739 Energy: 0.5089273789478913 Energy: 0.5089273789470797 Energy: 0.523068814900652 Energy: 0.5960684927209372 Energy: 0.5960684981546455 Energy: 0.5602278044661916 Energy: 0.505386302861229 Energy: 0.505386262704143 Energy: 0.5252135448943531 Energy: 0.5089273790683497 Energy: 0.5089273790679439 Energy: 0.5324417727526547 Energy: 0.5825994953349278 Energy: 0.5825995248152539 Energy: 0.533398417830418 Energy: 0.5131006586797241 Energy: 0.513100657071158 Energy: 0.5324417068186909 Energy: 0.6176562220513138 Energy: 0.6184846673384707 Energy: 0.5110040189289916 Energy: 0.5089273788911203 Energy: 0.5089273789673683 Energy: 0.5323712843194719 Energy: 0.5207868115844484 Energy: 0.5207868114510238 Energy: 0.5273504621638343 Energy: 0.5442024552960374 Energy: 0.5442024560119086 minimum gb energy = 0.505386262704143 eV minimum distance = 2.56766256649075 Angstroms sigma value = 145 ======================================== theta = 10.388857815469612 ======================================== Energy: 0.6010077795602452 Energy: 0.541892437456236 Energy: 0.5418924374553512 Energy: 0.564751337365258 Energy: 0.5721765128569398 Energy: 0.5721767294758513 Energy: 0.5308711512468655 Energy: 0.5307807848929103 Energy: 0.5307807848929103 Energy: 0.5389784427062722 Energy: 0.5659799211293934 Energy: 0.5659799211302782 Energy: 0.5580197153633134 Energy: 0.564306835257817 Energy: 0.5643068355814902 Energy: 0.5119138365466114 Energy: 0.5412515604795676 Energy: 0.541251583539748 Energy: 0.5580197919219226 Energy: 0.5437125768862662 Energy: 0.5437125758051572 Energy: 0.5816350432062252 Energy: 0.5721097460038669 Energy: 0.5721097253309694 Energy: 0.51541193371847 Energy: 0.5289069047099753 Energy: 0.5289068773779604 Energy: 0.560652501556458 Energy: 0.5504313186141989 Energy: 0.5504313622344932 minimum gb energy = 0.5119138365466114 eV minimum distance = 2.54690188646531 Angstroms sigma value = 61 ======================================== theta = 11.421186274999284 ======================================== Energy: 0.6121752266892254 Energy: 0.5539061881547567 Energy: 0.553906222142149 Energy: 0.5627583971920482 Energy: 0.5553213719574899 Energy: 0.5553213585189172 Energy: 0.5696199295267586 Energy: 0.5721231167969344 Energy: 0.5721229944399927 Energy: 0.5599346533647743 Energy: 0.5579362792746371 Energy: 0.5579362776446938 Energy: 0.5727191663475102 Energy: 0.5665138490989017 Energy: 0.566513886994467 Energy: 0.5727191753763853 Energy: 0.5740719732319418 Energy: 0.5740719613460529 Energy: 0.5605043683455623 Energy: 0.5727778017161944 Energy: 0.5727780074945135 Energy: 0.5568826911728059 Energy: 0.5637041921707534 Energy: 0.563704185070716 Energy: 0.5696197606876301 Energy: 0.6096570467527175 Energy: 0.6096570418920371 Energy: 0.572719286791194 Energy: 0.5553214010827212 Energy: 0.5553213781623677 minimum gb energy = 0.5539061881547567 eV minimum distance = 2.59320589723307 Angstroms sigma value = 101 ======================================== theta = 12.68038349181982 ======================================== Energy: 0.6245496263359338 Energy: 0.5872838448507748 Energy: 0.5872838365481288 Energy: 0.6024516563419494 Energy: 0.5893118327854362 Energy: 0.5893118400250076 Energy: 0.5564056556179411 Energy: 0.5893118231004791 Energy: 0.5893118282074755 Energy: 0.5391097688698525 Energy: 0.5893118252147086 Energy: 0.5893118326808062 Energy: 0.5786468045677163 Energy: 0.5897003666501107 Energy: 0.5897003624702144 Energy: 0.5477583300034541 Energy: 0.5897003620096076 Energy: 0.5897003620128451 Energy: 0.5996295704828133 Energy: 0.5893118407488322 Energy: 0.5893118353084724 Energy: 0.5564056662014492 Energy: 0.5883075365391198 Energy: 0.5883075365067448 Energy: 0.5919937414585186 Energy: 0.5883075349599106 Energy: 0.5883075349480398 Energy: 0.6035967413568399 Energy: 0.5888134702363003 Energy: 0.5888134702368398 minimum gb energy = 0.5391097688698525 eV minimum distance = 2.56108528307584 Angstroms sigma value = 81 ======================================== theta = 14.250032697803595 ======================================== Energy: 0.6468390583769421 Energy: 0.6196818857573705 Energy: 0.6196819271085016 Energy: 0.6168701311742647 Energy: 0.5999119828517971 Energy: 0.5999119748906283 Energy: 0.6168701267460305 Energy: 0.6037436034190625 Energy: 0.603743126738776 Energy: 0.7022949234625514 Energy: 0.6179299431435625 Energy: 0.617929862833513 Energy: 0.620564261457539 Energy: 0.6265747200483608 Energy: 0.6265741196617539 Energy: 0.6205644118581379 Energy: 0.6233284308027021 Energy: 0.6233284307990657 Energy: 0.6967166243093585 Energy: 0.6224068524073905 Energy: 0.6224066278296541 Energy: 0.6205646546728782 Energy: 0.6037437128974202 Energy: 0.6037432364497463 Energy: 0.616870124284122 Energy: 0.599911868635652 Energy: 0.5999115489468292 Energy: 0.6309210541524284 Energy: 0.6136645839396646 Energy: 0.6136644153935477 minimum gb energy = 0.5999115489468292 eV minimum distance = 2.51063295933524 Angstroms sigma value = 1 ======================================== theta = 15.18928673718289 ======================================== Energy: 0.672244288767846 Energy: 0.6382394846859855 Energy: 0.6382394700897175 Energy: 0.6790484423653812 Energy: 0.679599976745046 Energy: 0.6795998236278131 Energy: 0.6385201170498644 Energy: 0.6501967147070628 Energy: 0.6501967343577872 Energy: 0.6247325975246006 Energy: 0.6400748259683015 Energy: 0.6400746748275301 Energy: 0.6345505481299429 Energy: 0.7566731466355643 Energy: 0.756673153063922 Energy: 0.6252413996739079 Energy: 0.6320567189408813 Energy: 0.6320567095071773 Energy: 0.6272192874252908 Energy: 0.647511368603809 Energy: 0.6475118864722574 Energy: 0.6130267956485722 Energy: 0.7005900533986066 Energy: 0.7005894735058307 Energy: 0.5718827014723421 Energy: 0.6682898319842695 Energy: 0.6682898327091442 Energy: 0.6439879238756884 Energy: 0.658121366951015 Energy: 0.6581214229862246 minimum gb energy = 0.5718827014723421 eV minimum distance = 2.50112109219513 Angstroms sigma value = 229 ======================================== theta = 16.26020470831196 ======================================== Energy: 0.6734864862559976 Energy: 0.6500645630240376 Energy: 0.6500646217835572 Energy: 0.6524368681915674 Energy: 0.6162615928459978 Energy: 0.6162615841335608 Energy: 0.6965867444505583 Energy: 0.6555988367502623 Energy: 0.655600194016248 Energy: 0.6058302094758687 Energy: 0.6531153824347146 Energy: 0.6531153892118118 Energy: 0.6282289243242709 Energy: 0.6916464612256561 Energy: 0.6916464657524736 Energy: 0.5936490122046293 Energy: 0.6493804151565533 Energy: 0.6493806035512996 Energy: 0.6084417015776576 Energy: 0.7739755473779943 Energy: 0.7739756482768314 Energy: 0.5817191491927262 Energy: 0.6531153563098415 Energy: 0.6531154450206896 Energy: 0.6058302539096586 Energy: 0.6571532052926871 Energy: 0.6571531687438591 Energy: 0.6524368708928829 Energy: 0.6514100970114243 Energy: 0.6514100448197224 minimum gb energy = 0.5817191491927262 eV minimum distance = 2.51260721701574 Angstroms sigma value = 25 ======================================== theta = 17.49232452511042 ======================================== Energy: 0.6942101416660938 Energy: 0.6689685983201535 Energy: 0.6689684705199507 Energy: 0.5944187775195237 Energy: 0.6906899177619212 Energy: 0.6906876520075578 Energy: 0.6354183351280468 Energy: 0.6815351080497059 Energy: 0.681535108096513 Energy: 0.6088251087425262 Energy: 0.6828141629370782 Energy: 0.6828141734395002 Energy: 0.6511812856543423 Energy: 0.6814131882521363 Energy: 0.6814131892933074 Energy: 0.6571384240264846 Energy: 0.682586562197738 Energy: 0.6825865621973664 Energy: 0.6828367667181174 Energy: 0.6640167412155079 Energy: 0.6640167206573578 Energy: 0.6482556566672323 Energy: 0.6732437631763761 Energy: 0.673243447610723 Energy: 0.6391495595892315 Energy: 0.689105605698834 Energy: 0.6891056288874019 Energy: 0.633724317523101 Energy: 0.6987621782748752 Energy: 0.6987620756275181 minimum gb energy = 0.5944187775195237 eV minimum distance = 2.52492284577726 Angstroms sigma value = 173 ======================================== theta = 18.924644416051233 ======================================== Energy: 0.6519868578665927 Energy: 0.6954661653129094 Energy: 0.695466167986624 Energy: 0.633779845213614 Energy: 0.662136904086329 Energy: 0.6621369051517982 Energy: 0.695977667908776 Energy: 0.7029323805618929 Energy: 0.7029323819549519 Energy: 0.6991033614360531 Energy: 0.6958549946294925 Energy: 0.6958546181537547 Energy: 0.6337798461465981 Energy: 0.633779848438922 Energy: 0.6337799031015086 Energy: 0.6337798960414638 Energy: 0.6619281085888271 Energy: 0.6619281081456027 Energy: 0.6362910013309636 Energy: 0.6780167593736914 Energy: 0.6780168651210657 Energy: 0.6223054313898462 Energy: 0.6850099087015468 Energy: 0.6850099083603015 Energy: 