Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Al__MO_131650261510_005 a1: a1=[-1, 1, 0] a2: a2=[0, 0, 1] a3: a3=[1, 1, 0] Species: species=Al Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.050180745124819 cohesive_energy=3.5802830731630406 mass=26.981538 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=180.0 Max. denominator: max_denominator=8 Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5 Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: -9.5367431640625e-07 eV ======================================== theta = 0.0 ======================================== Energy: 0.01110015237071423 Energy: 0.16941549205212827 Energy: 0.01110015237071423 Energy: 0.16941549205212827 Energy: 0.01110015237071423 Energy: 0.16941549205187845 Energy: 0.16941549205212827 Energy: 0.35138852794429154 Energy: 0.16941549205212827 Energy: 0.5280930599035415 Energy: 0.16941549205187845 Energy: 0.34219329926160524 Energy: 0.01110015237071423 Energy: 0.16941549205212827 Energy: 0.01110015237071423 Energy: 0.16941549205187845 Energy: 0.01110015237071423 Energy: 0.1694154920516286 Energy: 0.16941549205212827 Energy: 0.5280930599028197 Energy: 0.16941549205187845 Energy: 0.5001662211946726 Energy: 0.16941549205187845 Energy: 0.34219329926160524 Energy: 0.01110015237071423 Energy: 0.16941549205187845 Energy: 0.01110015237071423 Energy: 0.16941549205187845 Energy: 0.01110015237071423 Energy: 0.16941549205187845 Energy: 0.16941549205212827 Energy: 0.34219329926160524 Energy: 0.1694154920516286 Energy: 0.34219329926185504 Energy: 0.16941549205187845 Energy: 0.34219329926138314 minimum gb energy = 0.01110015237071423 eV minimum distance = 2.50483446078442 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 0.332997162643679 Energy: 0.3220627673467295 Energy: 0.332997162643679 Energy: 0.3220627673467295 Energy: 0.332997162643679 Energy: 0.3220627673467295 Energy: 0.3530564147334184 Energy: 0.3178973036480501 Energy: 0.3530564147328169 Energy: 0.3178973036480501 Energy: 0.3530564147322156 Energy: 0.3178973036480501 Energy: 0.3200875644975411 Energy: 0.3266366250883289 Energy: 0.3200875644981425 Energy: 0.3266366250895316 Energy: 0.3200875644975411 Energy: 0.3266366250877275 Energy: 0.34594939607847386 Energy: 0.3178724994435387 Energy: 0.34594939608027797 Energy: 0.3178724994441401 Energy: 0.34594939607847386 Energy: 0.3178724994441401 Energy: 0.3257993043747838 Energy: 0.3368540897066682 Energy: 0.3257993043747838 Energy: 0.3368540897066682 Energy: 0.32579930437538523 Energy: 0.3368540897066682 Energy: 0.34487892038124857 Energy: 0.3120979029736354 Energy: 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0.33161272777949125 Energy: 0.32551031605803626 Energy: 0.33161272777949125 Energy: 0.32551031605743486 Energy: 0.33314297340234966 Energy: 0.3233680041507176 Energy: 0.31968551416904245 Energy: 0.3233680041507176 Energy: 0.31968551416904245 Energy: 0.3233680041507176 Energy: 0.33070175665548046 Energy: 0.31206971542626033 Energy: 0.33070175665548046 Energy: 0.3120697154268617 Energy: 0.33070175665548046 Energy: 0.31206971542626033 Energy: 0.31382195689753506 Energy: 0.351511241847094 Energy: 0.31382195689693365 Energy: 0.3515112418464926 Energy: 0.31382195689753506 Energy: 0.351511241847094 Energy: 0.3393605715417425 Energy: 0.32616942326009385 Energy: 0.3393605715417425 Energy: 0.3261694232606952 Energy: 0.3393605715417425 Energy: 0.32616942326009385 Energy: 0.31757614730005784 Energy: 0.35158400434125864 Energy: 0.3347616083724011 Energy: 0.35158400434125864 Energy: 0.31332180369246576 Energy: 0.35158400434125864 minimum gb energy = 0.3076611613860401 eV minimum distance = 2.60645925628759 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 0.32102478528124556 Energy: 0.3327125130532124 Energy: 0.3210247852798773 Energy: 0.33271251305389654 Energy: 0.3210247852798773 Energy: 0.33271251305389654 Energy: 0.33099997904392253 Energy: 0.3131593978658854 Energy: 0.3309999790435805 Energy: 0.3131593978658854 Energy: 0.3309999790425542 Energy: 0.3131593978658854 Energy: 0.2995988829810658 Energy: 0.31339382702674573 Energy: 0.2995988829817499 Energy: 0.3133938270284561 Energy: 0.2995988829814079 Energy: 0.313393827028114 Energy: 0.3189073534635364 Energy: 0.3388342996914339 Energy: 0.3189073534649046 Energy: 0.33883429969177603 Energy: 0.3189073534642205 Energy: 0.33883429969177603 Energy: 0.31049955338163504 Energy: 0.3330481546988019 Energy: 0.310499553381293 Energy: 0.3330481546981177 Energy: 0.31049955338095087 Energy: 0.33304815469845983 Energy: 0.31409386445075504 Energy: 0.2946294151567406 Energy: 0.314093864450413 Energy: 0.2946294151570827 Energy: 0.3140938644510971 Energy: 0.2946294151570827 Energy: 0.3324101102938876 Energy: 0.3238056949656324 Energy: 0.33241011029354556 Energy: 0.3238056949656324 Energy: 0.3324101102925194 Energy: 0.32380569496597444 Energy: 0.3003546761948274 Energy: 0.3316957813381182 Energy: 0.3003546761965377 Energy: 0.33169578133777616 Energy: 0.30035467619619566 Energy: 0.33169578133777616 Energy: 0.3058620799986492 Energy: 0.2979397859319693 Energy: 0.305862079997965 Energy: 0.2979397859323114 Energy: 0.30586207999591264 Energy: 0.2979397859323114 Energy: 0.3084967027563752 Energy: 0.32716050457499224 Energy: 0.3084967027574014 Energy: 0.32716050457499224 Energy: 0.3084967027563752 Energy: 0.32716050457499224 Energy: 0.32619365324372357 Energy: 0.3084918985312188 Energy: 0.32619365324406563 Energy: 0.3084918985312188 Energy: 0.3261936532444077 Energy: 0.30849189853156084 Energy: 0.294430529647524 Energy: 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Energy: 0.3080295706415512 Energy: 0.32631477522593105 Energy: 0.3080295706425774 Energy: 0.32631477522524693 Energy: 0.3117673734294668 Energy: 0.2979180419257689 Energy: 0.3117673734294668 Energy: 0.2979180419257689 Energy: 0.31176737342980887 Energy: 0.2979180419257689 Energy: 0.29594371032368466 Energy: 0.3230291737985711 Energy: 0.2959437103250529 Energy: 0.323029173797887 Energy: 0.29594371032368466 Energy: 0.323029173797887 Energy: 0.3305529851693829 Energy: 0.3221477868719424 Energy: 0.33055298516869874 Energy: 0.3221477868719424 Energy: 0.330552985169725 Energy: 0.3221477868719424 Energy: 0.3101724109004607 Energy: 0.31852125817035876 Energy: 0.3101724109011448 Energy: 0.31852125816967464 Energy: 0.3101724109004607 Energy: 0.3185212581693326 Energy: 0.31252672045063196 Energy: 0.2941611454734806 Energy: 0.31252672045097396 Energy: 0.2941611454727964 Energy: 0.31252672045165814 Energy: 0.2941611454734806 Energy: 0.32524208515689146 Energy: 0.3225545001443876 Energy: 0.3252420851572335 Energy: 0.3225545001437034 Energy: 0.3252420851582597 Energy: 0.32255450014336134 Energy: 0.2960415775937796 Energy: 0.31762862792089397 Energy: 0.2960415775930954 Energy: 0.3176286279205519 Energy: 0.29604157759343747 Energy: 0.3176286279205519 Energy: 0.3175171075881929 Energy: 0.31213611548934206 Energy: 0.3175171075881929 Energy: 0.31213611548934206 Energy: 0.3175171075881929 Energy: 0.31213611548934206 Energy: 0.32308295269267384 Energy: 0.3315591485268735 Energy: 0.32308295269267384 Energy: 0.33155914852755763 Energy: 0.3230829526930159 Energy: 0.3315591485272156 Energy: 0.3233584488587813 Energy: 0.2960485883976385 Energy: 0.3233584488618599 Energy: 0.2960485883976385 Energy: 0.3233584488618599 Energy: 0.2960485883979806 Energy: 0.2943924477609921 Energy: 0.3050929155463743 Energy: 0.2943924477609921 Energy: 0.3050929155470584 Energy: 0.2943924477613342 Energy: 0.3050929155474005 minimum gb energy = 0.29367913858823214 eV minimum distance = 2.70265574412688 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 0.3181019520843005 Energy: 0.3234013825073351 Energy: 0.3181019520843005 Energy: 0.3234013825073351 Energy: 0.3181019520843005 Energy: 0.3234013825073351 Energy: 0.3480526001282491 Energy: 0.31638897524409776 Energy: 0.3480526001282491 Energy: 0.31638897524409776 Energy: 0.3480526001282491 Energy: 0.31638897524489035 Energy: 0.3136481602082451 Energy: 0.3232727632994974 Energy: 0.3136481602082451 Energy: 0.32327276330029 Energy: 0.3136481602082451 Energy: 0.3232727632994974 Energy: 0.31411759491732594 Energy: 0.29786342295383733 Energy: 0.3141175949181185 Energy: 0.29786342295383733 Energy: 0.31411759491970365 Energy: 0.29786342295383733 Energy: 0.32550462624981186 Energy: 0.3123858115571095 Energy: 0.32550462624981186 Energy: 0.3123858115571095 Energy: 0.32550462624981186 Energy: 0.3123858115571095 Energy: 0.32668811445242935 Energy: 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Energy: 0.252056921042676 Energy: 0.2518377711154415 Energy: 0.2520569210431462 Energy: 0.2518377711163817 Energy: 0.2520569210454969 Energy: 0.2518377711163817 Energy: 0.25205532262243396 Energy: 0.2517544778054139 Energy: 0.2520553226247846 Energy: 0.25175447780447363 Energy: 0.2520553226247846 Energy: 0.2517544778068242 Energy: 0.27048063655346977 Energy: 0.25632125490132673 Energy: 0.27048063655299964 Energy: 0.2563212549017969 Energy: 0.27048063655535026 Energy: 0.25632125490085667 Energy: 0.2563511545301416 Energy: 0.2993694692146242 Energy: 0.25635115452967144 Energy: 0.29936946921509433 Energy: 0.2563511545292013 Energy: 0.29936946921415414 Energy: 0.294581197202693 Energy: 0.2989848941754465 Energy: 