model_name=EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Al__MO_060567868558_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=4.050199627876282 cohesive_energy=3.5802838199389533 mass=26.981538 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.011099545862353784 Energy: 0.011328772842479122 Energy: 0.011328772843950367 Energy: 0.011358985509213167 Energy: 0.16970918408338784 Energy: 0.16970918408877314 Energy: 0.011316093920256096 Energy: 0.1697091840819166 Energy: 0.16970918408338784 Energy: 0.011320335752362366 Energy: 0.011392226971411418 Energy: 0.011392226971911085 Energy: 0.011350733086035913 Energy: 0.011356120433514314 Energy: 0.011356120433514314 Energy: 0.3512671875748702 Energy: 0.011339188859356088 Energy: 0.011339188859356088 Energy: 0.011350733086507822 Energy: 0.011356120433014646 Energy: 0.011356120433514314 Energy: 0.01132033575139079 Energy: 0.011392226971911085 Energy: 0.011392226971911085 Energy: 0.011316093920256096 Energy: 0.1697091840814447 Energy: 0.1697091840838875 Energy: 0.011358985509213167 Energy: 0.16970918408241625 Energy: 0.16970918409365876 minimum gb energy = 0.011099545862353784 eV minimum distance = 2.79908205438855 Angstroms sigma value = 1 ======================================== theta = 7.628149668580709 ======================================== Energy: 0.326736931855438 Energy: 0.24263114105431485 Energy: 0.2426311410530149 Energy: 0.25955926916314254 Energy: 0.24264614673864332 Energy: 0.24264614673766835 Energy: 0.25216055036107377 Energy: 0.24453788463300827 Energy: 0.24453788463268328 Energy: 0.25387561574159284 Energy: 0.23760122516040305 Energy: 0.23760122516524837 Energy: 0.2574345518866569 Energy: 0.24263623192559694 Energy: 0.24263623192364703 Energy: 0.2571114285413063 Energy: 0.24662405586933203 Energy: 0.24662405586445724 Energy: 0.25504365858001277 Energy: 0.24262724875434932 Energy: 0.2426272487553243 Energy: 0.2607621674745533 Energy: 0.25107355103601414 Energy: 0.25107355103893897 Energy: 0.2574534744531776 Energy: 0.2393947654801582 Energy: 0.2393947654749584 Energy: 0.26075745849974313 Energy: 0.26528484508367034 Energy: 0.26528484507847055 minimum gb energy = 0.23760122516040305 eV minimum distance = 2.57702164435535 Angstroms sigma value = 113 ======================================== theta = 8.171233559949753 ======================================== Energy: 0.3293327921562633 Energy: 0.25006693573802075 Energy: 0.25006693574115346 Energy: 0.26672882960202055 Energy: 0.25259058809687623 Energy: 0.25259058809583196 Energy: 0.2663173597535627 Energy: 0.2500891352340643 Energy: 0.2500891352326719 Energy: 0.2721259261039961 Energy: 0.2525919009004639 Energy: 0.2525919008990716 Energy: 0.26237215220742177 Energy: 0.25009688505387684 Energy: 0.2500968850531806 Energy: 0.31466936228849135 Energy: 0.2525884185105698 Energy: 0.2525884185105698 Energy: 0.26333997020198924 Energy: 0.25010220978850894 Energy: 0.25010220978850894 Energy: 0.26091928195908015 Energy: 0.25259384842494226 Energy: 0.2525938484256385 Energy: 0.2587964950427702 Energy: 0.250092318950454 Energy: 0.250092318950454 Energy: 0.2605650347114838 Energy: 0.2565821390193604 Energy: 0.2565821390193604 minimum gb energy = 0.25006693573802075 eV minimum distance = 2.6324872583864 Angstroms sigma value = 197 ======================================== theta = 8.797410709991064 ======================================== Energy: 0.33110628385312213 