0.6901149306577197 Energy: 0.6963307381021799 Energy: 0.6963307453918696 Energy: 0.6337798695436032 Energy: 0.633819334597971 Energy: 0.6338193784091345 minimum gb energy = 0.6223054313898462 eV minimum distance = 2.4915395200982 Angstroms sigma value = 9 ======================================== theta = 20.609692937532067 ======================================== Energy: 0.6997509067465342 Energy: 0.7153313959920683 Energy: 0.7153314821562888 Energy: 0.6390577093078709 Energy: 0.7980949676648319 Energy: 0.7980950333306072 Energy: 0.6574425371138589 Energy: 0.7142009269826379 Energy: 0.7142009258612833 Energy: 0.6914474205211574 Energy: 0.7404314642413854 Energy: 0.7404311630539201 Energy: 0.6509680121230823 Energy: 0.6729619740532946 Energy: 0.672962575734999 Energy: 0.6854896103971404 Energy: 0.7272346914624884 Energy: 0.7272387837480183 Energy: 0.6496816156770772 Energy: 0.6397361201381077 Energy: 0.6397361185637538 Energy: 0.711205865172097 Energy: 0.7045327727415699 Energy: 0.7045336907924794 Energy: 0.6615843242473144 Energy: 0.6596703283973181 Energy: 0.6596703288634284 Energy: 0.7327200487417622 Energy: 0.7099079617315158 Energy: 0.7099071287894236 minimum gb energy = 0.6390577093078709 eV minimum distance = 2.46780524232608 Angstroms sigma value = 31 ======================================== theta = 22.619864948040426 ======================================== Energy: 0.6656365070670844 Energy: 0.7090428100524853 Energy: 0.7090428098283426 Energy: 0.6201412502326661 Energy: 0.6898187652649583 Energy: 0.6898189919067347 Energy: 0.7347043943300053 Energy: 0.7048972922505586 Energy: 0.7048972922496004 Energy: 0.6602808102794199 Energy: 0.6285186588176008 Energy: 0.6285186588855928 Energy: 0.6561293220695934 Energy: 0.6370466068793899 Energy: 0.6370466114979902 Energy: 0.637069371180202 Energy: 0.6990954095829746 Energy: 0.6990955649800307 Energy: 0.6201412508016038 Energy: 0.7086392446286484 Energy: 0.7086393365029342 Energy: 0.6201412506512243 Energy: 0.6370692484774612 Energy: 0.637069299914422 Energy: 0.6515361756668004 Energy: 0.7018105653643167 Energy: 0.7018105651612555 Energy: 0.6515361747338813 Energy: 0.701810565402625 Energy: 0.7018105652043548 minimum gb energy = 0.6201412502326661 eV minimum distance = 2.51204177173132 Angstroms sigma value = 25 ======================================== theta = 24.189514154024202 ======================================== Energy: 0.6972427537157402 Energy: 0.7381718022258066 Energy: 0.7381718022135212 Energy: 0.7052233353028385 Energy: 0.6949617325706875 Energy: 0.694962128816457 Energy: 0.7052233335566961 Energy: 0.6467365242385454 Energy: 0.6467378064618341 Energy: 0.6668297070999681 Energy: 0.735124686691001 Energy: 0.7351246866875883 Energy: 0.6596590636407381 Energy: 0.7143980360282939 Energy: 0.7143980957536046 Energy: 0.7052233810453582 Energy: 0.6843895969540857 Energy: 0.6843883222437334 Energy: 0.6498060595914743 Energy: 0.726284013385334 Energy: 0.7262838391333418 Energy: 0.6827202773116763 Energy: 0.7338490425545515 Energy: 0.7338497167484063 Energy: 0.6596589857595034 Energy: 0.6990236666966767 Energy: 0.699023760868965 Energy: 0.6364553031491933 Energy: 0.7136219838321346 Energy: 0.7136229616620766 minimum gb energy = 0.6364553031491933 eV minimum distance = 2.50335458021485 Angstroms sigma value = 205 ======================================== theta = 25.057615418303023 ======================================== Energy: 0.6983021087354987 Energy: 0.7522548402945127 Energy: 0.7522547769202693 Energy: 0.6727348602868494 Energy: 0.7696735841528822 Energy: 0.7696736541653441 Energy: 0.6668012319331945 Energy: 0.7273634674474617 Energy: 0.7273613074743689 Energy: 0.6586582265638226 Energy: 0.6752117236333303 Energy: 0.675217404921598 Energy: 0.6506012920490194 Energy: 0.7098525299617707 Energy: 0.709852528015512 Energy: 0.7675417253829679 Energy: 0.7067546280218368 Energy: 0.7067544014704484 Energy: 0.672371763094444 Energy: 0.7187641978712302 Energy: 0.7187641995923463 Energy: 0.6474739672326233 Energy: 0.7164916052924118 Energy: 0.7164916064604754 Energy: 0.7407979569768047 Energy: 0.6685766670514582 Energy: 0.6685766067475493 Energy: 0.6418070670066148 Energy: 0.7235367210614272 Energy: 0.7235367214227252 minimum gb energy = 0.6418070670066148 eV minimum distance = 2.50052921909068 Angstroms sigma value = 85 ======================================== theta = 25.98923358383301 ======================================== Energy: 0.709976280345249 Energy: 0.7486566181774759 Energy: 0.7486566218231661 Energy: 0.6555662783762883 Energy: 0.7276552420043235 Energy: 0.7276550841903284 Energy: 0.6975051085421818 Energy: 0.7208512208056176 Energy: 0.72085122080635 Energy: 0.6477820433254619 Energy: 0.7124836115431389 Energy: 0.7124836796449089 Energy: 0.6378583922174129 Energy: 0.7187339246048501 Energy: 0.7187335062691831 Energy: 0.6905531189519235 Energy: 0.774931673922574 Energy: 0.7742823326360416 Energy: 0.7096949202797951 Energy: 0.7307798071023074 Energy: 0.7307798065667453 Energy: 0.7169221363508245 Energy: 0.7399024997349767 Energy: 0.7399025322191115 Energy: 0.7074881969245764 Energy: 0.6876422792321519 Energy: 0.687642451339253 Energy: 0.6375576225026811 Energy: 0.7116637486655103 Energy: 0.7116639569862696 minimum gb energy = 0.6375576225026811 eV minimum distance = 2.49636541881881 Angstroms sigma value = 89 ======================================== theta = 28.072486935852957 ======================================== Energy: 0.629277176890068 Energy: 0.7322515480382696 Energy: 0.7322517324818454 Energy: 0.8203192274645232 Energy: 0.6215366206579584 Energy: 0.6215366229618743 Energy: 0.8619738486105901 Energy: 0.6887121841956854 Energy: 0.6887121876426713 Energy: 0.6206544761643783 Energy: 0.6913834844409056 Energy: 0.6913835305334445 Energy: 0.7493178934460205 Energy: 0.7433967607678474 Energy: 0.7433969373366535 Energy: 0.6206544219139754 Energy: 0.7026976631926681 Energy: 0.7026975608431254 Energy: 0.7430893132613944 Energy: 0.7322517998983593 Energy: 0.7322519001619292 Energy: 0.6215367824674765 Energy: 0.7026965190276858 Energy: 0.702696588775345 Energy: 0.620654347180639 Energy: 0.7463399008155133 Energy: 0.7463403790528073 Energy: 0.6202307334551389 Energy: 0.6206543562636301 Energy: 0.6206544090535019 minimum gb energy = 0.6202307334551389 eV minimum distance = 2.61142501446795 Angstroms sigma value = 17 ======================================== theta = 29.86283435627511 ======================================== Energy: 0.7143220223258935 Energy: 0.7649452924850837 Energy: 0.764945270242952 Energy: 0.6410677516745346 Energy: 0.7098157985309036 Energy: 0.7098158258129548 Energy: 0.6873679676270545 Energy: 0.7171454377671919 Energy: 0.7171454318309419 Energy: 0.6899964862882865 Energy: 0.7624947479499948 Energy: 0.7624947502412368 Energy: 0.6855704609265244 Energy: 0.763540700688636 Energy: 0.7635394686680158 Energy: 0.7222244019119424 Energy: 0.7323360465006616 Energy: 0.732336050275916 Energy: 0.6877274273634467 Energy: 0.7525755475628064 Energy: 0.7525755460152732 Energy: 0.6423455439527678 Energy: 0.7146518509726354 Energy: 0.7146518768065835 Energy: 0.7129431132811606 Energy: 0.7369205378074501 Energy: 0.7369202806279395 Energy: 0.6639808017058901 Energy: 0.7544819752457104 Energy: 0.7544819725643304 minimum gb energy = 0.6410677516745346 eV minimum distance = 2.50807453629921 Angstroms sigma value = 241 ======================================== theta = 30.510237406115554 ======================================== Energy: 0.7080437429760661 Energy: 0.760176752960685 Energy: 0.7601767614874493 Energy: 0.6649293455916707 Energy: 0.7701498049996062 Energy: 0.7701498052891638 Energy: 0.7720886866926193 Energy: 0.781810844573462 Energy: 0.7818107430516963 Energy: 0.6649293375969212 Energy: 0.7530602832779155 Energy: 0.7530607745717093 Energy: 0.693273757911664 Energy: 0.7555191482856993 Energy: 0.755519198061804 Energy: 0.7789999448466108 Energy: 0.7766529296834295 Energy: 0.7766967866767589 Energy: 0.6940338639784616 Energy: 0.7461211224675238 Energy: 0.7461212836217469 Energy: 0.6742501231230867 Energy: 0.7495372488883825 Energy: 0.7495361215678075 Energy: 0.6406213017598122 Energy: 0.7241308621834294 Energy: 0.7241304201748465 Energy: 0.7617035084075697 Energy: 0.7542059866161843 Energy: 0.7542059866945685 minimum gb energy = 0.6406213017598122 eV minimum distance = 2.51102263242147 Angstroms sigma value = 65 ======================================== theta = 31.890791801845708 ======================================== Energy: 0.6946099448061721 Energy: 0.7595724760015511 Energy: 0.7595724963159337 Energy: 0.6397368917692838 Energy: 0.6397342036332941 Energy: 0.6397340115291127 Energy: 0.666607863506049 Energy: 0.6988807619654146 Energy: 0.6988807631870488 Energy: 0.7323629405195602 Energy: 