0.2945811972022228 Energy: 0.2989848941749764 Energy: 0.2945811972012826 Energy: 0.2989848941749764 Energy: 0.2513333409837948 Energy: 0.27802957072480133 Energy: 0.2513333409842649 Energy: 0.2780295707252715 Energy: 0.2513333409842649 Energy: 0.27802957072480133 Energy: 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0.29457488621573336 Energy: 0.2988503110902504 Energy: 0.2945748862133827 Energy: 0.2988503110902504 Energy: 0.294574886214323 Energy: 0.2988503110907205 Energy: 0.2563559046911216 Energy: 0.2994202318553902 Energy: 0.2563559046911216 Energy: 0.29942023185397987 Energy: 0.25635590468971126 Energy: 0.29942023185586036 minimum gb energy = 0.2513333409837948 eV minimum distance = 2.59745319181288 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 0.2541882472438782 Energy: 0.25078273159096154 Energy: 0.2541882472438782 Energy: 0.25078273159096154 Energy: 0.2541882472438782 Energy: 0.25078273159096154 Energy: 0.2984324745759447 Energy: 0.2344215382815629 Energy: 0.2984324745782478 Energy: 0.2344215381411503 Energy: 0.2984324745759447 Energy: 0.23442154041562543 Energy: 0.252660077923024 Energy: 0.2882594023626971 Energy: 0.252660077923024 Energy: 0.2882594023650002 Energy: 0.252660077923024 Energy: 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0.3006284646520387 Energy: 0.2345596308921672 Energy: 0.25095884704179466 Energy: 0.23642087159626354 Energy: 0.25095884704308896 Energy: 0.2364208715965871 Energy: 0.25095884704147114 Energy: 0.23642087159626354 Energy: 0.3006776801121874 Energy: 0.22590512453573328 Energy: 0.3006776801131581 Energy: 0.22590512453508613 Energy: 0.3006776801128345 Energy: 0.22590512453476258 Energy: 0.23100597994101535 Energy: 0.2506755887513447 Energy: 0.23100597994166244 Energy: 0.2506755887513447 Energy: 0.23100597994166244 Energy: 0.25067558875069756 Energy: 0.23810692904288408 Energy: 0.22624575418086923 Energy: 0.23810692904514902 Energy: 0.22624575418086923 Energy: 0.23810692904353123 Energy: 0.22624575418054563 Energy: 0.2542747152331046 Energy: 0.2373912666383451 Energy: 0.25427471523116324 Energy: 0.2373912666383451 Energy: 0.25427471523148676 Energy: 0.23739126663899224 minimum gb energy = 0.21907195231592155 eV minimum distance = 2.68117619149544 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 0.09621322221436981 Energy: 0.10100856935645168 Energy: 0.09621322221363326 Energy: 0.10100856935645168 Energy: 0.09621322221436981 Energy: 0.10100856935571516 Energy: 0.13868730335497462 Energy: 0.09692701172357812 Energy: 0.1386873033542381 Energy: 0.09692701172357812 Energy: 0.1386873033542381 Energy: 0.09692701172431464 Energy: 0.11082439717579749 Energy: 0.1313060224486039 Energy: 0.11082439717579749 Energy: 0.1313060224486039 Energy: 0.11082439717579749 Energy: 0.1313060224486039 Energy: 0.10253854262790893 Energy: 0.09643901544786634 Energy: 0.10253854262790893 Energy: 0.09643901544565672 Energy: 0.10253854262864548 Energy: 0.09643901544933943 Energy: 0.13846471620898318 Energy: 0.13501655432433657 Energy: 0.1384647162082466 Energy: 0.13501655432433657 Energy: 0.1384647162082466 Energy: 0.13501655432507312 Energy: 0.09647564256223692 Energy: 0.11468865142682873 Energy: 0.09647564256297347 Energy: 0.11468865142682873 Energy: 0.09647564256150039 Energy: 0.11468865142682873 Energy: 0.09647833057495052 Energy: 0.11464593372311108 Energy: 0.09647833057568707 Energy: 0.11464593372311108 Energy: 0.09647833057495052 Energy: 0.11464593372311108 Energy: 0.13866156253259537 Energy: 0.13502551741292954 Energy: 0.13866156253259537 Energy: 0.13502551741292954 Energy: 0.13866156253259537 Energy: 0.135025517412193 Energy: 0.1025397880260159 Energy: 0.09643134737473755 Energy: 0.1025397880260159 Energy: 0.09643134737105483 Energy: 0.10253978802527935 Energy: 0.09643134737031829 Energy: 0.11080796645597092 Energy: 0.13132855747869857 Energy: 0.11080796645597092 Energy: 0.13132855747943512 Energy: 0.11080796645523439 Energy: 0.13132855747943512 Energy: 0.13848911711322964 Energy: 0.09698844687272037 Energy: 0.1384891171139662 Energy: 0.09698844687272037 Energy: 0.1384891171139662 Energy: 0.09698844687272037 Energy: 0.09621322221436981 Energy: 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Energy: 0.11464593372311108 Energy: 0.09647833057568707 Energy: 0.11464593372311108 Energy: 0.09647833057495052 Energy: 0.11464593372311108 Energy: 0.1386615625333319 Energy: 0.13502551741145646 Energy: 0.1386615625333319 Energy: 0.13502551740998336 Energy: 0.13866156253259537 Energy: 0.13502551741071991 minimum gb energy = 0.09621322221363326 eV minimum distance = 2.7942290108859 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 0.206624819808412 Energy: 0.25453669324326367 Energy: 0.20662481980895156 Energy: 0.25453669324272415 Energy: 0.20662481980895156 Energy: 0.25453669324272415 Energy: 0.2680508309158063 Energy: 0.22712477512730705 Energy: 0.2680508309147272 Energy: 0.22712477512730705 Energy: 0.26805083091634585 Energy: 0.2271247751278466 Energy: 0.2249051436374054 Energy: 0.297291098385486 Energy: 0.2578268724730058 Energy: 0.2972910983860256 Energy: 0.24331142371534148 Energy: 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0.20161219467143535 Energy: 0.20695001651624162 Energy: 0.2550307077692517 Energy: 0.20695001651839975 Energy: 0.2550307077692517 Energy: 0.2069500165173207 Energy: 0.2550307077697912 Energy: 0.19727633477884943 Energy: 0.22709453301562335 Energy: 0.19727633477835896 Energy: 0.2270945330150838 Energy: 0.19727633477992854 Energy: 0.22709453301562335 Energy: 0.3251320668151719 Energy: 0.235961123531382 Energy: 0.3251320668146324 Energy: 0.23596112353192153 Energy: 0.3251320668157115 Energy: 0.23596112353084245 Energy: 0.24166357124504464 Energy: 0.20260896385849944 Energy: 0.2416635712461237 Energy: 0.2026089638579599 Energy: 0.24166357124504464 Energy: 0.20260896385849944 Energy: 0.24973129171113762 Energy: 0.20348955974499486 Energy: 0.24973129171167713 Energy: 0.20348955975578553 Energy: 0.24973129171113762 Energy: 0.20348955975416694 Energy: 0.18359103051763814 Energy: 0.20616618405101486 Energy: 0.18359103051817766 Energy: 0.20616618405101486 Energy: 0.18359103051817766 Energy: 0.20616618405101486 Energy: 0.2100759886026244 Energy: 0.22003588691506484 Energy: 0.2100759886010058 Energy: 0.22003588691506484 Energy: 0.2100759886010058 Energy: 0.22003588691398576 Energy: 0.22996169843044875 Energy: 0.23084714270741752 Energy: 0.2299616984309883 Energy: 0.23084714270741752 Energy: 0.22996169843044875 Energy: 0.230847142706878 Energy: 0.2375243913693271 Energy: 0.21605563452670656 Energy: 0.2375243913693271 Energy: 0.21605563452670656 Energy: 0.23752439136878759 Energy: 0.21605563452616702 Energy: 0.183657104636874 Energy: 0.22359734707900009 Energy: 0.183657104636874 Energy: 0.2235973470757629 Energy: 0.18365710463633447 Energy: 0.22359734707953965 Energy: 0.3497727674903827 Energy: 0.2748274420356016 Energy: 0.3497727674909223 Energy: 0.2748274420356016 Energy: 0.3497727674903827 Energy: 0.2748274420361412 minimum gb energy = 0.180162685204836 eV minimum distance = 2.62951343601159 Angstroms sigma value = 41 ======================================== theta = 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Energy: 0.19439478964743373 Energy: 0.2092614686341057 Energy: 0.19708956714369386 Energy: 0.19160844670871005 Energy: 0.19708956714369386 Energy: 0.19160844670913527 Energy: 0.19708956714411913 Energy: 0.19160844670871005 Energy: 0.19087730923942808 Energy: 0.2306412995614976 Energy: 0.19087730923857757 Energy: 0.2306412995614976 Energy: 0.19087730923942808 Energy: 0.2306412995619228 Energy: 0.22425207417329865 Energy: 0.241695460237146 Energy: 0.22425207417329865 Energy: 0.2416954602375712 Energy: 0.22425207417499965 Energy: 0.241695460237146 Energy: 0.1888809013519899 Energy: 0.20540810814464808 Energy: 0.1888809013519899 Energy: 0.20540810814634905 Energy: 0.1888809013519899 Energy: 0.20540810814634905 Energy: 0.20184869589636145 Energy: 0.1916789538924068 Energy: 0.2018486958950857 Energy: 0.1916789538924068 Energy: 0.20184869589593624 Energy: 0.1916789538924068 Energy: 0.2650090240583552 Energy: 0.2665060455614346 Energy: 0.26500902405878046 Energy: 0.2665060455614346 Energy: 0.2650090240579299 Energy: 0.2665060455622851 Energy: 0.23374439072325948 Energy: 0.22528687895762928 Energy: 0.23374439072325948 Energy: 0.22528687895762928 Energy: 0.23374439072283423 Energy: 0.22528687895720406 Energy: 0.2251835439811406 Energy: 0.26674051934797327 Energy: 0.2251835439811406 Energy: 0.2667405193488238 Energy: 0.2251835439811406 Energy: 0.2667405193492491 Energy: 0.1969221322080038 Energy: 0.26971255369455577 Energy: 0.19692213220885432 Energy: 0.2697125536937246 Energy: 0.19692213220885432 Energy: 0.26971255369455577 Energy: 0.22047206845291648 Energy: 0.2510809078442859 Energy: 0.22047206845376693 Energy: 0.25108090785234616 Energy: 0.22047206845334175 Energy: 0.25108090784766846 Energy: 0.2269898548926614 Energy: 0.19368707072859512 Energy: 0.22698985489181095 Energy: 0.19368707072816987 Energy: 0.2269898548926614 Energy: 0.19368707072859512 Energy: 0.18882980911723787 Energy: 0.27645319747445407 Energy: 0.18882980911766312 Energy: 0.27645319747445407 Energy: 0.18882980911723787 Energy: 