Energy: 0.2552079857115612 Energy: 0.2552079857138095 Energy: 0.2661448574043655 Energy: 0.25523374969242024 Energy: 0.255233749695418 Energy: 0.2656637483337843 Energy: 0.26460635425105533 Energy: 0.2646063542544277 Energy: 0.26528676810575896 Energy: 0.2982710273064258 Energy: 0.29827102730717525 Energy: 0.26775252421941503 Energy: 0.2602396073555031 Energy: 0.26023960733230506 Energy: 0.2693131381393298 Energy: 0.2590255238622585 Energy: 0.25902552386150907 Energy: 0.2667381952201553 Energy: 0.26022162457865 Energy: 0.26022162457452813 Energy: 0.2677580166654695 Energy: 0.2867797839311002 Energy: 0.28677978392810255 Energy: 0.2756271986473438 Energy: 0.2812821345492065 Energy: 0.2812821345488318 Energy: 0.26723339360463133 Energy: 0.2589889607538736 Energy: 0.2589889607531242 minimum gb energy = 0.2552079857115612 eV minimum distance = 2.63378349811244 Angstroms sigma value = 169 ======================================== theta = 9.527283381452357 ======================================== Energy: 0.3342512015796955 Energy: 0.2637113320003326 Energy: 0.26371133199992686 Energy: 0.2720853010858419 Energy: 0.2793802757286272 Energy: 0.27938027572943863 Energy: 0.28171756597937725 Energy: 0.2633960637677135 Energy: 0.26339606376690206 Energy: 0.2717627492988964 Energy: 0.2637396810687964 Energy: 0.2637396810675792 Energy: 0.27645198324774817 Energy: 0.2816830326149072 Energy: 0.2816830326153129 Energy: 0.3172276085165822 Energy: 0.2679234109943857 Energy: 0.2679234109943857 Energy: 0.27645441519427416 Energy: 0.2667234878863599 Energy: 0.2667234878887943 Energy: 0.2760620045904358 Energy: 0.26374372195034035 Energy: 0.26374372195034035 Energy: 0.2806076539711994 Energy: 0.2590942912775129 Energy: 0.25909429127832434 Energy: 0.2740255099142621 Energy: 0.2667160505601125 Energy: 0.26671605055970676 minimum gb energy = 0.2590942912775129 eV minimum distance = 2.6239977966934 Angstroms sigma value = 145 ======================================== theta = 10.388857815469612 ======================================== Energy: 0.3463712441483585 Energy: 0.2777461775545578 Energy: 0.27774617755234626 Energy: 0.28483019464288345 Energy: 0.2726115594976333 Energy: 0.27261155949984495 Energy: 0.28523804817905024 Energy: 0.2714848599120287 Energy: 0.27148485991116417 Energy: 0.28165057395998755 Energy: 0.2777880667900598 Energy: 0.2777880667905021 Energy: 0.28020431130340395 Energy: 0.2769172690638574 Energy: 0.27691726906562664 Energy: 0.2864241450800774 Energy: 0.27691895900995483 Energy: 0.27691895901216645 Energy: 0.2802031886537372 Energy: 0.28416274845123546 Energy: 0.28416274845123546 Energy: 0.2843953272152137 Energy: 0.28345625070877983 Energy: 0.28345625070966446 Energy: 0.2824562511158475 Energy: 0.2723043697645417 Energy: 0.2723043697654263 Energy: 0.2829608036602437 Energy: 0.27542089950547893 Energy: 0.2754208995037096 minimum gb energy = 0.27148485991116417 eV minimum distance = 2.61763265042906 Angstroms sigma value = 61 ======================================== theta = 11.421186274999284 ======================================== Energy: 0.32889716727254736 Energy: 0.28107062797897153 Energy: 0.28107062797945764 Energy: 0.2848683308288788 Energy: 0.2811552494741587 Energy: 0.28115524947513093 Energy: 0.29048475664577134 Energy: 0.28408808690640563 Energy: 0.28408808690640563 Energy: 0.2866950332847925 Energy: 0.27771580322906153 Energy: 0.27771580322954764 Energy: 