0.6788266498035305 Energy: 0.6788266140156938 Energy: 0.8300491843151654 Energy: 0.71308769115162 Energy: 0.7130876137769969 Energy: 0.8146262909949623 Energy: 0.7764428888214757 Energy: 0.7764428888858768 Energy: 0.6397369187923129 Energy: 0.7181028357664497 Energy: 0.7181028250561305 Energy: 0.6890263871575053 Energy: 0.7334218360855863 Energy: 0.733421835709889 Energy: 0.6872344721193014 Energy: 0.7428690817933141 Energy: 0.742869133650321 Energy: 0.639736891072253 Energy: 0.7483460298021393 Energy: 0.7483461523586503 minimum gb energy = 0.6397340115291127 eV minimum distance = 2.52588108551252 Angstroms sigma value = 53 ======================================== theta = 33.39848846798724 ======================================== Energy: 0.704571379729808 Energy: 0.770686703821868 Energy: 0.7706867520780387 Energy: 0.8144597925270834 Energy: 0.762974462905222 Energy: 0.7629742643442021 Energy: 0.6868764479395124 Energy: 0.7219196257924713 Energy: 0.7219198405940322 Energy: 0.6495706872913559 Energy: 0.7570600589117308 Energy: 0.7570601460465788 Energy: 0.9069817090339404 Energy: 0.7431106430337985 Energy: 0.7431106768897326 Energy: 0.6495706843881891 Energy: 0.7735596951506774 Energy: 0.7735596884284354 Energy: 0.6909520728606291 Energy: 0.7318109815201995 Energy: 0.7318110356785811 Energy: 0.7282058007458635 Energy: 0.6963441451320288 Energy: 0.6963444016438504 Energy: 0.6955927235053164 Energy: 0.7688049695103565 Energy: 0.7688050018473569 Energy: 0.8238433781235173 Energy: 0.73712152511352 Energy: 0.737121829396382 minimum gb energy = 0.6495706843881891 eV minimum distance = 2.52524916288496 Angstroms sigma value = 109 ======================================== theta = 34.20545793810475 ======================================== Energy: 0.7643206931682441 Energy: 0.7496927964684792 Energy: 0.749692876065817 Energy: 0.6652884998476746 Energy: 0.7180948243523247 Energy: 0.7180946950266578 Energy: 0.6919699798502197 Energy: 0.7117981719866582 Energy: 0.7117975860420429 Energy: 0.6938068171267999 Energy: 0.7562318319974463 Energy: 0.7562317242396536 Energy: 0.8403124599280494 Energy: 0.7334559900120814 Energy: 0.7334588257298887 Energy: 0.6938068653172118 Energy: 0.7562320767206233 Energy: 0.7562322437664424 Energy: 0.6919699710166015 Energy: 0.711796514257661 Energy: 0.7117969688330854 Energy: 0.6652886715320325 Energy: 0.718094344568703 Energy: 0.7180946409710832 Energy: 0.7643120138195342 Energy: 0.7496927926698316 Energy: 0.749692798570885 Energy: 0.6652872162587344 Energy: 0.7098974953112472 Energy: 0.7098976967726496 minimum gb energy = 0.6652872162587344 eV minimum distance = 2.49324253764988 Angstroms sigma value = 185 ======================================== theta = 36.86989764584402 ======================================== Energy: 0.6017297003777705 Energy: 0.7454866831470995 Energy: 0.7454866833417153 Energy: 0.731736011311875 Energy: 0.6304058542638332 Energy: 0.6304057213661758 Energy: 0.6089947937948136 Energy: 0.6305302539056143 Energy: 0.6305303121989959 Energy: 0.7452819888326301 Energy: 0.6304058096124888 Energy: 0.6304057415829419 Energy: 0.6017297034558404 Energy: 0.7454866842560094 Energy: 0.7454867239111135 Energy: 0.7760522752344292 Energy: 0.6304062225962059 Energy: 0.6304058975854197 Energy: 0.6089946360100312 Energy: 0.6305302661483981 Energy: 0.6305302570871726 Energy: 0.7452820200535143 Energy: 0.6922695262856107 Energy: 0.6922696329926171 Energy: 0.6017297152677091 Energy: 0.7454866833031222 Energy: 0.7454866969930233 Energy: 0.7760522752514257 Energy: 0.6495426877752556 Energy: 0.6495426879621458 minimum gb energy = 0.6017297003777705 eV minimum distance = 2.57439076638803 Angstroms sigma value = 9 ======================================== theta = 39.30764811610662 ======================================== Energy: 0.7411735905850987 Energy: 0.7644099806413472 Energy: 0.7644099751982606 Energy: 0.8444999463750832 Energy: 0.7419144875496695 Energy: 0.7419162356785074 Energy: 0.6882282420267999 Energy: 0.7442298053233402 Energy: 0.7442300286723366 Energy: 0.687970516846189 Energy: 0.7481115958640393 Energy: 0.7481117112238191 Energy: 0.6897155695149814 Energy: 0.7739568283111872 Energy: 0.7739553105333137 Energy: 0.6958504586813974 Energy: 0.7413606394329533 Energy: 0.7413606394339393 Energy: 0.8840355567645812 Energy: 0.7665744066195054 Energy: 0.7665742216825945 Energy: 0.7377818461315002 Energy: 0.7466791202166866 Energy: 0.746679120214386 Energy: 0.8537244103996611 Energy: 0.6991609361105847 Energy: 0.6991617584415232 Energy: 0.6861296460761732 Energy: 0.7387894922258105 Energy: 0.7387894922258105 minimum gb energy = 0.6861296460761732 eV minimum distance = 2.49846858710063 Angstroms sigma value = 221 ======================================== theta = 39.96621304379996 ======================================== Energy: 0.7657724917919448 Energy: 0.7601625622454472 Energy: 0.7601640326676998 Energy: 0.6671405331697671 Energy: 0.7223714451444292 Energy: 0.7223711754427293 Energy: 0.6573170321414333 Energy: 0.7169938396337044 Energy: 0.7169976084498882 Energy: 0.6423470517375238 Energy: 0.736944079234333 Energy: 0.7369434028543448 Energy: 0.7050160976107692 Energy: 0.756635121807576 Energy: 0.7566351167448987 Energy: 0.8081511184032761 Energy: 0.731419878569239 Energy: 0.7314196190525512 Energy: 0.8940768739950138 Energy: 0.6648006541024911 Energy: 0.6647999767373407 Energy: 0.8726251252906901 Energy: 0.6757601512591661 Energy: 0.6757601601523232 Energy: 0.827607430542122 Energy: 0.7175597259460044 Energy: 0.7175578921712507 Energy: 0.7773989782473872 Energy: 0.7239467915811117 Energy: 0.7239465169991033 minimum gb energy = 0.6423470517375238 eV minimum distance = 2.47642153683831 Angstroms sigma value = 137 ======================================== theta = 41.112090439166934 ======================================== Energy: 0.6885718075863619 Energy: 0.7604904501782058 Energy: 0.7604904498946845 Energy: 0.834752497659557 Energy: 0.6523697043272496 Energy: 0.6523686592177202 Energy: 0.754555722769236 Energy: 0.7670014496074355 Energy: 0.7669997483232862 Energy: 0.6523688520263146 Energy: 0.7580358695238816 Energy: 0.7580358586418866 Energy: 0.7441325686860177 Energy: 0.7670019175641551 Energy: 0.7670019228648088 Energy: 0.6523682430260687 Energy: 0.7251940870244664 Energy: 0.7251954267538967 Energy: 0.8776042306590407 Energy: 0.7874348032478514 Energy: 0.7874348109098908 Energy: 0.6523680061498761 Energy: 0.7102890699121719 Energy: 0.710287150661138 Energy: 0.799872416208032 Energy: 0.7169731545993371 Energy: 0.7169724973763617 Energy: 0.6680106960429363 Energy: 0.7169736565573395 Energy: 0.7169707476711193 minimum gb energy = 0.6523680061498761 eV minimum distance = 2.50018898520668 Angstroms sigma value = 73 ======================================== theta = 42.075022050843636 ======================================== Energy: 0.7783490019108557 Energy: 0.7640052134080453 Energy: 0.7640052114896623 Energy: 0.6944283864109954 Energy: 0.7545750507825806 Energy: 0.7545733601157417 Energy: 0.6854158408277901 Energy: 0.7240081563495362 Energy: 0.724007241605454 Energy: 0.691781763717111 Energy: 0.7485708773188667 Energy: 0.7485708773181651 Energy: 0.7117969373039051 Energy: 0.7556913992889774 Energy: 0.7556913998282895 Energy: 0.6577199147807086 Energy: 0.66982532032271 Energy: 0.6698263589434882 Energy: 0.6696872587156106 Energy: 0.7546477949805438 Energy: 0.7546476896562323 Energy: 0.6894395383561814 Energy: 0.7102368565021311 Energy: 0.7102374600522383 Energy: 0.6982395601152989 Energy: 0.6698280577250103 Energy: 0.6698249234403434 Energy: 0.671000621996309 Energy: 0.748667464647669 Energy: 0.7486673254609661 minimum gb energy = 0.6577199147807086 eV minimum distance = 2.52524201432375 Angstroms sigma value = 97 ======================================== theta = 43.60281897270362 ======================================== Energy: 0.7584899122600887 Energy: 0.7471725422870545 Energy: 0.7471725426017745 Energy: 0.6465233056575724 Energy: 0.7083645900411523 Energy: 0.7083646006875792 Energy: 0.6714212464223006 Energy: 0.7319691881654904 Energy: 0.7319678622830358 Energy: 0.6651363386379265 Energy: 0.6895496783065893 Energy: 0.6895497755028926 Energy: 0.8500512522805036 Energy: 0.7159306882152915 Energy: 0.7159298624969346 Energy: 0.7619729521510367 Energy: 0.6974292364957438 Energy: 0.6974292385553833 Energy: 0.8235854871182128 Energy: 0.7058742471466579 Energy: 0.7058742483084324 Energy: 0.7206633517935791 Energy: 0.7386178702130002 Energy: 0.7386179819854599 Energy: 0.6964216829466571 Energy: 0.7114868961679466 Energy: 0.7114869321557139 Energy: 0.6505245858045239 Energy: 0.7853610925205499 Energy: 0.7853610806398034 minimum gb energy = 0.6465233056575724 eV minimum distance = 2.50849001858657 Angstroms sigma value = 7 ======================================== theta = 45.23972989608085 ======================================== Energy: 0.725154227435117 Energy: 0.7430171874969265 Energy: 0.7430171875957082 Energy: 0.6907270433023375 Energy: 0.7701953712576675 Energy: 0.7701955086173715 Energy: 0.8116365148285161 Energy: 0.6649817048327854 Energy: 0.6649807971278779 Energy: 0.6625399866390997 Energy: 0.7254606140778674 Energy: 0.7254613185802451 Energy: 0.6876036111732965 Energy: 0.7647880211423045 Energy: 0.7647880656674214 Energy: 0.6649802841377255 Energy: 0.7741449984563278 Energy: 0.7741307619496066 Energy: 0.6699317336717143 Energy: 0.7362712691102987 Energy: 0.7362713999108103 Energy: 0.875350679765329 Energy: 0.6874910895108945 Energy: 0.6874918886736633 Energy: 0.6699764734881041 Energy: 0.7588806917757593 Energy: 0.7588786875854033 Energy: 0.664981260814559 Energy: 0.7511514719918563 Energy: 0.7511518466038386 minimum gb energy = 0.6625399866390997 eV minimum distance = 2.49643094287353 Angstroms sigma value = 169 ======================================== theta = 46.39718102729638 ======================================== Energy: 0.7306297995349361 Energy: 0.7466485718916039 Energy: 0.7466485721237682 Energy: 0.6757460332797093 Energy: 0.7395228949552524 Energy: 0.7395229164219428 Energy: 0.7593018004333544 Energy: 0.7052082256208391 Energy: 0.705208184981367 Energy: 0.7131893082677433 Energy: 0.742864849130309 Energy: 0.7428630443974251 Energy: 0.6863997737717039 Energy: 0.7052076758640791 Energy: 0.7052077764504785 Energy: 0.8868638267407798 Energy: 0.6750815969410285 Energy: 0.6750782986531636 Energy: 0.6741506982851707 Energy: 0.7514139259459172 Energy: 0.7514139252552278 Energy: 0.6831177158766938 Energy: 0.7593469668431956 Energy: 0.759346966557197 Energy: 0.8234982275395016 Energy: 0.6685283610517638 Energy: 0.668528556538828 Energy: 0.7123413552210637 Energy: 0.718081223179824 Energy: 0.7180814169719815 minimum gb energy = 0.6685283610517638 eV minimum distance = 2.51753252564592 Angstroms sigma value = 29 ======================================== theta = 47.92497794915637 ======================================== Energy: 0.7462123921424331 Energy: 0.7500651142439487 Energy: 0.7500651097710159 Energy: 0.7130720800068715 Energy: 0.7238577118543305 Energy: 0.7238574785731205 Energy: 0.7139389755707363 Energy: 0.6970195648485746 Energy: 0.6970195679325334 Energy: 0.7014848993136381 Energy: 0.7612486679032076 Energy: 0.7612486663619725 Energy: 0.7109772748392943 Energy: 0.7801712078454345 Energy: 0.7801700184847083 Energy: 0.7505771056504077 Energy: 0.69860469834292 Energy: 0.6986045264058742 Energy: 0.6915023355037297 Energy: 0.7158383355688814 Energy: 0.7158383421910107 Energy: 0.6865293898153937 Energy: 0.8028056876393103 Energy: 0.8028065041673385 Energy: 0.6826522781664863 Energy: 0.7575484953426604 Energy: 0.757548498444434 Energy: 0.7654280329958666 Energy: 0.7309313010608981 Energy: 0.7309313031282358 minimum gb energy = 0.6826522781664863 eV minimum distance = 2.5138366391906 Angstroms sigma value = 97 ======================================== theta = 48.88790956083307 ======================================== Energy: 0.7094097317685305 Energy: 0.7404310623011714 Energy: 0.7404311420079742 Energy: 0.6699561868838908 Energy: 0.7470959743886345 Energy: 0.7470961237320238 Energy: 0.6749918984327269 Energy: 0.7571695510220712 Energy: 0.7571695638404248 Energy: 0.7044112005387823 Energy: 0.7614434959810279 Energy: 0.7614434889241104 Energy: 0.7517288077434269 Energy: 0.6844887858500165 Energy: 0.6844891969740211 Energy: 0.7337874275813244 Energy: 0.7033012978367996 Energy: 0.7033035322985861 Energy: 0.6981732265027636 Energy: 0.7295003362269206 Energy: 0.7295004544296267 Energy: 0.6986483829243219 Energy: 0.7142201010034883 Energy: 0.7142200992791637 Energy: 0.6801249640829229 Energy: 0.8123514517639765 Energy: 0.812352178846165 Energy: 0.6973999385646383 Energy: 0.7216867546330575 Energy: 0.7216868067476343 minimum gb energy = 0.6699561868838908 eV minimum distance = 2.50426310372284 Angstroms sigma value = 73 ======================================== theta = 49.55028113766384 ======================================== Energy: 0.7271655061384886 Energy: 0.7476650964270699 Energy: 0.7474638912004807 Energy: 0.7467293903784336 Energy: 0.7199128719959502 Energy: 0.7199128719935615 Energy: 0.6952782934197409 Energy: 0.738872175888987 Energy: 0.738872002782455 Energy: 0.8103613435139512 Energy: 0.6984141568138882 Energy: 0.6984110336671798 Energy: 0.6742444778145251 Energy: 0.7416055951334746 Energy: 0.7416055967823887 Energy: 0.7019826493780786 Energy: 0.7401651667243404 Energy: 0.7401625238142429 Energy: 0.6886039322375309 Energy: 0.7851182545811912 Energy: 0.7851182557123183 Energy: 0.7087359517175034 Energy: 0.7419522247295289 Energy: 0.7419392868711595 Energy: 0.69787489942709 Energy: 0.7551619937470755 Energy: 0.7548537932312998 Energy: 0.682199161013046 Energy: 0.7524173908289896 Energy: 0.752417453983452 minimum gb energy = 0.6742444778145251 eV minimum distance = 2.48795458951994 Angstroms sigma value = 205 ======================================== theta = 50.033786956200046 ======================================== Energy: 0.722311737193029 Energy: 0.7379511104788387 Energy: 0.737951130258707 Energy: 0.7012641417033876 Energy: 0.745070189652601 Energy: 0.7450699269922465 Energy: 0.6876793401782159 Energy: 0.749740944998386 Energy: 0.7497409028032426 Energy: 0.6788887201779499 Energy: 0.7574388395184514 Energy: 0.7574388825359167 Energy: 0.7085449163230506 Energy: 0.7318277189148755 Energy: 0.7318276421696273 Energy: 0.7279211655626704 Energy: 0.6988667207509375 Energy: 0.698866849697122 Energy: 0.7632977054320302 Energy: 0.6988669005765041 Energy: 0.6988670250470398 Energy: 0.8425344993207958 Energy: 0.7183877170242499 Energy: 0.718385227423115 Energy: 0.7803644033579551 Energy: 0.7183873210087731 Energy: 0.71838898108098 Energy: 0.6835330071369807 Energy: 0.7206961638115799 Energy: 0.7206948072627439 minimum gb energy = 0.6788887201779499 eV minimum distance = 2.47915535400037 Angstroms sigma value = 137 ======================================== theta = 53.13010235415598 ======================================== Energy: 0.6493718764963815 Energy: 0.7133376749773341 Energy: 0.713337674231208 Energy: 0.6719640740834313 Energy: 0.687985549551629 Energy: 0.6879858682786505 Energy: 0.6589731444781892 Energy: 0.6905552852703907 Energy: 0.6905552850351653 Energy: 0.6493715895007778 Energy: 0.6853748407356521 Energy: 0.6853748408437669 Energy: 0.6493715892546019 Energy: 0.6879855344954896 Energy: 0.6879855368338632 Energy: 0.6855232301181297 Energy: 0.6882428892197333 Energy: 0.6882427334599911 Energy: 0.6719640564982404 Energy: 0.7145679895355739 Energy: 0.7145685803027748 Energy: 0.6967487739675795 Energy: 0.6905150774652609 Energy: 0.6905150804540862 Energy: 0.7199399800191341 Energy: 0.6905150777795735 Energy: 0.690515077489943 Energy: 0.6719642719891448 Energy: 0.6932009565906633 Energy: 0.6932009626438748 minimum gb energy = 0.6493715892546019 eV minimum distance = 2.56167551081036 Angstroms sigma value = 5 ======================================== theta = 56.144973871705915 ======================================== Energy: 0.7123948818135251 Energy: 0.7689057679232225 Energy: 0.7689059597404816 Energy: 0.6893052349761097 Energy: 0.7644269351243139 Energy: 0.7644269351225893 Energy: 0.6607755432783774 Energy: 0.7268183066473035 Energy: 0.7268182435164567 Energy: 0.658064421150279 Energy: 0.7142576018864428 Energy: 0.7142566878634974 Energy: 0.7176449779117244 Energy: 0.6812534819733029 Energy: 0.6812537167880491 Energy: 0.7695568961390549 Energy: 0.6792465205803796 Energy: 0.6792465219148399 Energy: 0.6585201237590553 Energy: 0.7135529938225874 Energy: 0.7135529820016981 Energy: 0.6604679061273473 Energy: 0.7314690886347386 Energy: 0.7314696213473663 Energy: 0.6604679018774398 Energy: 0.7676415305146933 Energy: 0.7676407161367459 Energy: 0.655360305535243 Energy: 0.7663514563541826 Energy: 0.7663514500806101 minimum gb energy = 0.655360305535243 eV minimum distance = 2.56056526279861 Angstroms sigma value = 289 ======================================== theta = 56.60151153201276 ======================================== Energy: 0.7052679814963925 Energy: 0.7743606348128894 Energy: 0.7743606008229508 Energy: 0.6630376434986854 Energy: 0.7364876974422109 Energy: 0.7364876974494914 Energy: 0.6870655407771901 Energy: 0.6767999845958848 Energy: 0.676799997966148 Energy: 0.6538773458424088 Energy: 0.7663836060006243 Energy: 0.7663835658508452 Energy: 0.6546136894650355 Energy: 0.7670915219970686 Energy: 0.7670915250194521 Energy: 0.6902116659524125 Energy: 0.6964915623396057 Energy: 0.6964920462302377 Energy: 0.6522119052808361 Energy: 0.726087279268776 