0.27645319747445407 Energy: 0.18918775682484912 Energy: 0.2754523193850286 Energy: 0.1891877568265501 Energy: 0.2754523193846034 Energy: 0.18918775682527433 Energy: 0.2754523193850286 Energy: 0.20539415266208863 Energy: 0.20573733378577558 Energy: 0.2053941526625139 Energy: 0.20573733378620082 Energy: 0.20539415266123814 Energy: 0.20573733378535036 Energy: 0.19803358312894404 Energy: 0.19378394132852234 Energy: 0.1980335831293693 Energy: 0.19378394132852234 Energy: 0.19803358312851882 Energy: 0.19378394132852234 Energy: 0.1974508592879038 Energy: 0.30672311194713403 Energy: 0.1974508592879038 Energy: 0.30672311194713403 Energy: 0.1974508592879038 Energy: 0.30672311194713403 Energy: 0.22611579308554147 Energy: 0.22726910458820623 Energy: 0.22611579308639196 Energy: 0.2272691045865053 Energy: 0.22611579308596674 Energy: 0.22726910458693048 Energy: 0.25077631133344214 Energy: 0.18904243647669716 Energy: 0.2507763113342926 Energy: 0.18904243647712238 Energy: 0.25077631133386735 Energy: 0.18904243647712238 Energy: 0.19492680143815327 Energy: 0.20824716274754618 Energy: 0.194926801437728 Energy: 0.20824716274456948 Energy: 0.194926801437728 Energy: 0.208247162743719 Energy: 0.19846822315433657 Energy: 0.19228495901432963 Energy: 0.19846822315433657 Energy: 0.19228495901432963 Energy: 0.1984682231547618 Energy: 0.19228495901432963 Energy: 0.1891012832746276 Energy: 0.2052593827793001 Energy: 0.18910128327377712 Energy: 0.20525938278100103 Energy: 0.1891012832746276 Energy: 0.20525938278270203 minimum gb energy = 0.18882980911723787 eV minimum distance = 2.66287373242357 Angstroms sigma value = 33 ======================================== theta = 62.439396894736774 ======================================== Energy: 0.2187870452952335 Energy: 0.20644413629346667 Energy: 0.21878704529553192 Energy: 0.2064441362931682 Energy: 0.21878704529642726 Energy: 0.2064441362937651 Energy: 0.24675423096613353 Energy: 0.21709012077386178 Energy: 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energy = 0.2127749984747458 eV minimum distance = 2.72362262834128 Angstroms sigma value = 3 ======================================== theta = 77.88488253796277 ======================================== Energy: 0.3329152006748499 Energy: 0.2793084651586805 Energy: 0.3329152006743071 Energy: 0.2793084651592234 Energy: 0.33291520067539276 Energy: 0.2793084651589766 Energy: 0.2912920414513933 Energy: 0.2812589870062083 Energy: 0.2912920414530219 Energy: 0.2812589870062083 Energy: 0.29129204145247906 Energy: 0.28125898700675117 Energy: 0.297295854420751 Energy: 0.33479765141530443 Energy: 0.29729585442154055 Energy: 0.3347976514156006 Energy: 0.297295854420751 Energy: 0.3347976514156006 Energy: 0.28134078999512985 Energy: 0.2795650090905954 Energy: 0.28134078999621553 Energy: 0.27956500909143434 Energy: 0.2813407899953766 Energy: 0.2795650090908915 Energy: 0.29361590119882347 Energy: 0.29741881509483553 Energy: 0.2936159011985768 Energy: 0.2974188150953784 Energy: 0.29361590119936637 Energy: 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0.3038272047062478 Energy: 0.2830984681167785 Energy: 0.284154390402566 Energy: 0.26260148877477707 Energy: 0.28415439040375096 Energy: 0.26260148877477707 Energy: 0.284154390402566 Energy: 0.26260148877477707 Energy: 0.3148575774689777 Energy: 0.28936901794754444 Energy: 0.31485757746779275 Energy: 0.28936901794754444 Energy: 0.3148575774689777 Energy: 0.28936901794754444 Energy: 0.291686101541112 Energy: 0.26911740343002827 Energy: 0.291686101541112 Energy: 0.26911740342647344 Energy: 0.291686101541112 Energy: 0.2691174034282508 Energy: 0.2869212035838269 Energy: 0.2977744800930696 Energy: 0.28692120358560425 Energy: 0.2977744800930696 Energy: 0.28692120358501183 Energy: 0.2977744800936621 minimum gb energy = 0.23948038090353446 eV minimum distance = 2.68031184828728 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 0.3195221327738332 Energy: 0.2433580337779465 Energy: 0.3195221327738332 Energy: 0.2433580337779465 Energy: 0.3195221327738332 Energy: 0.2433580337779465 Energy: 0.26756166808571885 Energy: 0.22615078384973228 Energy: 0.26756166808571885 Energy: 0.22615078384973228 Energy: 0.267561668084881 Energy: 0.22615078384973228 Energy: 0.2920225829568015 Energy: 0.2630914942201184 Energy: 0.2920225829559636 Energy: 0.26309149421928046 Energy: 0.2920225829568015 Energy: 0.2630914942201184 Energy: 0.2965546866238901 Energy: 0.25607723765638457 Energy: 0.29655468662472806 Energy: 0.25607723765638457 Energy: 0.2965546866238901 Energy: 0.2560772376555467 Energy: 0.3007965348843536 Energy: 0.24794450326591316 Energy: 0.3007965348843536 Energy: 0.24794450326591316 Energy: 0.30079653488351565 Energy: 0.24794450326591316 Energy: 0.24769697831396015 Energy: 0.22612499451180235 Energy: 0.24769697831396015 Energy: 0.22612499451180235 Energy: 0.247696978314798 Energy: 0.22612499451180235 Energy: 0.22459000637830331 Energy: 0.24909262839381618 Energy: 0.22459000637830331 Energy: 0.24909262839381618 Energy: 0.22459000637830331 Energy: 0.24909262839381618 Energy: 0.29664084473100627 Energy: 0.29156050232058084 Energy: 0.29664084473100627 Energy: 0.29156050232058084 Energy: 0.29664084473100627 Energy: 0.29156050232058084 Energy: 0.259417943135856 Energy: 0.2259874255628314 Energy: 0.259417943135856 Energy: 0.22598742556366927 Energy: 0.259417943135856 Energy: 0.22598742556366927 Energy: 0.249340023730134 Energy: 0.23845281683846087 Energy: 0.24934002373097186 Energy: 0.23845281683846087 Energy: 0.24934002373097186 Energy: 0.23845281683846087 Energy: 0.24427220772643513 Energy: 0.2770214886896284 Energy: 0.24427220772559727 Energy: 0.2770214886896284 Energy: 0.24427220772559727 Energy: 0.2770214886896284 Energy: 0.2957139949246268 Energy: 0.2924032337277531 Energy: 0.2957139949246268 Energy: 0.2924032337277531 Energy: 0.2957139949237889 Energy: 0.2924032337277531 Energy: 0.22453230190370194 Energy: 0.2694527405176643 Energy: 0.2245323019045398 Energy: 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Energy: 0.3142893137034518 Energy: 0.2342962770088808 Energy: 0.31428931370312824 Energy: 0.2342962770088808 Energy: 0.2725117375643143 Energy: 0.22203758810283009 Energy: 0.2725117375643143 Energy: 0.22203758810283009 Energy: 0.2725117375656085 Energy: 0.22203758810315366 Energy: 0.2506739223456725 Energy: 0.2479911890028494 Energy: 0.25067392234534897 Energy: 0.2479911890028494 Energy: 0.25067392234631963 Energy: 0.2479911890028494 Energy: 0.2929064615313988 Energy: 0.23826667828934583 Energy: 0.2929064615310753 Energy: 0.23826667828934583 Energy: 0.2929064615317224 Energy: 0.23826667828934583 Energy: 0.27369285901578155 Energy: 0.2222454747125968 Energy: 0.27369285901578155 Energy: 0.22224547471292042 Energy: 0.27369285901481094 Energy: 0.2222454747125968 Energy: 0.2491151477280827 Energy: 0.23904683275642216 Energy: 0.24911514772840623 Energy: 0.23904683275642216 Energy: 0.2491151477287298 Energy: 0.23904683276321698 Energy: 0.2381198154916749 Energy: 0.23679111770888508 Energy: 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0.22199209288082283 Energy: 0.2305660667845757 Energy: 0.22199209288187652 Energy: 0.2305660667845757 Energy: 0.22199209288134966 Energy: 0.2305660667845757 Energy: 0.23152461301088148 Energy: 0.28272507072871345 Energy: 0.23152461301298885 Energy: 0.2827250707292403 Energy: 0.23152461301193517 Energy: 0.2827250707292403 Energy: 0.2345808923632845 Energy: 0.28542680857595965 Energy: 0.23458089236433818 Energy: 0.28542680857595965 Energy: 0.23458089236170399 Energy: 0.2854268085764865 Energy: 0.2228258092699971 Energy: 0.23088699291534387 Energy: 0.22282580926947024 Energy: 0.23088699291534387 Energy: 0.22282580926841658 Energy: 0.2308869929158707 Energy: 0.2153638909318103 Energy: 0.26874916613385424 Energy: 0.21536389093022976 Energy: 0.26874916613385424 Energy: 0.21536389092917613 Energy: 0.26874916613438105 minimum gb energy = 0.20346990692200345 eV minimum distance = 2.63098661441574 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 0.2847506816102394 Energy: 0.20027926157159173 Energy: 0.28475068160947176 Energy: 0.20027926157197562 Energy: 0.28475068160985556 Energy: 0.20027926157197562 Energy: 0.22395828642994853 Energy: 0.19227419207512053 Energy: 0.22395828643071627 Energy: 0.19227419207550434 Energy: 0.2239582864291808 Energy: 0.19227419207512053 Energy: 0.21712739044532006 Energy: 0.20727473669533678 Energy: 0.21712739044647164 Energy: 0.20727473669572063 Energy: 0.21712739044570392 Energy: 0.20727473669572063 Energy: 0.26804352035944695 Energy: 0.20848269011927145 Energy: 0.26804352036021467 Energy: 0.20848269012003914 Energy: 0.26804352035983076 Energy: 0.20848269011965528 Energy: 0.2243696394309881 Energy: 0.17847791426376933 Energy: 0.22436963943022037 Energy: 0.17847791426376933 Energy: 0.2243696394294527 Energy: 0.17847791426376933 Energy: 0.20034247593385854 Energy: 0.18860959835561536 Energy: 0.2003424759357778 Energy: 0.18860959835561536 Energy: 0.20034247593462626 Energy: 0.1886095983559992 Energy: 0.25761694114886324 Energy: 0.19601782474080842 Energy: 0.257616941149631 Energy: 0.1960178247404246 Energy: 0.25761694114886324 Energy: 0.19601782473812146 Energy: 0.22514089904202578 Energy: 0.17873732211351523 Energy: 0.22514089904087425 