0.28862839495269255 Energy: 0.2889767790898104 Energy: 0.2889767790907827 Energy: 0.3197368444403848 Energy: 0.29001974922574747 Energy: 0.2900197492252613 Energy: 0.2921888170759299 Energy: 0.2900753988529477 Energy: 0.2900753988529477 Energy: 0.2926295632449073 Energy: 0.2889176362461635 Energy: 0.2889176362461635 Energy: 0.2904931693292564 Energy: 0.32115639880916186 Energy: 0.3211563988101341 Energy: 0.28862752659988633 Energy: 0.2811596878149084 Energy: 0.28115968781393613 minimum gb energy = 0.27771580322906153 eV minimum distance = 2.60639085542334 Angstroms sigma value = 101 ======================================== theta = 12.68038349181982 ======================================== Energy: 0.3490017398727433 Energy: 0.30077484297252105 Energy: 0.3007748429719816 Energy: 0.31599528376138797 Energy: 0.30079837326755376 Energy: 0.3007983732734885 Energy: 0.3037716580923315 Energy: 0.30078055631080775 Energy: 0.30078055631350537 Energy: 0.312673390581306 Energy: 0.30078463568607644 Energy: 0.30078463568122066 Energy: 0.31734802213163177 Energy: 0.30088307917496987 Energy: 0.30088307918144414 Energy: 0.30839029040430066 Energy: 0.30081807322719517 Energy: 0.30081807322449744 Energy: 0.3303589522569117 Energy: 0.30088290248664795 Energy: 0.30088290249258276 Energy: 0.3036960869891389 Energy: 0.30100654338045674 Energy: 0.30100654337506144 Energy: 0.3130618351501691 Energy: 0.30089106824791667 Energy: 0.30089106824521905 Energy: 0.30859660369031794 Energy: 0.30083800348319983 Energy: 0.3008380034896741 minimum gb energy = 0.3007748429719816 eV minimum distance = 2.60108358822482 Angstroms sigma value = 81 ======================================== theta = 14.250032697803595 ======================================== Energy: 0.33735565283676633 Energy: 0.3136392439647217 Energy: 0.3136392439641157 Energy: 0.31430803280912917 Energy: 0.316489876099437 Energy: 0.31648987609822504 Energy: 0.3143125433840183 Energy: 0.3172626226364349 Energy: 0.3172626226352229 Energy: 0.3150972739081872 Energy: 0.3136791620106964 Energy: 0.31367916200948437 Energy: 0.3150779469544169 Energy: 0.3188039264048538 Energy: 0.3188039264042477 Energy: 0.33039229626813726 Energy: 0.3187956038928698 Energy: 0.3187956038922638 Energy: 0.3150787693444441 Energy: 0.31989560988007115 Energy: 0.31989560988007115 Energy: 0.3150867981550083 Energy: 0.3172446727151681 Energy: 0.3172446727133501 Energy: 0.314342140830122 Energy: 0.31645813437069176 Energy: 0.31645813437069176 Energy: 0.3211652597743654 Energy: 0.3141398655581699 Energy: 0.3141398655575639 minimum gb energy = 0.3136392439641157 eV minimum distance = 2.57829433864879 Angstroms sigma value = 1 ======================================== theta = 15.18928673718289 ======================================== Energy: 0.3658663686263545 Energy: 0.32369483764787993 Energy: 0.3236948376482028 Energy: 0.32003336234146124 Energy: 0.3201448103890652 Energy: 0.32014481039003384 Energy: 0.3215368440095637 Energy: 0.3269254827437564 Energy: 0.3269254827434335 Energy: 0.326861990347698 Energy: 0.3236324730613734 Energy: 0.3236324730607277 Energy: 0.32967727169062516 Energy: 0.32687294181941684 Energy: 0.3268729418200626 Energy: 0.3354750264578897 Energy: 0.325728830957121 Energy: 0.3257288309580896 Energy: 0.3359073660151038 Energy: 0.3236171698482333 Energy: 0.3236171698482333 Energy: 0.32963394543101693 Energy: 0.3279910054078509 Energy: 0.327991005407528 Energy: 