Energy: 0.7255904604157588 Energy: 0.6636579104534983 Energy: 0.7504999629016691 Energy: 0.7504976462320823 Energy: 0.6654974291359992 Energy: 0.6957878169826542 Energy: 0.6957849817864912 Energy: 0.6940187035379678 Energy: 0.6833225696930996 Energy: 0.6833211275024679 minimum gb energy = 0.6522119052808361 eV minimum distance = 2.52536719497645 Angstroms sigma value = 109 ======================================== theta = 57.22091933193044 ======================================== Energy: 0.6958625444097905 Energy: 0.7837088525581858 Energy: 0.7837082341781577 Energy: 0.6541100897117502 Energy: 0.7038387627718512 Energy: 0.7038387616551264 Energy: 0.6612052850374931 Energy: 0.6848740663457281 Energy: 0.6848736529520175 Energy: 0.6889447201998188 Energy: 0.780200501920593 Energy: 0.7801997954502181 Energy: 0.6511537904194387 Energy: 0.7295141378678649 Energy: 0.7295152243147889 Energy: 0.7128438717586697 Energy: 0.6860860285625452 Energy: 0.6860827277533167 Energy: 0.6612230836719327 Energy: 0.7419384889550004 Energy: 0.7419378864079266 Energy: 0.649964661050884 Energy: 0.7753216398014875 Energy: 0.7753219186830085 Energy: 0.748489805536107 Energy: 0.6889446144640775 Energy: 0.688944974229647 Energy: 0.6481091032193518 Energy: 0.7517180102196469 Energy: 0.7517180075932997 minimum gb energy = 0.6481091032193518 eV minimum distance = 2.52874440583425 Angstroms sigma value = 157 ======================================== theta = 58.10920819815429 ======================================== Energy: 0.6826449986223387 Energy: 0.7752179161325179 Energy: 0.7752170544732561 Energy: 0.642282772700842 Energy: 0.7936044181898338 Energy: 0.7936040935954676 Energy: 0.6540908992983808 Energy: 0.7486139553822765 Energy: 0.7486144471143269 Energy: 0.6422827713531579 Energy: 0.6905887302040763 Energy: 0.6905896500976565 Energy: 0.7370515792311053 Energy: 0.7101438556342805 Energy: 0.7101438188984918 Energy: 0.8831973653107761 Energy: 0.6444414402897946 Energy: 0.6444415197935058 Energy: 0.6996431186410704 Energy: 0.6575618154919272 Energy: 0.657562703793305 Energy: 0.6406076114925413 Energy: 0.6854130170882289 Energy: 0.6850309746611717 Energy: 0.642284183388655 Energy: 0.723093396193558 Energy: 0.7230933962087446 Energy: 0.648925411924798 Energy: 0.7265254962468474 Energy: 0.7265253318780698 minimum gb energy = 0.6406076114925413 eV minimum distance = 2.52281541257485 Angstroms sigma value = 53 ======================================== theta = 59.48976259388444 ======================================== Energy: 0.6644864821465138 Energy: 0.7648891980716731 Energy: 0.7648892002033951 Energy: 0.7417316097410634 Energy: 0.6552619150144384 Energy: 0.6552622722198108 Energy: 0.6350002573706772 Energy: 0.79937791188672 Energy: 0.7993779142874451 Energy: 0.8448250442028524 Energy: 0.6321536114792535 Energy: 0.6321536115125862 Energy: 0.6460649530436585 Energy: 0.7386273154838163 Energy: 0.7386272946958975 Energy: 0.8247977164417747 Energy: 0.6863140053476013 Energy: 0.6863140053469953 Energy: 0.6373184656535783 Energy: 0.7395304422555753 Energy: 0.7395304895742497 Energy: 0.6743166587504631 Energy: 0.6955532464780696 Energy: 0.6955556833499044 Energy: 0.6373182018461574 Energy: 0.7643531996897697 Energy: 0.7643531935180979 Energy: 0.7631376025134331 Energy: 0.6538050418861096 Energy: 0.6538050419812316 minimum gb energy = 0.6321536114792535 eV minimum distance = 2.54764408101654 Angstroms sigma value = 1 ======================================== theta = 60.512874327058526 ======================================== Energy: 0.7048687015255362 Energy: 0.7904422989156571 Energy: 0.7904422989146018 Energy: 0.6622467087328279 Energy: 0.680840622265463 Energy: 0.6808377456986872 Energy: 0.63148455639466 Energy: 0.723959744845798 Energy: 0.7239597156945359 Energy: 0.6668962530515337 Energy: 0.7519693904551679 Energy: 0.751969358596596 Energy: 0.7237776756203044 Energy: 0.6392344788444599 Energy: 0.6392363369071117 Energy: 0.634595874380388 Energy: 0.7910983599007035 Energy: 0.791100262483868 Energy: 0.7392208993800022 Energy: 0.6534768003109913 Energy: 0.6534768039253314 Energy: 0.6287501016342113 Energy: 0.774808959104112 Energy: 0.7748089542104717 Energy: 0.6320249198243478 Energy: 0.7630333707659234 Energy: 0.7630333741035951 Energy: 0.6799482721301318 Energy: 0.6675785855726049 Energy: 0.6675785985224688 minimum gb energy = 0.6287501016342113 eV minimum distance = 2.50886021125485 Angstroms sigma value = 3 ======================================== theta = 61.92751306414704 ======================================== Energy: 0.7518734873340803 Energy: 0.7839422638522092 Energy: 0.783942338551936 Energy: 0.6260236409353077 Energy: 0.7814643603551537 Energy: 0.781464392692874 Energy: 0.611401048814097 Energy: 0.7853859620268383 Energy: 0.7853859774460452 Energy: 0.6260234219973707 Energy: 0.7165482127454108 Energy: 0.7165482293179788 Energy: 0.680109656200175 Energy: 0.6530201445550355 Energy: 0.6530203395093825 Energy: 0.7761616560880589 Energy: 0.6313493087968536 Energy: 0.6313493099418348 Energy: 0.670923429663989 Energy: 0.6385411854488411 Energy: 0.6385436845542714 Energy: 0.7265642451228759 Energy: 0.6959923903236258 Energy: 0.6959923917902517 Energy: 0.6261979447826149 Energy: 0.7565185575538234 Energy: 0.7565175229772317 Energy: 0.6149077118133314 Energy: 0.8007314205134921 Energy: 0.8007314205134921 minimum gb energy = 0.611401048814097 eV minimum distance = 2.48174975543684 Angstroms sigma value = 17 ======================================== theta = 63.2150044924978 ======================================== Energy: 0.7051611264737858 Energy: 0.7450409243937521 Energy: 0.7450409244049558 Energy: 0.6207153704736068 Energy: 0.7360929906983876 Energy: 0.7361127262951905 Energy: 0.6347015421522514 Energy: 0.713345762159222 Energy: 0.713345684116558 Energy: 0.7078396622985278 Energy: 0.7221847220489251 Energy: 0.72216869483065 Energy: 0.732798711753401 Energy: 0.626873033968938 Energy: 0.6268730325764715 Energy: 0.6629614925651574 Energy: 0.697747609257341 Energy: 0.6977479174198725 Energy: 0.6994047481064921 Energy: 0.6780598378334334 Energy: 0.6780598378235103 Energy: 0.6257426039452538 Energy: 0.7101920934575854 Energy: 0.7101920920996606 Energy: 0.6227763204323907 Energy: 0.809255649860298 Energy: 0.8092557992175201 Energy: 0.6225681623679835 Energy: 0.8269448870271457 Energy: 0.8269458189729085 minimum gb energy = 0.6207153704736068 eV minimum distance = 2.52033092510597 Angstroms sigma value = 233 ======================================== theta = 64.01076641616699 ======================================== Energy: 0.6648909734121085 Energy: 0.7869061811013331 Energy: 0.7869062058586664 Energy: 0.62700063073776 Energy: 0.6900420693931721 Energy: 0.6900420693729731 Energy: 0.6592421793578623 Energy: 0.6399170000966588 Energy: 0.639916151268148 Energy: 0.6520870332964438 Energy: 0.6855315168048358 Energy: 0.6855315173385842 Energy: 0.6267054923814062 Energy: 0.6812369444874611 Energy: 0.6812369444895328 Energy: 0.6218514886115774 Energy: 0.7362565207448722 Energy: 0.7362565199781506 Energy: 0.6273639098289029 Energy: 0.6627786677074679 Energy: 0.6627789728624772 Energy: 0.7190890332330477 Energy: 0.6447063723845721 Energy: 0.6447063739511159 Energy: 0.6304926276398194 Energy: 0.6454869497175542 Energy: 0.6454888661465932 Energy: 0.6284900147693097 Energy: 0.7952557126754841 Energy: 0.7952557101164962 minimum gb energy = 0.6218514886115774 eV minimum distance = 2.46308269572113 Angstroms sigma value = 89 ======================================== theta = 64.94238458169698 ======================================== Energy: 0.6853105801541943 Energy: 0.770092783529013 Energy: 0.7700927832139858 Energy: 0.6664527026626949 Energy: 0.6729556622689744 Energy: 0.6729546396298246 Energy: 0.6223047740662971 Energy: 0.8296979366584327 Energy: 0.8296979964870643 Energy: 0.6955177424054332 Energy: 0.616868707776458 Energy: 0.6168687049303794 Energy: 0.6135947435492067 Energy: 0.7965115558253748 Energy: 0.7965115235941083 Energy: 0.7680529313417583 Energy: 0.6523743464697298 Energy: 0.6523743305454737 Energy: 0.6126262595510569 Energy: 0.7581239949709572 Energy: 0.7742190640694813 Energy: 0.7774277414534873 Energy: 0.6645810066362475 Energy: 0.6645810012737328 Energy: 0.6144244069224808 Energy: 0.7544043479663624 Energy: 0.7544047029851694 Energy: 0.7502480061870772 Energy: 0.6698796628129939 Energy: 0.6698779172813005 minimum gb energy = 0.6126262595510569 eV minimum distance = 2.50948907412039 Angstroms sigma value = 85 ======================================== theta = 65.4704525442152 ======================================== Energy: 0.6734251901649877 Energy: 0.8181843715822595 Energy: 0.8181844865321012 Energy: 0.6209248477608124 Energy: 0.7524104818407953 Energy: 0.7524080015279151 