Energy: 0.17873732211389912 Energy: 0.22514089904202578 Energy: 0.17873732211466684 Energy: 0.19860408479104152 Energy: 0.1901136874508655 Energy: 0.19860408479104152 Energy: 0.19011368745124935 Energy: 0.19860408479104152 Energy: 0.19011368745124935 Energy: 0.21592607234721373 Energy: 0.19107892741600194 Energy: 0.21592607234874914 Energy: 0.1910789274144665 Energy: 0.21592607234874914 Energy: 0.19107892741408267 Energy: 0.24317781931443846 Energy: 0.1891620489168315 Energy: 0.24317781931328689 Energy: 0.1891620489160638 Energy: 0.24317781931367072 Energy: 0.18916204891644764 Energy: 0.1917770981564717 Energy: 0.19073788859524288 Energy: 0.19177709815573887 Energy: 0.19073788859562676 Energy: 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0.19774721486223984 Energy: 0.2331160207275533 Energy: 0.1894593235298968 Energy: 0.20760039852365791 Energy: 0.18945932352912911 Energy: 0.20760039852365791 Energy: 0.18945932352912911 Energy: 0.20760039852365791 Energy: 0.18283003412110843 Energy: 0.22177450179720246 Energy: 0.18283003412110843 Energy: 0.2217745017975863 Energy: 0.18283003412149226 Energy: 0.22177450179720246 Energy: 0.2147700851800105 Energy: 0.28102525374859627 Energy: 0.2147700851796267 Energy: 0.28102525374859627 Energy: 0.2147700851800105 Energy: 0.28102525374859627 Energy: 0.2104301778500195 Energy: 0.22495040649791312 Energy: 0.21043017784963564 Energy: 0.22495040649791312 Energy: 0.2104301778500195 Energy: 0.22495040649791312 Energy: 0.194337261471972 Energy: 0.22414375531475356 Energy: 0.1943372614723559 Energy: 0.22414375531475356 Energy: 0.1943372614723559 Energy: 0.22414375531436967 Energy: 0.2112909178378768 Energy: 0.2805088332402288 Energy: 0.21129091783826068 Energy: 0.2805088332402288 Energy: 0.21129091783749296 Energy: 0.2805088332402288 Energy: 0.18036768366471734 Energy: 0.2266542762355221 Energy: 0.18036768366471734 Energy: 0.2266542762351382 Energy: 0.18036768366510117 Energy: 0.2266542762355221 Energy: 0.1871649494696824 Energy: 0.20574683860064646 Energy: 0.1871649494700663 Energy: 0.20574683860103035 Energy: 0.1871649494696824 Energy: 0.20574683860103035 Energy: 0.20902448036496807 Energy: 0.26575537160180707 Energy: 0.20902448036496807 Energy: 0.26575537160142315 Energy: 0.2090244803653519 Energy: 0.26575537160142315 Energy: 0.1762051020661873 Energy: 0.22497017669008273 Energy: 0.17620510206580345 Energy: 0.22497017668931502 Energy: 0.17620510206580345 Energy: 0.22497017669008273 Energy: 0.1871773142509016 Energy: 0.1975222638805527 Energy: 0.18717731425013387 Energy: 0.19752226388093658 Energy: 0.1871773142505177 Energy: 0.19752226388093658 Energy: 0.1952374579468795 Energy: 0.2574720903149678 Energy: 0.19523745794726333 Energy: 0.25747209031420015 Energy: 0.19523745794611178 Energy: 0.2574720903149678 Energy: 0.17867805993742567 Energy: 0.2254044307391043 Energy: 0.17867805993627411 Energy: 0.2254044307391043 Energy: 0.20128809418251073 Energy: 0.22540443074179126 Energy: 0.1871926400612934 Energy: 0.1998283296065642 Energy: 0.1871926400616773 Energy: 0.1998283296061803 Energy: 0.1871926400612934 Energy: 0.19982832960694805 Energy: 0.18992896443774743 Energy: 0.25859165754808733 Energy: 0.18992896443774743 Energy: 0.25859165754808733 Energy: 0.1899289644381313 Energy: 0.2585916575484712 Energy: 0.19577215695418818 Energy: 0.24463119088507854 Energy: 0.19577215695457206 Energy: 0.24463119088469468 Energy: 0.19577215695418818 Energy: 0.24463119088507854 Energy: 0.18764844420166718 Energy: 0.22669983039613426 Energy: 0.18764844420205107 Energy: 0.22669983039613426 Energy: 0.18764844420320262 Energy: 0.22669983039651811 Energy: 0.17859639193991317 Energy: 0.21634083982238744 Energy: 0.17859639193914542 Energy: 0.21634083982238744 Energy: 0.17859639194029703 Energy: 0.21634083982238744 minimum gb energy = 0.17620510206580345 eV minimum distance = 2.62128892943748 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.028653453074468694 Energy: 0.04866651304890373 Energy: 0.028653453074468694 Energy: 0.04866651304890373 Energy: 0.028653453074468694 Energy: 0.04866651304890373 Energy: 0.13563473164695478 Energy: 0.029996890436320253 Energy: 0.13563473164695478 Energy: 0.029996890437730628 Energy: 0.13563473164695478 Energy: 0.029996890436320253 Energy: 0.13563731034057977 Energy: 0.03002886439559557 Energy: 0.13563731034057977 Energy: 0.03002886439418519 Energy: 0.13563731034057977 Energy: 0.03002886439418519 Energy: 0.028653453074468694 Energy: 0.04866651304890373 Energy: 0.028653453074468694 Energy: 0.04866651304890373 Energy: 0.028653453074468694 Energy: 0.04866651304890373 Energy: 0.13563473164695478 Energy: 0.029996890437730628 Energy: 0.13563473164695478 Energy: 0.029996890437730628 Energy: 0.13563473164695478 Energy: 0.029996890437730628 Energy: 0.13563731034057977 Energy: 0.03002886439418519 Energy: 0.13563731034057977 Energy: 0.03002886439277482 Energy: 0.13563731034057977 Energy: 0.03002886439418519 Energy: 0.028653453074468694 Energy: 0.04866651304890373 Energy: 0.028653453074468694 Energy: 0.04866651304890373 Energy: 0.028653453074468694 Energy: 0.04866651304890373 Energy: 0.13563473164695478 Energy: 0.029996890436320253 Energy: 0.13563473164695478 Energy: 0.029996890437730628 Energy: 0.1356347316455444 Energy: 0.029996890437730628 Energy: 0.13563731034057977 Energy: 0.03002886439418519 Energy: 0.13563731034057977 Energy: 0.03002886439277482 Energy: 0.13563731034057977 Energy: 0.03002886439418519 Energy: 0.028653453074468694 Energy: 0.04866651304890373 Energy: 0.028653453074468694 Energy: 0.04866651304890373 Energy: 0.028653453074468694 Energy: 0.04866651304890373 minimum gb energy = 0.028653453074468694 eV minimum distance = 2.8347840509928 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 0.2544699463811903 Energy: 0.18273682920289208 Energy: 0.2544699463816124 Energy: 0.18273682920247003 Energy: 0.2544699463816124 Energy: 0.18273682920247003 Energy: 0.19921885102138592 Energy: 0.19286264963035016 Energy: 0.19921885102180797 Energy: 0.19286264962992808 Energy: 0.1992188510205418 Energy: 0.19286264962992808 Energy: 0.21995855635860842 Energy: 0.19354213479136498 Energy: 0.21995855635903044 Energy: 0.19354213479136498 Energy: 0.21995855635860842 Energy: 0.19354213479094293 Energy: 0.23860716099738735 Energy: 0.18677651052788402 Energy: 0.2386071609978094 Energy: 0.18677651052746194 Energy: 0.23860716099738735 Energy: 0.18677651052746194 Energy: 0.17071665320218335 Energy: 0.2011775107471146 Energy: 0.1707166532026054 Energy: 0.20117751074669254 Energy: 0.1707166532026054 Energy: 0.20117751074669254 Energy: 0.20587793004528315 Energy: 0.21059225660606418 Energy: 0.2058779300457052 Energy: 0.21059225660606418 Energy: 0.2058779300457052 Energy: 0.21059225660606418 Energy: 0.2199587015251574 Energy: 0.19090349588093916 Energy: 0.21995870152473534 Energy: 0.19090349588093916 Energy: 0.2199587015251574 Energy: 0.19090349588093916 Energy: 0.17220901334458383 Energy: 0.20030869210163715 Energy: 0.17220901334542796 Energy: 0.20030869210163715 Energy: 0.17220901334458383 Energy: 0.20030869210205923 Energy: 0.2099767657120567 Energy: 0.21453421641406373 Energy: 0.20997676571245957 Energy: 0.21453421641448578 Energy: 0.2099767657120567 Energy: 0.21453421641448578 Energy: 0.19976696235058206 Energy: 0.1854071875902597 Energy: 0.1997669623522703 Energy: 0.1854071875911038 Energy: 0.19976696235100413 Energy: 0.18540718759068173 Energy: 0.17832709969209068 Energy: 0.21877386018846282 Energy: 0.17832709969209068 Energy: 0.21877386018804076 Energy: 0.1783270996929348 Energy: 0.21877386018804076 Energy: 0.21856842701293813 Energy: 0.2240802719324604 Energy: 0.218568427012094 Energy: 0.22408027193288246 Energy: 0.21856842701251605 Energy: 0.2240802719324604 Energy: 0.19315793587571478 Energy: 0.1783062051265127 Energy: 0.1931579358744486 Energy: 0.1783062051265127 Energy: 0.19315793587571478 Energy: 0.1783062051265127 Energy: 0.19279338912007163 Energy: 0.22468636038187537 Energy: 0.19279338912007163 Energy: 0.22468636038229742 Energy: 0.19279338912007163 Energy: 0.22468636038187537 Energy: 0.21197363852258308 Energy: 0.2190648240178611 Energy: 0.21197363852216103 Energy: 0.2190648240178611 Energy: 0.21197363852216103 Energy: 0.2190648240178611 Energy: 0.17814907866758242 Energy: 0.17174817999323352 Energy: 0.17814907866758242 Energy: 0.1717481799898762 Energy: 0.17814907866800447 Energy: 0.1717481799898762 Energy: 0.19393567513080673 Energy: 0.22709400352350084 Energy: 0.19393567513038468 Energy: 0.22709400352307874 Energy: 0.19393567513080673 Energy: 0.22709400352350084 Energy: 0.1940907692677012 Energy: 0.2070534796024881 Energy: 0.19409076926685703 Energy: 0.20705347960206608 Energy: 0.19409076926685703 Energy: 0.2070534796024881 Energy: 0.19414239159025398 Energy: 0.17122627799865595 Energy: 0.1941423915906761 Energy: 0.17122627799865595 Energy: 0.1941423915906761 Energy: 0.17122627799865595 Energy: 0.19004736648560264 Energy: 0.2385256645687718 Energy: 0.19004736648518064 Energy: 0.2385256645687718 Energy: 0.19004736648518064 Energy: 0.23852566456834973 Energy: 0.19645475887673705 Energy: 0.1985939985448499 Energy: 0.1964547588771591 Energy: 0.19859399854442789 Energy: 0.19645475887673705 Energy: 0.1985939985448499 Energy: 0.1771287587947171 Energy: 0.20686077858960683 Energy: 0.17712875879429504 Energy: 0.20686077858960683 Energy: 0.17712875879345094 Energy: 0.20686077858960683 Energy: 0.1975061033429107 Energy: 0.23973470672544592 Energy: 0.1975061033424886 Energy: 0.23973470672544592 Energy: 0.1975061033429107 Energy: 0.2397347067250239 Energy: 0.20094466552086998 Energy: 0.16877695251319716 Energy: 0.20094466552086998 Energy: 0.16877695251361924 Energy: 0.20094466552086998 Energy: 0.16877695251404126 Energy: 0.21010739858991476 Energy: 0.18829393279484813 Energy: 0.21010739858949268 Energy: 0.18829393279484813 Energy: 0.21010739859033678 Energy: 0.18829393279484813 Energy: 0.19124717370447705 Energy: 0.21938679929729216 Energy: 0.1912471737048991 Energy: 0.2193867992968701 Energy: 0.1912471737048991 Energy: 0.2193867992968701 Energy: 0.2220156200519356 Energy: 0.16967060055704186 Energy: 0.22201562005024736 Energy: 0.1696706005574639 Energy: 0.2220156200519356 Energy: 0.1696706005574639 Energy: 0.22106785866713902 Energy: 0.21449875313980998 Energy: 0.22106785866671697 Energy: 0.21449875313980998 Energy: 0.22106785866671697 Energy: 0.21449875313980998 Energy: 0.1891835443360055 Energy: 0.1919029992995504 Energy: 0.1891835443368496 Energy: 0.1919029992995504 Energy: 0.1891835443360055 Energy: 0.1919029992995504 Energy: 0.23190454089181098 Energy: 0.1752510569521666 Energy: 0.23190454089181098 Energy: 0.17525105695174453 Energy: 0.23190454089181098 Energy: 0.17525105695174453 Energy: 0.22354174216848 Energy: 0.20936093760624716 Energy: 0.22354174216848 Energy: 0.20936093760624716 Energy: 0.22354174216848 Energy: 0.2093609376066692 Energy: 0.18152189681826614 Energy: 0.17633204220446583 Energy: 0.18152189681784411 Energy: 0.17633204220446583 Energy: 0.18152189681826614 Energy: 0.17633204220446583 Energy: 0.23108062192921078 Energy: 0.18995118148700754 Energy: 0.23108062192963283 Energy: 0.18995118148658546 Energy: 0.23108062192963283 Energy: 0.18995118148700754 minimum gb energy = 0.16877695251319716 eV minimum distance = 2.653718778242 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 0.26917695477173975 Energy: 0.24207312947261786 Energy: 0.2691769547729152 Energy: 0.24207312947321927 Energy: 0.2691769547729152 Energy: 0.24207312947261786 Energy: 0.23449751267067 Energy: 0.23414131511033717 Energy: 0.2344975126700686 Energy: 0.23414131511033717 Energy: 0.23449751267067 Energy: 0.23414131511033717 Energy: 0.2528495884166931 Energy: 0.23484980434328487 Energy: 0.2528495884154903 Energy: 0.23484980434328487 Energy: 0.2528495884166931 Energy: 0.23484980434328487 Energy: 0.2564449495810059 Energy: 0.2389698426417566 Energy: 0.2564449495786003 Energy: 0.2389698426417566 Energy: 0.2564449495798031 Energy: 0.2389698426417566 Energy: 0.2094435310855297 Energy: 0.23497974452506973 Energy: 0.20944353108613115 Energy: 0.23497974452506973 Energy: 0.2094435310855297 Energy: 0.23497974452506973 Energy: 0.24837366907999917 Energy: 0.2513761055583077 Energy: 0.24837366908060055 Energy: 0.25137610555890905 Energy: 0.24837366907999917 Energy: 0.2513761055583077 Energy: 0.23911973712258258 Energy: 0.22855447991033892 Energy: 0.23911973712198115 Energy: 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0.20764607441677968 Energy: 0.2453392761859712 Energy: 0.2076460744161783 Energy: 0.2288904059138608 Energy: 0.26707874128677234 Energy: 0.2288904059144622 Energy: 0.26707874128617093 Energy: 0.2288904059138608 Energy: 0.26707874128617093 Energy: 0.23089317210786367 Energy: 0.23332858663134323 Energy: 0.23089317210786367 Energy: 0.23332858663134323 Energy: 0.23089317210786367 Energy: 0.23332858663134323 Energy: 0.22026141920695802 Energy: 0.24110845242119436 Energy: 0.22026141920575526 Energy: 0.24110845242119436 Energy: 0.22026141920695802 Energy: 0.24110845242119436 Energy: 0.23185215107022128 Energy: 0.25845054635965337 Energy: 0.23185215106904583 Energy: 0.2584505463602548 Energy: 0.23185215107022128 Energy: 0.2584505463602548 Energy: 0.23609032480680683 Energy: 0.20745527973629077 Energy: 0.23609032480680683 Energy: 0.20745527973629077 Energy: 0.23609032480740821 Energy: 0.20745527973629077 Energy: 0.2629896135976505 Energy: 0.25279696104470445 Energy: 0.2629896136006575 Energy: 0.25279696104470445 Energy: 0.26298961359825196 Energy: 0.25279696104410304 Energy: 0.2074298860736451 Energy: 0.23430385055483727 Energy: 0.20742988607544927 Energy: 0.2343038505542359 Energy: 0.20742988607544927 Energy: 0.23430385055483727 Energy: 0.25654074652110687 Energy: 0.23958837009134504 Energy: 0.2565407465223096 Energy: 0.23958837009134504 Energy: 0.25654074652110687 Energy: 0.23958837009134504 Energy: 0.2622600767611887 Energy: 0.268422939557359 Energy: 0.2622600767611887 Energy: 0.2684229395567576 Energy: 0.2622600767611887 Energy: 0.268422939557359 Energy: 0.2282765120980129 Energy: 0.24668397530151523 Energy: 0.22827651209921565 Energy: 0.24668397530091388 Energy: 0.2282765120974115 Energy: 0.24668397530151523 minimum gb energy = 0.2074298860736451 eV minimum distance = 2.65737129564898 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 0.2790112679837895 Energy: 0.24508593955584423 Energy: 0.27901126798455245 Energy: 0.24508593955584423 Energy: 0.279011267984171 Energy: 0.24508593955584423 Energy: 0.24602564531862392 Energy: 0.2564752884836134 Energy: 0.24602564531633492 Energy: 0.2564752884832319 Energy: 0.24602564531786095 Energy: 0.2564752884839949 Energy: 0.2679098137220405 Energy: 0.2642503289070024 Energy: 0.2679098137212774 Energy: 0.26425032890662087 Energy: 0.2679098137220405 Energy: 0.26425032890738387 Energy: 0.27079732695718434 Energy: 0.24992664926201424 Energy: 0.2707973269568028 Energy: 0.24992664926201424 Energy: 0.27079732695718434 Energy: 0.24992664926201424 Energy: 0.24773201415818313 Energy: 0.261617382292203 Energy: 0.24773201415970914 Energy: 0.261617382292203 Energy: 0.2477320141585646 Energy: 0.2616173822925845 Energy: 0.2782424432477098 Energy: 0.2801565261146114 Energy: 0.2782424432480914 Energy: 0.2955477069422975 Energy: 0.27824244324847286 Energy: 0.2801474750405972 Energy: 0.2523144497421397 Energy: 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Energy: 0.27597817452070084 Energy: 0.24986823337427308 Energy: 0.2759781745210823 Energy: 0.24986823337427308 Energy: 0.2573210350719097 Energy: 0.26541921436202887 Energy: 0.2573210350703836 Energy: 0.26541921436202887 Energy: 0.25732103507152815 Energy: 0.26541921436202887 Energy: 0.2527471369446932 Energy: 0.25649363631344746 Energy: 0.25274713694393025 Energy: 0.25649363631344746 Energy: 0.25274713694354867 Energy: 0.25649363631344746 Energy: 0.27071571203260253 Energy: 0.2572474054159378 Energy: 0.2707157120333656 Energy: 0.2572474054159378 Energy: 0.27071571203260253 Energy: 0.25724740541555635 Energy: 0.24069282049201526 Energy: 0.26478593850984505 Energy: 0.2406928204931598 Energy: 0.2647859385102265 Energy: 0.24069282049201526 Energy: 0.26478593850984505 Energy: 0.2772173605402846 Energy: 0.2668423272075549 Energy: 0.27721736053990315 Energy: 0.2668423272071733 Energy: 0.2772173605391748 Energy: 0.2668423272075549 Energy: 0.2474193815696179 Energy: 0.2480749530047547 Energy: 0.24741938156923637 Energy: 0.2480749530047547 Energy: 0.24741938157038093 Energy: 0.24807495300437318 Energy: 0.25310223620337263 Energy: 0.25564802543517956 Energy: 0.25310223620451716 Energy: 0.2556480254347981 Energy: 0.25310223620337263 Energy: 0.25564802543517956 Energy: 0.2723441523528646 Energy: 0.2655201743900745 Energy: 0.2723441523536276 Energy: 0.2655201743900745 Energy: 0.2723441523528646 Energy: 0.2655201743900745 Energy: 0.2546226826530463 Energy: 0.23028724225191102 Energy: 0.2546226826541908 Energy: 0.23028724225191102 Energy: 0.2546226826538093 Energy: 0.23028724225152958 Energy: 0.26198351556079263 Energy: 0.2778993080962934 Energy: 0.2619835155615557 Energy: 0.2778993080962934 Energy: 0.26198351556041116 Energy: 0.2778993080962934 Energy: 0.2702383752909158 Energy: 0.2562548246729637 Energy: 0.27023837529129735 Energy: 0.2562548246725822 Energy: 0.2702383752901528 Energy: 0.2562548246729637 Energy: 0.2526969466865822 Energy: 0.25432961586026054 Energy: 0.25269694668620074 Energy: 0.25432961585987907 Energy: 0.25269694668581916 Energy: 0.25432961585987907 Energy: 0.2639819191300531 Energy: 0.27717932112984595 Energy: 0.2639819191292901 Energy: 0.27717932112984595 Energy: 0.2639819191300531 Energy: 0.27717932112984595 Energy: 0.25229637564884316 Energy: 0.2279038316031517 Energy: 0.25229637564960616 Energy: 0.2279038316031517 Energy: 0.2522963756499877 Energy: 0.2279038316031517 Energy: 0.2552950645533843 Energy: 0.2845716300004244 Energy: 0.25529506455529183 Energy: 0.28457163000080593 Energy: 0.25529506455529183 Energy: 0.28457163000080593 Energy: 0.25790687633114306 Energy: 0.26200495737528523 Energy: 0.25790687632999854 Energy: 0.26200495737528523 Energy: 0.25790687633076154 Energy: 0.26200495737528523 Energy: 0.24995087194393478 Energy: 0.23990401421708124 Energy: 0.24995087194355325 Energy: 0.2399040142147922 Energy: 0.24995087194355325 Energy: 0.2399040142166997 Energy: 0.2752407034423608 Energy: 0.2839671054840697 Energy: 0.2752407034438868 Energy: 0.2839671054840697 Energy: 0.2752407034427423 Energy: 0.2839671054840697 Energy: 