Energy: 0.6247359255321123 Energy: 0.6808973475701194 Energy: 0.6808973475712936 Energy: 0.7333521766553355 Energy: 0.6310491352986616 Energy: 0.6310484973361504 Energy: 0.6264768372023516 Energy: 0.6779216395296567 Energy: 0.6779216395290696 Energy: 0.6158892236149835 Energy: 0.7553290942845147 Energy: 0.7553290949626813 Energy: 0.6194248828382779 Energy: 0.7171324833257555 Energy: 0.7171325797032778 Energy: 0.6138928810510992 Energy: 0.7276113409607181 Energy: 0.7276113409618924 Energy: 0.6338685102656733 Energy: 0.6640244648494774 Energy: 0.6640249279173623 Energy: 0.7020827444499373 Energy: 0.6608993877380107 Energy: 0.6608993965350151 minimum gb energy = 0.6138928810510992 eV minimum distance = 2.48758650617684 Angstroms sigma value = 69 ======================================== theta = 67.38013505195957 ======================================== Energy: 0.5807348566260736 Energy: 0.734360812155486 Energy: 0.7343608139516361 Energy: 0.617727671802676 Energy: 0.7035390729156689 Energy: 0.703539077317989 Energy: 0.6080060344888963 Energy: 0.5951010020569979 Energy: 0.5951010013553297 Energy: 0.5899404637660163 Energy: 0.7280643697997585 Energy: 0.7280643719264308 Energy: 0.589940361076451 Energy: 0.5951010000238015 Energy: 0.5951010062900147 Energy: 0.6532924352953985 Energy: 0.5899404064177993 Energy: 0.5899404122722115 Energy: 0.5899404467025593 Energy: 0.6694153732626157 Energy: 0.6694153631209802 Energy: 0.5807348538465036 Energy: 0.6667308133094367 Energy: 0.6667308140558101 Energy: 0.7367780770846717 Energy: 0.5951009990160041 Energy: 0.5951010054461155 Energy: 0.589940338713923 Energy: 0.7539700614733827 Energy: 0.7539700613487537 minimum gb energy = 0.5807348538465036 eV minimum distance = 2.54041099904346 Angstroms sigma value = 13 ======================================== theta = 69.39030706246794 ======================================== Energy: 0.677568655313535 Energy: 0.8364644844228721 Energy: 0.8364646124938387 Energy: 0.5874819283445772 Energy: 0.8056022106674451 Energy: 0.8056022221139192 Energy: 0.5889359478860369 Energy: 0.7330103078350716 Energy: 0.7330103078347624 Energy: 0.5856378805209635 Energy: 0.7082796432999704 Energy: 0.7082796457408225 Energy: 0.5846220118678191 Energy: 0.6662681061527803 Energy: 0.6662676293796274 Energy: 0.586882452240125 Energy: 0.7301890668089438 Energy: 0.7301877543767121 Energy: 0.5964025262207155 Energy: 0.6328776132358085 Energy: 0.6328776090225825 Energy: 0.7334294081379198 Energy: 0.6314498883645171 Energy: 0.6314494141569784 Energy: 0.6874882019045638 Energy: 0.6603186043038505 Energy: 0.6603186042982879 Energy: 0.6964035318444681 Energy: 0.6218587180245595 Energy: 0.6218588615628156 minimum gb energy = 0.5846220118678191 eV minimum distance = 2.39612720593455 Angstroms sigma value = 125 ======================================== theta = 69.98404039711733 ======================================== Energy: 0.6267442398362 Energy: 0.7609302668871264 Energy: 0.7609302714199736 Energy: 0.6048712856410603 Energy: 0.61002745130166 Energy: 0.6100274408188049 Energy: 0.6113353183096224 Energy: 0.6687925025655733 Energy: 0.6687924662964815 Energy: 0.5718406929707374 Energy: 0.747914058110536 Energy: 0.7479136357386257 Energy: 0.6869961267003429 Energy: 0.5769024900524417 Energy: 0.5769018066345751 Energy: 0.6052104798466705 Energy: 0.7538603184594647 Energy: 0.753860318225406 Energy: 0.5776616884949096 Energy: 0.7108763345914085 Energy: 0.7108765120909856 Energy: 0.7518103474926104 Energy: 0.5779089464696806 Energy: 0.5779088992324038 Energy: 0.581474293843848 Energy: 0.7843322649097134 Energy: 0.7843322816366601 Energy: 0.5782721131448074 Energy: 0.6689274266750926 Energy: 0.6689264835852723 minimum gb energy = 0.5718406929707374 eV minimum distance = 2.48752141757752 Angstroms sigma value = 37 ======================================== theta = 71.07535558394876 ======================================== Energy: 0.5806459293375859 Energy: 0.7914799283725052 Energy: 0.7915037684879336 Energy: 0.5700431523406632 Energy: 0.6244440152735408 Energy: 0.624444015333723 Energy: 0.6592500393018286 Energy: 0.5693357751131025 Energy: 0.5693364863645489 Energy: 0.5671796691927601 Energy: 0.771768231238571 Energy: 0.7717677594609471 Energy: 0.6341992379407753 Energy: 0.6525377849198271 Energy: 0.6525377849703532 Energy: 0.5645418563167284 Energy: 0.569335843605641 Energy: 0.5693365040345709 Energy: 0.5703012387615709 Energy: 0.7491483423609855 Energy: 0.7491483243690364 Energy: 0.7146947976040747 Energy: 0.6529753749041726 Energy: 0.6529753748388784 Energy: 0.5646745191150832 Energy: 0.564763089716508 Energy: 0.5647645255484554 Energy: 0.5703003142571282 Energy: 0.7800957046557747 Energy: 0.7800937616806253 minimum gb energy = 0.5645418563167284 eV minimum distance = 2.48432803292115 Angstroms sigma value = 37 ======================================== theta = 72.05474677020722 ======================================== Energy: 0.6605216637861278 Energy: 0.7993450639704125 Energy: 0.7993452199663954 Energy: 0.5478344151780749 Energy: 0.5575817721280516 Energy: 0.5575817759809436 Energy: 0.5494001553882776 Energy: 0.72664740446021 Energy: 0.7266474630168017 Energy: 0.5514553483728167 Energy: 0.7413728144513034 Energy: 0.7413728108806721 Energy: 0.5628547430163333 Energy: 0.5973678103277363 Energy: 0.5973675564201317 Energy: 0.6572870330050167 Energy: 0.6469409218666626 Energy: 0.6469406073977725 Energy: 0.5540483138986094 Energy: 0.7859592413489564 Energy: 0.785959173319243 Energy: 0.7148729492252437 Energy: 0.5526579954344061 Energy: 0.5526604095934137 Energy: 0.5583717182073075 Energy: 0.7284617178363719 Energy: 0.7284629308092054 Energy: 0.549918336663984 Energy: 0.7149528368443787 Energy: 0.7149524407454366 minimum gb energy = 0.5478344151780749 eV minimum distance = 2.50121089223771 Angstroms sigma value = 185 ======================================== theta = 72.50767547488958 ======================================== Energy: 0.6355947776121045 Energy: 0.8312149795141027 Energy: 0.8312156709001282 Energy: 0.5518585800152424 Energy: 0.6198170686893064 Energy: 0.6198170686640893 Energy: 0.6288362141936119 Energy: 0.6602233234154453 Energy: 0.6602231888821406 Energy: 0.5538621516557236 Energy: 0.732803262265044 Energy: 0.7328015298909741 Energy: 0.7636643187018445 Energy: 0.5818451956589439 Energy: 0.5818474495781125 Energy: 0.5504005474118961 Energy: 0.7556880247510981 Energy: 0.7556878826315596 Energy: 0.5525613037470127 Energy: 0.7069913051732263 Energy: 0.7069924970184398 Energy: 0.7490778644486016 Energy: 0.5859228638636759 Energy: 0.5859232919245512 Energy: 0.5528594819545427 Energy: 0.7990733074692405 Energy: 0.7990734842841191 Energy: 0.62883589150345 Energy: 0.6596621074079889 Energy: 0.6596621264222652 minimum gb energy = 0.5504005474118961 eV minimum distance = 2.4589985793821 Angstroms sigma value = 173 ======================================== theta = 73.73979529168804 ======================================== Energy: 0.6058961385884963 Energy: 0.7625599939480087 Energy: 0.7625599993906829 Energy: 0.5309529570154096 Energy: 0.7660050808095894 Energy: 0.765995466156557 Energy: 0.5245737386301332 Energy: 0.7494813423773553 Energy: 0.7494813423490381 Energy: 0.5295191222517426 Energy: 0.782179713496582 Energy: 0.7821797136548257 Energy: 0.5240245056858647 Energy: 0.7446180713714856 Energy: 0.7446180776971932 Energy: 0.5245735213147217 Energy: 0.6875578193267808 Energy: 0.6875580744498543 Energy: 0.585008742140644 Energy: 0.7536052615862284 Energy: 0.7536051522061761 Energy: 0.6058961385406346 Energy: 0.6748075241385267 Energy: 0.6748075237126344 Energy: 0.5850087421816874 Energy: 0.7682312787876644 Energy: 0.7682311945697443 Energy: 0.5245733925932416 Energy: 0.5999834584604435 Energy: 0.5999833513983234 minimum gb energy = 0.5240245056858647 eV minimum distance = 2.46061888086946 Angstroms sigma value = 25 ======================================== theta = 75.13718405765499 ======================================== Energy: 0.6060966694865404 Energy: 0.754712539928416 Energy: 0.7547120532408134 Energy: 0.5102899423701048 Energy: 0.7175968588460141 Energy: 0.7175968597792375 Energy: 0.6580935832909818 Energy: 0.551460022502337 Energy: 0.5514601029850931 Energy: 0.5063118189771375 Energy: 0.6448261030495267 Energy: 0.6448260942090377 Energy: 0.5144290984689873 Energy: 0.6995167740104861 Energy: 0.6995167744976536 Energy: 0.522957429074715 Energy: 0.7322222909658451 Energy: 0.7322222952223327 Energy: 0.5153252856650327 Energy: 0.5869867389970925 Energy: 0.5869868320241437 Energy: 0.7373269213440478 Energy: 0.5470193696370869 Energy: 0.5470195269848617 Energy: 0.5097972137065574 Energy: 0.7336227157199907 Energy: 0.7336227131754689 Energy: 0.5105509831652277 Energy: 0.744005869710102 Energy: 0.7440065418668971 