0.24232535610438655 Energy: 0.25503659863387546 Energy: 0.24232535610514955 Energy: 0.25503659863387546 Energy: 0.24232535610438655 Energy: 0.255036598634257 Energy: 0.2695853516702464 Energy: 0.2571047268459274 Energy: 0.2695853516710094 Energy: 0.2571047268459274 Energy: 0.26958535167062786 Energy: 0.2571047268455459 Energy: 0.25305953821931443 Energy: 0.2566398780022385 Energy: 0.25305953821893296 Energy: 0.2566398780022385 Energy: 0.25305953821931443 Energy: 0.2566398780022385 Energy: 0.2556009647502672 Energy: 0.26469629817072493 Energy: 0.2556009647498857 Energy: 0.26469629817072493 Energy: 0.2556009647498857 Energy: 0.26469629817072493 Energy: 0.2800664628176875 Energy: 0.24263340650902304 Energy: 0.28006646281692443 Energy: 0.24263340650902304 Energy: 0.28006646281692443 Energy: 0.2426334065086415 Energy: 0.24736316681246073 Energy: 0.24974655411217897 Energy: 0.24736316681246073 Energy: 0.24974655411103444 Energy: 0.24736316681246073 Energy: 0.24974655411141597 minimum gb energy = 0.2279038316031517 eV minimum distance = 2.62727622654411 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.2994367714713813 Energy: 0.302550648741166 Energy: 0.2994367714713813 Energy: 0.302550648741166 Energy: 0.2994367714713813 Energy: 0.302550648741166 Energy: 0.2878891941524189 Energy: 0.30309234788236467 Energy: 0.2878891941524189 Energy: 0.30309234788236467 Energy: 0.2878891941524189 Energy: 0.30309234788236467 Energy: 0.3300627731482855 Energy: 0.30096298427228924 Energy: 0.3259468177610829 Energy: 0.30096298427228924 Energy: 0.31464989075574124 Energy: 0.30096298427228924 Energy: 0.30272919031379353 Energy: 0.2957137759552999 Energy: 0.30272919031379353 Energy: 0.2957137759552999 Energy: 0.30272919031379353 Energy: 0.2957137759552999 Energy: 0.27874209042480774 Energy: 0.30308205377424013 Energy: 0.27874209042376613 Energy: 0.30308205377424013 Energy: 0.27874209042480774 Energy: 0.30308205377424013 Energy: 0.3214854017202387 Energy: 0.3120707584295953 Energy: 0.3214854017212803 Energy: 0.3120707584295953 Energy: 0.3214854017212803 Energy: 0.3120707584295953 Energy: 0.30207007033866745 Energy: 0.2891199577755083 Energy: 0.30207007033866745 Energy: 0.2891199577765499 Energy: 0.302070070339709 Energy: 0.2891199577765499 Energy: 0.29607480197490055 Energy: 0.30282126654133323 Energy: 0.2960748019759422 Energy: 0.3028212665402917 Energy: 0.29607480197490055 Energy: 0.30282126654133323 Energy: 0.2906804427988613 Energy: 0.2825828385480435 Energy: 0.2906804427988613 Energy: 0.2825828385480435 Energy: 0.2906804427988613 Energy: 0.2825828385480435 Energy: 0.30119174693192197 Energy: 0.2973289235207764 Energy: 0.30119174693192197 Energy: 0.2973289235207764 Energy: 0.30119174693192197 Energy: 0.2973289235207764 Energy: 0.2896918297297102 Energy: 0.30315272763604734 Energy: 0.2896918297297102 Energy: 0.30315272763604734 Energy: 0.2896918297297102 Energy: 0.30315272763604734 Energy: 0.2969424686225552 Energy: 0.3055106544607528 Energy: 0.2969424686225552 Energy: 0.3055106544607528 Energy: 0.2969424686225552 Energy: 0.3055106544607528 Energy: 0.31158589479361476 Energy: 0.3050186416664322 Energy: 0.31158589479361476 Energy: 0.3050186416664322 Energy: 0.31158589479361476 Energy: 0.3050186416664322 Energy: 0.28186816244996404 Energy: 0.3032560236559494 Energy: 0.28186816244996404 Energy: 0.3032560236559494 Energy: 0.28186816245100565 Energy: 0.3032560236559494 minimum gb energy = 0.27874209042376613 eV minimum distance = 2.58737685288415 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 0.33416050533498604 Energy: 0.33780175935868406 Energy: 0.33416050533498604 Energy: 0.33780175935868406 Energy: 0.33416050533498604 Energy: 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0.32235850796503585 Energy: 0.3191990589735279 Energy: 0.3250287818549498 Energy: 0.3191990589735279 Energy: 0.3250287818549498 Energy: 0.3191990589735279 Energy: 0.3250287818549498 Energy: 0.31537329597139035 Energy: 0.3187866027057344 Energy: 0.31537329597184793 Energy: 0.31878660270619197 Energy: 0.31537329597139035 Energy: 0.3187866027057344 Energy: 0.32899130772475205 Energy: 0.331891895426596 Energy: 0.32899130772520957 Energy: 0.331891895426596 Energy: 0.3289913077242944 Energy: 0.331891895426596 Energy: 0.326224307040393 Energy: 0.32418910149392677 Energy: 0.326224307040393 Energy: 0.32418910149392677 Energy: 0.32622430704085065 Energy: 0.32418910149392677 Energy: 0.3294216116234975 Energy: 0.3257271085700181 Energy: 0.3294216116225823 Energy: 0.3257271085700181 Energy: 0.3294216116234975 Energy: 0.3257271085700181 Energy: 0.32258925706791786 Energy: 0.3282367342211966 Energy: 0.32258925706837543 Energy: 0.3282367342211966 Energy: 0.32258925706791786 Energy: 0.3282367342211966 Energy: 0.31903635626394794 Energy: 0.3283867065194715 Energy: 0.3190363562630328 Energy: 0.3283867065194715 Energy: 0.31903635626394794 Energy: 0.3283867065194715 Energy: 0.32305827720367936 Energy: 0.33545405498674546 Energy: 0.3230582772045945 Energy: 0.33545405498674546 Energy: 0.32305827720413693 Energy: 0.33545405498674546 Energy: 0.32602038776404685 Energy: 0.3186558680806332 Energy: 0.32602038776496206 Energy: 0.31865586808109075 Energy: 0.32602038776358927 Energy: 0.3186558680806332 Energy: 0.31903988302295744 Energy: 0.32830339437800077 Energy: 0.31903988302249986 Energy: 0.32830339437800077 Energy: 0.31903988302295744 Energy: 0.32830339437800077 Energy: 0.3185239021768623 Energy: 0.31371528722529773 Energy: 0.3185239021768623 Energy: 0.31371528722529773 Energy: 0.3185239021768623 Energy: 0.31371528722529773 Energy: 0.3253138805257474 Energy: 0.3401010157709473 Energy: 0.3253138805257474 Energy: 0.3401010157709473 Energy: 0.3253138805257474 Energy: 0.3401010157709473 minimum gb energy = 0.31110904845097503 eV minimum distance = 2.58865146071679 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 0.3081032506842749 Energy: 0.31014644322019685 Energy: 0.3081032506834606 Energy: 0.31014644322019685 Energy: 0.3081032506842749 Energy: 0.31014644322019685 Energy: 0.3121138597598979 Energy: 0.35403991779697996 Energy: 0.31211385975826933 Energy: 0.35403991779697996 Energy: 0.3121138597598979 Energy: 0.35403991779697996 Energy: 0.3305771342809222 Energy: 0.3334607444879803 Energy: 0.3305771342809222 Energy: 0.3334607444879803 Energy: 0.3305771342809222 Energy: 0.3334607444879803 Energy: 0.3105859114114991 Energy: 0.41081835515188403 Energy: 0.3105859114123134 Energy: 0.43244142894569937 Energy: 0.3105859114114991 Energy: 0.355848294647433 Energy: 0.3306319270816783 Energy: 0.33346765575927845 Energy: 0.3306319270816783 Energy: 0.33346765575927845 Energy: 0.3306319270808641 Energy: 0.33346765575927845 Energy: 0.31214546078098293 Energy: 0.3490710822682001 Energy: 0.31214546078505434 Energy: 0.3490710822682001 Energy: 0.31214546078098293 Energy: 0.3490710822682001 Energy: 0.3081032506834606 Energy: 0.31014644321938256 Energy: 0.3081032506834606 Energy: 0.31014644321938256 Energy: 0.3081032506834606 Energy: 0.31014644321938256 Energy: 0.3121138597598979 Energy: 0.35403991779697996 Energy: 0.31211385975664085 Energy: 0.35403991779697996 Energy: 0.3121138597607122 Energy: 0.35403991779697996 Energy: 0.33057713428255076 Energy: 0.3334607444879803 Energy: 0.3305771342809222 Energy: 0.333460744487166 Energy: 0.33057713428173646 Energy: 0.333460744487166 Energy: 0.3105859114123134 Energy: 0.35584829464824724 Energy: 0.3105859114123134 Energy: 0.355848294647433 Energy: 0.3105859114123134 Energy: 0.35584829464824724 Energy: 0.3306319270833069 Energy: 0.33346765575687265 Energy: 0.3306319270824926 Energy: 0.33346765575687265 Energy: 0.3306319270824926 Energy: 0.33346765575687265 Energy: 0.3121454607817972 Energy: 0.3468901080325796 Energy: 0.3121454607826115 Energy: 0.3468901080325796 Energy: 0.31214546078342575 Energy: 0.3468901080301367 Energy: 0.3081032506834606 Energy: 0.31014644321938256 Energy: 0.3081032506834606 Energy: 0.31014644322019685 Energy: 0.3081032506842749 Energy: 0.31014644322019685 Energy: 0.3121138597574551 Energy: 0.35403991779616567 Energy: 0.3121138597590836 Energy: 0.35403991779616567 Energy: 0.3121138597590836 Energy: 0.3540399177977942 Energy: 0.33057713428255076 Energy: 0.3334607444879803 Energy: 0.33057713428173646 Energy: 0.3334607444879803 Energy: 0.3305771342809222 Energy: 0.3334607444879803 Energy: 0.3105859114114991 Energy: 0.35584829464824724 Energy: 0.3105859114123134 Energy: 0.355848294647433 Energy: 0.3105859114123134 Energy: 0.355848294647433 Energy: 0.3306319270808641 Energy: 0.33346765575927845 Energy: 0.3306319270808641 Energy: 0.3334676557584642 Energy: 0.3306319270808641 Energy: 0.33346765575927845 minimum gb energy = 0.3081032506834606 eV minimum distance = 2.59670520135657 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 0.3352680843654451 Energy: 0.3397004322592585 Energy: 0.3352680843654451 Energy: 0.3397004322592585 Energy: 0.3352680843654451 Energy: 0.3397004322592585 Energy: 0.33753847659210173 Energy: 0.32925626294571686 Energy: 0.33753847659077196 Energy: 0.32925626294571686 Energy: 0.33753847659210173 Energy: 0.32925626294571686 Energy: 0.3322670891716159 Energy: 0.329407463535176 Energy: 0.3388267703076698 Energy: 0.329407463535176 Energy: 0.32797180438454165 Energy: 0.329407463535176 