minimum gb energy = 0.5063118189771375 eV minimum distance = 2.47229125320966 Angstroms sigma value = 269 ======================================== theta = 75.74996730219641 ======================================== Energy: 0.6229035875186587 Energy: 0.7383605017703041 Energy: 0.7383597567260632 Energy: 0.4943786105316097 Energy: 0.6265541138417132 Energy: 0.6265547908899485 Energy: 0.6191179420687101 Energy: 0.5954780047659559 Energy: 0.5954787901591525 Energy: 0.502802129450983 Energy: 0.6658728845692402 Energy: 0.6658722480914192 Energy: 0.5028021025638146 Energy: 0.7437888307520035 Energy: 0.7437889970828496 Energy: 0.49693922758259707 Energy: 0.6878209362909725 Energy: 0.6878216104298407 Energy: 0.6986171546636883 Energy: 0.4944280011191851 Energy: 0.4944280011187565 Energy: 0.623017547666324 Energy: 0.6658722096863268 Energy: 0.6658734385209342 Energy: 0.49437923650541593 Energy: 0.7237391083806668 Energy: 0.7237391306150842 Energy: 0.4969391488371198 Energy: 0.7437288286105745 Energy: 0.7437287006291494 minimum gb energy = 0.4943786105316097 eV minimum distance = 2.47522634571174 Angstroms sigma value = 65 ======================================== theta = 76.31445317473812 ======================================== Energy: 0.6488397178910111 Energy: 0.7386370378798073 Energy: 0.7386370284786656 Energy: 0.5643284140211008 Energy: 0.5608837498098957 Energy: 0.5608837352417985 Energy: 0.49611180111686104 Energy: 0.7491047895714595 Energy: 0.7491047552744466 Energy: 0.7018510353709232 Energy: 0.49179659688358907 Energy: 0.4917962284705218 Energy: 0.4946428911335647 Energy: 0.7228261342764438 Energy: 0.7228254762673257 Energy: 0.6898950589069224 Energy: 0.5249931988753316 Energy: 0.5249931970870829 Energy: 0.49363896424430903 Energy: 0.7223696229232426 Energy: 0.7223696007776291 Energy: 0.704358970786783 Energy: 0.5249931448345838 Energy: 0.5249932235969633 Energy: 0.4936389630845595 Energy: 0.7176133997053279 Energy: 0.7176132446794967 Energy: 0.5649461887892158 Energy: 0.5243029641769819 Energy: 0.5243028219131362 minimum gb energy = 0.4917962284705218 eV minimum distance = 2.39940370215859 Angstroms sigma value = 79 ======================================== theta = 77.31961650818018 ======================================== Energy: 0.5484168281883959 Energy: 0.7006932651294315 Energy: 0.7006932699156686 Energy: 0.5240414478427955 Energy: 0.6322325298015236 Energy: 0.6322321346452988 Energy: 0.5301032798312819 Energy: 0.4787024708088554 Energy: 0.47870252994680185 Energy: 0.47245861701600395 Energy: 0.7033043075166233 Energy: 0.7033038258726493 Energy: 0.4724586159603811 Energy: 0.6834685265808803 Energy: 0.6834684259808607 Energy: 0.46710012145243635 Energy: 0.7019458185072404 Energy: 0.7019458187352985 Energy: 0.5230463225927838 Energy: 0.4724586176788466 Energy: 0.4724586195422287 Energy: 0.548416828189159 Energy: 0.7229109661000855 Energy: 0.7229120484151483 Energy: 0.5240416720571406 Energy: 0.702473758367776 Energy: 0.7024737579315 Energy: 0.5171790061223622 Energy: 0.5991095753359691 Energy: 0.5991090817199677 minimum gb energy = 0.46710012145243635 eV minimum distance = 2.4009649543131 Angstroms sigma value = 41 ======================================== theta = 78.57881372500071 ======================================== Energy: 0.5606900672697804 Energy: 0.6603345959011784 Energy: 0.660334599521374 Energy: 0.4438857902968299 Energy: 0.6823213212618713 Energy: 0.682234334081099 Energy: 0.444725556124334 Energy: 0.5363970293134542 Energy: 0.5363967709479517 Energy: 0.6273002745275335 Energy: 0.49631009450276503 Energy: 0.49631009464021714 Energy: 0.5402031858909889 Energy: 0.6388949301735419 Energy: 0.6388949151777047 Energy: 0.45385830234706276 Energy: 0.6658311571431555 Energy: 0.66583115742081 Energy: 0.4521406968870534 Energy: 0.6664173062594665 Energy: 0.6664172753953247 Energy: 0.6287593573120837 Energy: 0.6066434860884459 Energy: 0.6066434704036295 Energy: 0.4887520712209736 Energy: 0.4480317418699634 Energy: 0.44803177740241173 Energy: 0.44695339712489185 Energy: 0.6040338102159416 Energy: 0.6040335266744303 minimum gb energy = 0.4438857902968299 eV minimum distance = 2.40102415088165 Angstroms sigma value = 101 ======================================== theta = 79.61114218453038 ======================================== Energy: 0.5961854547420677 Energy: 0.637749290164888 Energy: 0.6377493798529127 Energy: 0.5082339771528009 Energy: 0.43031021602943015 Energy: 0.4303102166572521 Energy: 0.4260431199876643 Energy: 0.6282277243094201 Energy: 0.6282277027644465 Energy: 0.42468519135799626 Energy: 0.4374019668226771 Energy: 0.43740199847294503 Energy: 0.426043295752472 Energy: 0.6620655156798599 Energy: 0.6620652457647088 Energy: 0.42604309635158144 Energy: 0.5249265282941673 Energy: 0.5249265541076361 Energy: 0.42469187414246135 Energy: 0.6114958753792479 Energy: 0.6114958753779965 Energy: 0.5961849898370738 Energy: 0.6276127849842118 Energy: 0.6276127849760789 Energy: 0.5792747848092754 Energy: 0.504108477258805 Energy: 0.5041083208578597 Energy: 0.42604310593409844 Energy: 0.6517707545877425 Energy: 0.6517796028888572 minimum gb energy = 0.42468519135799626 eV minimum distance = 2.57364578953181 Angstroms sigma value = 15 ======================================== theta = 80.47271661854764 ======================================== Energy: 0.5759321595163811 Energy: 0.6172979769774333 Energy: 0.6172983071038636 Energy: 0.47822652940694405 Energy: 0.48533611980142877 Energy: 0.48533612014158906 Energy: 0.40878377657939813 Energy: 0.6144179359894777 Energy: 0.6144192063979733 Energy: 0.41749167660818454 Energy: 0.6336173586188876 Energy: 0.6336168978318445 Energy: 0.6156169668805271 Energy: 0.44524357391204106 Energy: 0.44524328059266705 Energy: 0.4124553530267429 Energy: 0.6213087065953351 Energy: 0.6217470292852576 Energy: 0.40538398470062087 Energy: 0.6214154929734151 Energy: 0.6214140851539737 Energy: 0.6580904394582858 Energy: 0.5454290215768224 Energy: 0.5454290848826522 Energy: 0.4116769069563813 Energy: 0.614763376431811 Energy: 0.6147633764298026 Energy: 0.4076321277863842 Energy: 0.5454849063267695 Energy: 0.5454850609348364 minimum gb energy = 0.40538398470062087 eV minimum distance = 2.40471765525027 Angstroms sigma value = 145 ======================================== theta = 81.20258929000894 ======================================== Energy: 0.5423967455570908 Energy: 0.5882134532395726 Energy: 0.5882136081178 Energy: 0.39767283603591697 Energy: 0.6117606572399552 Energy: 0.6117605776482059 Energy: 0.3908378307815181 Energy: 0.566252280183764 Energy: 0.5662526047210124 Energy: 0.391079697421208 Energy: 0.511510010541986 Energy: 0.511510016967733 Energy: 0.3908377955379791 Energy: 0.5115100155941357 Energy: 0.5115100130783954 Energy: 0.3908379461178732 Energy: 0.6117615467768013 Energy: 0.611760945664362 Energy: 0.3976728454075508 Energy: 0.588711521178864 Energy: 0.5887115464447676 Energy: 0.5423970494752995 Energy: 0.5987683614857443 Energy: 0.5987683576959936 Energy: 0.4673508745858488 Energy: 0.5352553664789388 Energy: 0.5352557108580918 Energy: 0.4499287187118171 Energy: 0.39001440951970756 Energy: 0.3900144111047165 minimum gb energy = 0.39001440951970756 eV minimum distance = 2.56659710549341 Angstroms sigma value = 85 ======================================== theta = 81.82876644005026 ======================================== Energy: 0.6284568627491451 Energy: 0.5787584429644552 Energy: 0.578758388484031 Energy: 0.3798482116363988 Energy: 0.6374789352433664 Energy: 0.6374789307578965 Energy: 0.3794489400068815 Energy: 0.5736678738190126 Energy: 0.5736679103697302 Energy: 0.4652857810172768 Energy: 0.5847269857180668 Energy: 0.5847267923277112 Energy: 0.4652855124069494 Energy: 0.5719064842484226 Energy: 0.5719070052100768 Energy: 0.37788523042311434 Energy: 0.5590034597186903 Energy: 0.5590038723593311 Energy: 0.3918474510530565 Energy: 0.5107956807070928 Energy: 0.5107957125853488 Energy: 0.6863008795732333 Energy: 0.5164838475855269 Energy: 0.5164838655816069 Energy: 0.45527900549790024 Energy: 0.5001615460598579 Energy: 0.5001613178705884 Energy: 0.3766715161721154 Energy: 0.5809464164646854 Energy: 0.5809460082037554 minimum gb energy = 0.3766715161721154 eV minimum distance = 2.41097212616149 Angstroms sigma value = 197 ======================================== theta = 82.3718503314193 ======================================== Energy: 0.5057994086859737 Energy: 0.5619465109305193 Energy: 0.5619465113601019 Energy: 0.37711108680619554 Energy: 0.5549049402583079 Energy: 0.5549050773540162 Energy: 0.3524933175530794 Energy: 0.5452283334861094 Energy: 0.5452280346451003 Energy: 0.35351901253645873 Energy: 0.4691226680300631 Energy: 0.46912259202935497 Energy: 0.3964433949688371 Energy: 0.46912274029642576 