Energy: 0.32238001326673604 Energy: 0.35725511643438146 Energy: 0.32238001326673604 Energy: 0.35725511643438146 Energy: 0.32238001326607113 Energy: 0.35725511643438146 Energy: 0.3339860189349412 Energy: 0.33114407856954625 Energy: 0.33398601893560603 Energy: 0.3311440785688814 Energy: 0.3339860189349412 Energy: 0.3311440785688814 Energy: 0.33946508743510184 Energy: 0.32418155186037045 Energy: 0.3394650874357667 Energy: 0.32418155186037045 Energy: 0.3394650874357667 Energy: 0.32418155186037045 Energy: 0.31961367610941516 Energy: 0.3434817279954195 Energy: 0.31961367610808544 Energy: 0.34348172799608434 Energy: 0.31961367610808544 Energy: 0.3434817279954195 Energy: 0.32482979675027174 Energy: 0.342190358558323 Energy: 0.3248297967509366 Energy: 0.3421903585576581 Energy: 0.3248297967496069 Energy: 0.342190358558323 Energy: 0.36382566164756375 Energy: 0.32855215003945154 Energy: 0.36382566164756375 Energy: 0.32855215004008614 Energy: 0.3638256616482285 Energy: 0.32855215004008614 Energy: 0.3220367042737825 Energy: 0.3289899543666757 Energy: 0.3220367042731177 Energy: 0.3289899543666757 Energy: 0.3220367042737825 Energy: 0.3289899543660108 Energy: 0.3332042747961374 Energy: 0.337571237949116 Energy: 0.3332042747954725 Energy: 0.3375712379497808 Energy: 0.3332042747961374 Energy: 0.337571237949116 Energy: 0.3577525206973313 Energy: 0.32324285952676485 Energy: 0.3577525206966665 Energy: 0.32324285952676485 Energy: 0.3577525206973313 Energy: 0.32324285952676485 Energy: 0.32447828171297044 Energy: 0.3585706483960875 Energy: 0.32447828171297044 Energy: 0.3585706483960875 Energy: 0.3244782817123055 Energy: 0.3585706483960875 Energy: 0.327829889691837 Energy: 0.33101570766267185 Energy: 0.327829889691837 Energy: 0.33101570766200705 Energy: 0.3278298896925019 Energy: 0.33101570766267185 Energy: 0.35742651580444895 Energy: 0.3229450301508653 Energy: 0.35742651580444895 Energy: 0.32294503015153014 Energy: 0.35742651580444895 Energy: 0.3229450301508653 Energy: 0.3289916651137138 Energy: 0.3400599351315192 Energy: 0.3289916651137138 Energy: 0.3400599351315192 Energy: 0.32899166511437866 Energy: 0.3400599351315192 Energy: 0.3315417901129063 Energy: 0.3416505828474253 Energy: 0.331541790114236 Energy: 0.3416505828467604 Energy: 0.3315417901129063 Energy: 0.3416505828474253 Energy: 0.37416607094773346 Energy: 0.32036066908799976 Energy: 0.3741660709490631 Energy: 0.32036066908799976 Energy: 0.37416607094839827 Energy: 0.3203606690873349 Energy: 0.32785287571109656 Energy: 0.3279027169742914 Energy: 0.32785287571109656 Energy: 0.32790271697495627 Energy: 0.32785287571109656 Energy: 0.3279027169742914 Energy: 0.335887549686683 Energy: 0.3325676690895461 Energy: 0.335887549686683 Energy: 0.3325676690895461 Energy: 0.335887549686683 Energy: 0.3325676690895461 Energy: 0.3547592900427632 Energy: 0.32337933480527997 Energy: 0.35475929004342804 Energy: 0.32337933480527997 Energy: 0.3547592900427632 Energy: 0.32337933480527997 minimum gb energy = 0.31961367610808544 eV minimum distance = 2.57701540060006 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 0.3096645858891776 Energy: 0.3310774966126761 Energy: 0.30966458588973805 Energy: 0.3310774966126761 Energy: 0.30966458588973805 Energy: 0.3310774966126761 Energy: 0.30769630667757064 Energy: 0.31290587216141874 Energy: 0.30769630667813114 Energy: 0.31290587216141874 Energy: 0.3076963066786915 Energy: 0.3129058721619792 Energy: 0.31644265989530407 Energy: 0.3287369866641772 Energy: 0.31644265989306236 Energy: 0.3287369866641772 Energy: 0.3164426598947437 Energy: 0.3287369866641772 Energy: 0.3069115221838583 Energy: 0.31295371444607706 Energy: 0.30691152218273743 Energy: 0.31295371444607706 Energy: 0.306911522182177 Energy: 0.3129537144455166 Energy: 0.3110523780806803 Energy: 0.3325706837819947 Energy: 0.3110523780806803 Energy: 0.3325706837819947 Energy: 0.3110523780806803 Energy: 0.3325706837814343 Energy: 0.33325657490151633 Energy: 0.3121527973745393 Energy: 0.33325657490151633 Energy: 0.3121527973745393 Energy: 0.33325657490095595 Energy: 0.3121527973745393 Energy: 0.30881359403942615 Energy: 0.3124819991019848 Energy: 0.30881359403942615 Energy: 0.3124819991019848 Energy: 0.30881359403942615 Energy: 0.3124819991019848 Energy: 0.3339112359565165 Energy: 0.3205863641476725 Energy: 0.33391123595595606 Energy: 0.3205863641476725 Energy: 0.3339112359565165 Energy: 0.3205863641487934 Energy: 0.3129341124331704 Energy: 0.3121522344347316 Energy: 0.3129341124331704 Energy: 0.31215223443417117 Energy: 0.3129341124331704 Energy: 0.3121522344347316 Energy: 0.30696788046196777 Energy: 0.3123107389870679 Energy: 0.3069678804602865 Energy: 0.3123107389870679 Energy: 0.30696788045972606 Energy: 0.3123107389870679 Energy: 0.30689458431524114 Energy: 0.3123195476844879 Energy: 0.30689458431692246 Energy: 0.3123195476850483 Energy: 0.3068945843186037 Energy: 0.3123195476844879 Energy: 0.31294251757306246 Energy: 0.3121876246086606 Energy: 0.31294251757362285 Energy: 0.3121876246086606 Energy: 0.31294251757306246 Energy: 0.3121876246086606 Energy: 0.33391582595562 Energy: 0.3204253832651573 Energy: 0.33391582595562 Energy: 0.3204253832651573 Energy: 0.33391582595562 Energy: 0.3204253832651573 Energy: 0.30878695943622925 Energy: 0.312482153819683 Energy: 0.30878695943622925 Energy: 0.3124821538202434 Energy: 0.3087869594367897 Energy: 0.312482153819683 Energy: 0.3332647390849689 Energy: 0.3121435983196193 Energy: 0.3332647390844085 Energy: 0.3121435983201797 Energy: 0.3332647390844085 Energy: 0.3121435983201797 Energy: 0.3110493360650121 Energy: 0.33271888527282917 Energy: 0.31104933606447716 Energy: 0.33271888527282917 Energy: 0.31104933606447716 Energy: 0.3327188852722687 Energy: 0.3069308968316075 Energy: 0.31293663261908194 Energy: 0.3069308968321679 Energy: 0.31293663261908194 Energy: 0.3069308968316075 Energy: 0.31293663261908194 Energy: 0.31658879068311685 Energy: 0.3287063221038726 Energy: 0.31658879068311685 Energy: 0.328706322104433 Energy: 0.31658879068311685 Energy: 0.3287063221038726 Energy: 0.3076208102609644 Energy: 0.312922017128972 Energy: 0.30762081025984356 Energy: 0.312922017128972 Energy: 0.30762081026040394 Energy: 0.312922017128972 Energy: 0.3096645858902985 Energy: 0.3310774966126761 Energy: 0.3096645858902985 Energy: 0.3310774966126761 Energy: 0.30966458589085893 Energy: 0.3310774966126761 Energy: 0.30769630667757064 Energy: 0.31290587216141874 Energy: 0.30769630667813114 Energy: 0.31290587216141874 Energy: 0.3076963066786915 Energy: 0.31290587216141874 Energy: 0.31644265989418324 Energy: 0.3287369866641772 Energy: 0.316442659892502 Energy: 0.3287369866641772 Energy: 0.31644265989418324 Energy: 0.3287369866641772 Energy: 0.3069115221844187 Energy: 0.3129537144455166 Energy: 0.30691152218329787 Energy: 0.3129537144455166 Energy: 0.3069115221844187 Energy: 0.3129537144455166 Energy: 0.3110523780801199 Energy: 0.3325706837819947 Energy: 0.3110523780801199 Energy: 0.3325706837819947 Energy: 0.31105237808124075 Energy: 0.3325706837819947 Energy: 0.33325657490151633 Energy: 0.3121527973745393 Energy: 0.33325657490095595 Energy: 0.3121527973745393 Energy: 0.33325657490151633 Energy: 0.3121527973739789 minimum gb energy = 0.30689458431524114 eV minimum distance = 2.62635526726008 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 0.3064852395872792 Energy: 0.318308438477139 Energy: 0.3064852395872792 Energy: 0.3183084384776228 Energy: 0.3064852395872792 Energy: 0.3183084384781066 Energy: 0.3158262422024649 Energy: 0.31042788582003467 Energy: 0.3158262422019812 Energy: 0.31042788582003467 Energy: 0.3158262422024649 Energy: 0.31042788582003467 Energy: 0.3231204380271592 Energy: 0.29214495053324785 Energy: 0.32312043802667545 Energy: 0.29214495053324785 Energy: 0.32312043802619167 Energy: 0.29214495053324785 Energy: 0.2995964517975078 Energy: 0.33160954934666254 Energy: 0.2995964517975078 Energy: 0.33160954934666254 Energy: 0.2995964517979916 Energy: 0.33160954934666254 Energy: 0.3073495141125576 Energy: 0.31470780202520626 Energy: 0.30734951411207395 Energy: 0.31470780202569 Energy: 0.30734951411207395 Energy: 0.31470780202520626 Energy: 0.329534963113154 Energy: 0.29931129746515267 Energy: 0.3295349631121865 Energy: 0.29931129746515267 Energy: 0.3295349631126703 Energy: 0.29931129746515267 Energy: 0.29721283794845954 Energy: 0.3171484078924369 Energy: 0.2972128379474921 Energy: 0.3171484078929207 Energy: 0.2972128379474921 Energy: 0.3171484078924369 Energy: 0.30773334417597425 Energy: 0.3283582171092674 Energy: 0.30773334417694176 Energy: 0.32835821710975116 Energy: 0.307733344176458 Energy: 0.3283582171092674 Energy: 0.33912075716140455 Energy: 0.29327648699678877 Energy: 0.33912075716140455 Energy: 0.29327648699678877 Energy: 0.33912075716092077 Energy: 0.29327648699727255 Energy: 0.31054912339377083 Energy: 0.31516459459305163 Energy: 0.31054912339377083 Energy: 0.31516459459353535 Energy: 0.31054912339377083 Energy: 0.31516459459305163 Energy: 0.297649585689027 Energy: 0.3268125617650009 Energy: 0.297649585689027 Energy: 0.32681256176403334 Energy: 0.297649585689027 Energy: 0.3268125617645171 Energy: 0.32157684360746147 Energy: 0.2931439762954666 Energy: 0.32157684360699973 Energy: 0.2931439762954666 Energy: 0.32157684360746147 Energy: 