Energy: 0.46912274029642576 Energy: 0.35351903346733393 Energy: 0.4233042463433242 Energy: 0.4233042474092473 Energy: 0.4693233923111435 Energy: 0.5564858976609109 Energy: 0.556485948545672 Energy: 0.5057994088187492 Energy: 0.5583756607308882 Energy: 0.5583756577146378 Energy: 0.37711112521429896 Energy: 0.5556569782508508 Energy: 0.5556569831066951 Energy: 0.362723486305455 Energy: 0.5549049761206523 Energy: 0.554905080478221 minimum gb energy = 0.3524933175530794 eV minimum distance = 2.6160859542853 Angstroms sigma value = 113 ======================================== theta = 83.2670786731404 ======================================== Energy: 0.5316200940968862 Energy: 0.5237360648244325 Energy: 0.5237360168536473 Energy: 0.5703300832479695 Energy: 0.3872484138658687 Energy: 0.3872484143221575 Energy: 0.3355864027703224 Energy: 0.5269619703033244 Energy: 0.5269627278262485 Energy: 0.33558640274031387 Energy: 0.5263365798805419 Energy: 0.5263356755087946 Energy: 0.329240398343041 Energy: 0.4408797035739218 Energy: 0.44087984997416596 Energy: 0.34141920803465203 Energy: 0.5158497973960405 Energy: 0.5158498005787006 Energy: 0.49750870018136134 Energy: 0.43432833731108017 Energy: 0.43432838238999494 Energy: 0.5923825220275358 Energy: 0.5375224523265475 Energy: 0.5375211110473164 Energy: 0.4444547584622996 Energy: 0.5297961560916031 Energy: 0.5298415760138678 Energy: 0.3981532388677309 Energy: 0.4364855706747776 Energy: 0.4364855706751834 minimum gb energy = 0.329240398343041 eV minimum distance = 2.40976689663171 Angstroms sigma value = 145 ======================================== theta = 83.97442499163331 ======================================== Energy: 0.5852723864468342 Energy: 0.5017809996825929 Energy: 0.5017809996822297 Energy: 0.47080326000961215 Energy: 0.4925630406468595 Energy: 0.4925631275425638 Energy: 0.3374199972237672 Energy: 0.3872429170930373 Energy: 0.3872426011195895 Energy: 0.32167816184486064 Energy: 0.49859571457125795 Energy: 0.49859574188282324 Energy: 0.3136956909506491 Energy: 0.498609941697517 Energy: 0.4986093407591547 Energy: 0.3951937357046913 Energy: 0.41205922701319386 Energy: 0.4120590225987538 Energy: 0.357265154947869 Energy: 0.507935543927738 Energy: 0.5079347847414575 Energy: 0.5839934462625281 Energy: 0.5054487364352019 Energy: 0.5054486924413707 Energy: 0.6041848781263994 Energy: 0.35872722122509676 Energy: 0.35872723966477055 Energy: 0.32430168155807493 Energy: 0.5109395520993802 Energy: 0.5109392968895566 minimum gb energy = 0.3136956909506491 eV minimum distance = 2.61090260389987 Angstroms sigma value = 181 ======================================== theta = 84.54737801218748 ======================================== Energy: 0.5484511451635354 Energy: 0.4772649382811633 Energy: 0.4772649382850775 Energy: 0.41903122833777934 Energy: 0.5358141900777621 Energy: 0.5358143131573384 Energy: 0.3035577274597706 Energy: 0.5254623166200383 Energy: 0.5254622374068092 Energy: 0.30157692605994124 Energy: 0.4760998437758639 Energy: 0.4760998453225841 Energy: 0.30157692070556735 Energy: 0.471659671211024 Energy: 0.47165982104612597 Energy: 0.30355771992920183 Energy: 0.4815989486467278 Energy: 0.4815990949773948 Energy: 0.41903124521306 Energy: 0.47559364767568285 Energy: 0.47559361930017224 Energy: 0.5827875365303643 Energy: 0.46134384900499054 Energy: 0.46134387756775697 Energy: 0.4175782315426744 Energy: 0.4816851064290694 Energy: 0.4816763368925708 Energy: 0.31501172772778874 Energy: 0.46030666610737475 Energy: 0.4603067613535472 minimum gb energy = 0.30157692070556735 eV minimum distance = 2.54946847969559 Angstroms sigma value = 55 ======================================== theta = 85.02089415600169 ======================================== Energy: 0.4898155462940858 Energy: 0.4523420232126603 Energy: 0.4523420037405367 Energy: 0.3673199507095195 Energy: 0.4480628470792773 Energy: 0.44806276106296344 Energy: 0.4029663945895227 Energy: 0.2911802127777217 Energy: 0.29118021532726845 Energy: 0.28035649268878676 Energy: 0.45971501127798137 Energy: 0.4597080589396028 Energy: 0.2914812475416296 Energy: 0.44870839581510125 Energy: 0.4487083782318895 Energy: 0.28493683232997447 Energy: 0.45000444379542015 Energy: 0.4500045000732617 Energy: 0.6111974121017869 Energy: 0.2877462519090754 Energy: 0.2877462585280846 Energy: 0.5616193193558112 Energy: 0.4589887453371979 Energy: 0.4589897134524778 Energy: 0.37180258918769765 Energy: 0.5178487987395939 Energy: 0.5178487986678848 Energy: 0.28464139973253616 Energy: 0.4589381320626148 Energy: 0.4589382807222602 minimum gb energy = 0.28035649268878676 eV minimum distance = 2.60437730127117 Angstroms sigma value = 265 ======================================== theta = 85.41877991472295 ======================================== Energy: 0.5496981221152714 Energy: 0.4333675631538305 Energy: 0.43336741275555374 Energy: 0.6205410228527417 Energy: 0.335925189103913 Energy: 0.33592512972843125 Energy: 0.276063085232428 Energy: 0.4300214439847648 Energy: 0.4300213936542777 Energy: 0.26540178732549274 Energy: 0.41936351641690633 Energy: 0.4193635164188647 Energy: 0.2760630851531894 Energy: 0.4358469193356261 Energy: 0.435847020768498 Energy: 0.27068182867100826 Energy: 0.4136160123618791 Energy: 0.41361764668879236 Energy: 0.34943534584351377 Energy: 0.44471594747204785 Energy: 0.44471593878508275 Energy: 0.5326668399771767 Energy: 0.4306078895332166 Energy: 0.4306082736855076 Energy: 0.4443179872969793 Energy: 0.44103022018046234 Energy: 0.441030219361413 Energy: 0.2731219427394881 Energy: 0.4422279100094721 Energy: 0.44222676208893047 minimum gb energy = 0.26540178732549274 eV minimum distance = 2.59782782818537 Angstroms sigma value = 39 ======================================== theta = 85.7578072066771 ======================================== Energy: 0.5217073766925427 Energy: 0.41716409456999914 Energy: 0.4171639547289758 Energy: 0.33645184132111955 Energy: 0.4255644526279586 Energy: 0.4255642487780462 Energy: 0.30250189874043787 Energy: 0.44884657855240884 Energy: 0.44884660892502026 Energy: 0.25442865050665625 Energy: 0.4170231176069799 Energy: 0.41702312237153444 Energy: 0.25892018191446153 Energy: 0.4251982435498748 Energy: 0.42519648342228145 Energy: 0.26304208024199216 Energy: 0.466833749210362 Energy: 0.4668338922269336 Energy: 0.33644742441533604 Energy: 0.4127739123917745 Energy: 0.4127740748539579 Energy: 0.569291362582274 Energy: 0.4028716742082061 Energy: 0.4028715327786414 Energy: 0.5892532492018165 Energy: 0.31854973514964807 Energy: 0.3185497388622741 Energy: 0.3187348991747923 Energy: 0.38995378966141514 Energy: 0.3899535360538693 minimum gb energy = 0.25442865050665625 eV minimum distance = 2.59012592366733 Angstroms sigma value = 91 ======================================== theta = 86.05013197823605 ======================================== Energy: 0.497342487498276 Energy: 0.40145226109922816 Energy: 0.40145235020312736 Energy: 0.3250121971721637 Energy: 0.4012316888579346 Energy: 0.4012316890388306 Energy: 0.2517470549640068 Energy: 0.4013399186582615 Energy: 0.4013394451608421 Energy: 0.24855107771548926 Energy: 0.39603182375059953 Energy: 0.3960318379514582 Energy: 0.2462572117430541 Energy: 0.3841970125510685 Energy: 0.384198950285851 Energy: 0.3916220783408838 Energy: 0.30556804528466536 Energy: 0.3055683603664695 Energy: 0.4646094804363971 Energy: 0.34253126207223195 Energy: 0.342531261893674 Energy: 0.5426596626441543 Energy: 0.4013345226907165 Energy: 0.4013342232260252 Energy: 0.396245560086718 Energy: 0.413073145269595 Energy: 0.4130733877309913 Energy: 0.256252889643135 Energy: 0.44278489430055273 Energy: 0.442784659439388 minimum gb energy = 0.2462572117430541 eV minimum distance = 2.61165167162934 Angstroms sigma value = 105 ======================================== theta = 90.0 ======================================== Energy: 0.011682900948793422 Energy: 0.01168290094844007 Energy: 0.01168290094844007 Energy: 0.011682900954309662 Energy: 0.19252828338025024 Energy: 0.1925282833792098 Energy: 0.011682900950167574 Energy: 0.19252828337989686 Energy: 0.19252828338301814 Energy: 0.011682900952582157 Energy: 0.19252828337989686 Energy: 0.19252828338025024 Energy: 0.01168290094844007 Energy: 0.1925282833792098 Energy: 0.1925282833809373 Energy: 0.011682900949833853 Energy: 0.19252828337956315 Energy: 0.19252828338129066 Energy: 0.011682900949127146 Energy: 0.19252828337956315 Energy: 0.19252828337956315 Energy: 0.01168290094844007 Energy: 0.011682900949833853 Energy: 0.011682900950520929 Energy: 0.01168290094844007 Energy: 0.19252828337956315 Energy: 0.19252828338025024 Energy: 0.011682900949127146 Energy: 0.19252828337989686 Energy: 0.19252828337956315 minimum gb energy = 0.01168290094844007 eV minimum distance = 2.85662960697933 Angstroms sigma value = 1