0.2931439762954666 Energy: 0.31098615732773705 Energy: 0.3032519492489648 Energy: 0.31098615732725327 Energy: 0.3032519492489648 Energy: 0.31098615732773705 Energy: 0.3032519492489648 Energy: 0.29648781595877244 Energy: 0.3332347976207243 Energy: 0.29648781595877244 Energy: 0.3332347976207243 Energy: 0.29648781595877244 Energy: 0.3332347976207243 Energy: 0.3118716962281956 Energy: 0.29370009381016043 Energy: 0.3118716962281956 Energy: 0.29370009380967665 Energy: 0.3118716962281956 Energy: 0.29370009381016043 Energy: 0.3304068543828105 Energy: 0.29194408159548685 Energy: 0.3304068543832942 Energy: 0.29194408159500307 Energy: 0.3304068543832942 Energy: 0.29194408159500307 Energy: 0.2987212170015944 Energy: 0.32704321985247997 Energy: 0.2987212170011106 Energy: 0.32704321985247997 Energy: 0.2987212170011106 Energy: 0.32704321985247997 Energy: 0.30974936161441347 Energy: 0.3192564684721423 Energy: 0.30974936161441347 Energy: 0.31925646847262606 Energy: 0.30974936161441347 Energy: 0.3192564684721423 Energy: 0.3197996188040633 Energy: 0.30025890939678596 Energy: 0.3197996188030959 Energy: 0.30025890939678596 Energy: 0.3197996188040633 Energy: 0.3002589093963022 Energy: 0.2988333480194769 Energy: 0.3172434580245537 Energy: 0.2988333480194769 Energy: 0.3172434580245537 Energy: 0.29883334801899314 Energy: 0.3172434580245537 Energy: 0.2956143267686048 Energy: 0.3307782991680613 Energy: 0.295614326768121 Energy: 0.33077829916854506 Energy: 0.295614326768121 Energy: 0.33077829916854506 Energy: 0.3399928761860242 Energy: 0.2934380175849059 Energy: 0.3399928761850567 Energy: 0.2934380175849059 Energy: 0.3399928761855404 Energy: 0.2934380175849059 Energy: 0.3233055189915261 Energy: 0.3064096202891471 Energy: 0.3233055189915261 Energy: 0.30640962028963087 Energy: 0.3233055189920098 Energy: 0.3064096202891471 Energy: 0.3148617924678655 Energy: 0.3214649357626367 Energy: 0.3148617924678655 Energy: 0.3214649357626367 Energy: 0.3148617924678655 Energy: 0.3214649357626367 Energy: 0.32121812927861176 Energy: 0.29343265584230527 Energy: 0.32121812927861176 Energy: 0.29343265584230527 Energy: 0.32121812927861176 Energy: 0.29343265584230527 Energy: 0.30515730098325905 Energy: 0.30344547625136936 Energy: 0.3051573009827753 Energy: 0.30344547625185314 Energy: 0.3051573009837428 Energy: 0.30344547625185314 Energy: 0.2950516794050565 Energy: 0.33341601049053743 Energy: 0.2950516794055402 Energy: 0.33341601049053743 Energy: 0.2950516794055402 Energy: 0.33341601049053743 Energy: 0.31831404882961356 Energy: 0.30641149595214695 Energy: 0.31831404882961356 Energy: 0.30641149595214695 Energy: 0.31831404883009734 Energy: 0.30641149595214695 Energy: 0.31915386405799945 Energy: 0.29958642271389085 Energy: 0.3191538640584832 Energy: 0.29958642271437463 Energy: 0.3191538640584832 Energy: 0.29958642271437463 minimum gb energy = 0.29194408159500307 eV minimum distance = 2.5835006795045 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 0.29482035076046625 Energy: 0.3213047630892561 Energy: 0.29482035075961577 Energy: 0.3213047630892561 Energy: 0.29482035076046625 Energy: 0.3213047630892561 Energy: 0.301047457400384 Energy: 0.2934572841373691 Energy: 0.3010474574008093 Energy: 0.29345728413779426 Energy: 0.301047457400384 Energy: 0.29345728413779426 Energy: 0.3160755714986196 Energy: 0.27870953578553687 Energy: 0.3160755714994701 Energy: 0.27870953578553687 Energy: 0.31607557149904486 Energy: 0.27870953578553687 Energy: 0.2818240898869277 Energy: 0.3078579432344689 Energy: 0.2818240898873529 Energy: 0.33786418105266597 Energy: 0.2818240898869277 Energy: 0.31146042670750795 Energy: 0.291847294398028 Energy: 0.299189495956168 Energy: 0.291847294398028 Energy: 0.2991894959553175 Energy: 0.291847294398028 Energy: 0.29918949595574273 Energy: 0.32666830582909034 Energy: 0.2779858771462261 Energy: 0.32666830582866513 Energy: 0.2779858771462261 Energy: 0.32666830582909034 Energy: 0.2779858771462261 Energy: 0.2938236613676524 Energy: 0.3046621183410348 Energy: 0.29382366136807764 Energy: 0.3046621183406095 Energy: 0.2938236613676524 Energy: 0.3046621183406095 Energy: 0.2816785733531781 Energy: 0.3052045318451518 Energy: 0.28167857335360325 Energy: 0.36335159443514536 Energy: 0.2816785733531781 Energy: 0.2949565926314299 Energy: 0.3249119549390521 Energy: 0.27945809204900085 Energy: 0.3249119549382017 Energy: 0.2794580920494261 Energy: 0.32491195493862696 Energy: 0.2794580920494261 Energy: 0.29198433991646366 Energy: 0.2932893618297513 Energy: 0.29198433991603845 Energy: 0.2932893618297513 Energy: 0.29198433991603845 Energy: 0.2932893618297513 Energy: 0.2808724319407845 Energy: 0.3407752317452158 Energy: 0.2808724319407845 Energy: 0.34077523174564106 Energy: 0.28087243194120975 Energy: 0.3407752317452158 Energy: 0.3013007505616561 Energy: 0.2865277323809661 Energy: 0.30130075056123085 Energy: 0.2865277323809661 Energy: 0.30130075056208133 Energy: 0.2865277323809661 Energy: 0.3116347347694283 Energy: 0.2783827767379147 Energy: 0.3116347347702788 Energy: 0.2783827767379147 Energy: 0.3116347347690031 Energy: 0.2783827767379147 Energy: 0.29627019434180707 Energy: 0.3175474851683803 Energy: 0.2962701943422324 Energy: 0.3175474851705065 Energy: 0.2962701943422324 Energy: 0.317547485171357 Energy: 0.3018777769597047 Energy: 0.29967898191876857 Energy: 0.30187777696012996 Energy: 0.2996789819183433 Energy: 0.30187777696012996 Energy: 0.2996789819183433 Energy: 0.313586137682227 Energy: 0.2777350205172513 Energy: 0.31358613768052596 Energy: 0.2777350205172513 Energy: 0.3135861376818017 Energy: 0.2777350205172513 Energy: 0.28062288936121726 Energy: 0.3196200791174278 Energy: 0.28062288936121726 Energy: 0.3196200791170026 Energy: 0.28062288936164254 Energy: 0.3196200791174278 Energy: 0.2809686655815805 Energy: 0.2999145428837861 Energy: 0.2809686655820058 Energy: 0.2999145428837861 Energy: 0.2809686655815805 Energy: 0.29991454288463654 Energy: 0.32552396136626555 Energy: 0.27955278086508084 Energy: 0.32552396136626555 Energy: 0.27955278086508084 Energy: 0.32552396136711603 Energy: 0.27955278086508084 Energy: 0.2939161666150579 Energy: 0.30540756768460475 Energy: 0.2939161666150579 Energy: 0.30540756768460475 Energy: 0.2939161666154832 Energy: 0.30540756768460475 Energy: 0.2805101311762395 Energy: 0.3416268087113454 Energy: 0.280510131175389 Energy: 0.3416268087113454 Energy: 0.2805101311762395 Energy: 0.3416268087113454 Energy: 0.3123886977072984 Energy: 0.2775303820429701 Energy: 0.31238869770772365 Energy: 0.2775303820429701 Energy: 0.31238869770772365 Energy: 0.2775303820429701 Energy: 0.3074514678505079 Energy: 0.2782613053589081 Energy: 0.3074514678500827 Energy: 0.2782613053589081 Energy: 0.3074514678505079 Energy: 0.2782613053589081 Energy: 0.2819013197680351 Energy: 0.32636221127052734 Energy: 0.2819013197676099 Energy: 0.3263622112701021 Energy: 0.2819013197680351 Energy: 0.3263622112701021 Energy: 0.3023919150655292 Energy: 0.2837718332654324 Energy: 0.3023919150659544 Energy: 0.2837718332654324 Energy: 0.3023919150655292 Energy: 0.2837718332654324 Energy: 0.31144808848761646 Energy: 0.27790493646305603 Energy: 0.311448088486766 Energy: 0.27790493646348124 Energy: 0.311448088486766 Energy: 0.27790493646305603 Energy: 0.299827934753364 Energy: 0.30910213868280517 Energy: 0.29982793475421454 Energy: 0.30910213868280517 Energy: 0.29982793475421454 Energy: 0.3091021386832305 Energy: 0.3059394627472617 Energy: 0.29773095292198465 Energy: 0.30593946274641115 Energy: 0.29773095292198465 Energy: 0.3059394627481122 Energy: 0.29773095292198465 Energy: 0.3264320907362292 Energy: 0.2776158903297883 Energy: 0.3264320907362292 Energy: 0.2776158903297883 Energy: 0.3264320907362292 Energy: 0.277615890329363 Energy: 0.2809979874369289 Energy: 0.3140286149955035 Energy: 0.2809979874373542 Energy: 0.31402861499592877 Energy: 0.2809979874373542 Energy: 0.31402861499592877 Energy: 0.2805841795028248 Energy: 0.3076855804406966 Energy: 0.2805841795023996 Energy: 0.3076855804406966 Energy: 0.2805841795023996 Energy: 0.3076855804406966 Energy: 0.3055364323784052 Energy: 0.2775670641040439 Energy: 0.30553643237670425 Energy: 0.2775670641040439 Energy: 0.3055364323784052 Energy: 0.2775670641040439 Energy: 0.3126892059711293 Energy: 0.27838973031267306 Energy: 0.31268920597155453 Energy: 0.27838973031394876 Energy: 0.31268920597155453 Energy: 0.27838973031309827 minimum gb energy = 0.2775303820429701 eV minimum distance = 2.59671446181546 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.012550488083414304 Energy: 0.29305488030399746 Energy: 0.012550488083414304 Energy: 0.29305488030433113 Energy: 0.012550488083414304 Energy: 0.29305488030433113 Energy: 0.013301273933006535 Energy: 0.13111373167965823 Energy: 0.013301273933006535 Energy: 0.13111373167826457 Energy: 0.013301273933006535 Energy: 0.13111373167826457 Energy: 0.5190120944668541 Energy: 0.13003904623875104 Energy: 0.7380464600129824 Energy: 0.13003904623943807 Energy: 0.7796296984904435 Energy: 0.1300390462373574 Energy: 0.013301273932672842 Energy: 0.13111373167897122 Energy: 0.013301273933006535 Energy: 0.13111373167861787 Energy: 0.013301273932672842 Energy: 0.13111373167826457 minimum gb energy = 0.012550488083414304 eV minimum distance = 2.84077019433716 Angstroms sigma value = 1