0.3216568993016249 Energy: 0.3274732462267952 Energy: 0.3274732462267952 Energy: 0.32467652561271226 Energy: 0.3243765261043289 Energy: 0.32437652610368317 minimum gb energy = 0.32003336234146124 eV minimum distance = 2.57773647442587 Angstroms sigma value = 229 ======================================== theta = 16.26020470831196 ======================================== Energy: 0.3509198073827254 Energy: 0.3253810801061568 Energy: 0.3253810800964837 Energy: 0.32501918844922467 Energy: 0.33620175320967166 Energy: 0.3362017532131264 Energy: 0.3363904980883215 Energy: 0.32515979873761536 Energy: 0.32515979873761536 Energy: 0.32271162184610624 Energy: 0.3251747085968017 Energy: 0.3251747085968017 Energy: 0.3241930036623714 Energy: 0.3333121684941354 Energy: 0.33331216849137163 Energy: 0.3244370808958929 Energy: 0.3251262064598329 Energy: 0.32512620645845103 Energy: 0.32513836670981366 Energy: 0.32919884169298635 Energy: 0.32919884169025404 Energy: 0.32459370245734914 Energy: 0.32544123711934037 Energy: 0.3254412371186494 Energy: 0.33640253552897037 Energy: 0.3282275260276842 Energy: 0.3282275260256114 Energy: 0.32499939906418723 Energy: 0.32516636886270656 Energy: 0.32516636886270656 minimum gb energy = 0.32271162184610624 eV minimum distance = 2.57844869662009 Angstroms sigma value = 25 ======================================== theta = 17.49232452511042 ======================================== Energy: 0.3692373993762603 Energy: 0.338094706231537 Energy: 0.3380947062333942 Energy: 0.3267716677697911 Energy: 0.34108961047791186 Energy: 0.341089610477169 Energy: 0.3328231219279918 Energy: 0.3394074051215634 Energy: 0.3394074051215634 Energy: 0.3237656265748761 Energy: 0.34187198419731674 Energy: 0.34187198419694526 Energy: 0.33093721107715585 Energy: 0.33808755026524023 Energy: 0.3380875502644974 Energy: 0.34557939885296973 Energy: 0.34109444515398263 Energy: 0.3410944451528683 Energy: 0.33513436211805614 Energy: 0.33718573101667515 Energy: 0.3371857310170466 Energy: 0.33006540045033883 Energy: 0.3394667961300367 Energy: 0.33946679612929376 Energy: 0.33111604237666065 Energy: 0.33869763628024535 Energy: 0.33869763628024535 Energy: 0.32786286336676657 Energy: 0.3412977586009343 Energy: 0.3412977586013058 minimum gb energy = 0.3237656265748761 eV minimum distance = 2.54317073788783 Angstroms sigma value = 173 ======================================== theta = 18.924644416051233 ======================================== Energy: 0.33982131169530333 Energy: 0.340959251844778 Energy: 0.340959251844778 Energy: 0.33183622876621377 Energy: 0.331878884815662 Energy: 0.3318788848148588 Energy: 0.36931964996460687 Energy: 0.34629593818522275 Energy: 0.346295938186026 Energy: 0.3714675369103998 Energy: 0.3404591715983758 Energy: 0.3404591715983758 Energy: 0.33177455202824563 Energy: 0.34313286793006914 Energy: 0.343132867929266 Energy: 0.3296806369993068 Energy: 0.33088584938989973 Energy: 0.33088584938989973 Energy: 0.3353902798817208 Energy: 0.3409655645214451 Energy: 0.3409655645222482 Energy: 0.32991454762241573 Energy: 0.3398577228350946 Energy: 0.339857722836701 Energy: 0.37144172328124664 Energy: 0.3294124339703595 Energy: 0.32941243397196596 Energy: 0.3317621647362788 Energy: 0.33986116359301655 Energy: 0.33986116359221336 minimum gb energy = 0.3294124339703595 eV minimum distance = 2.48834314858438 Angstroms sigma value = 9 ======================================== theta = 20.609692937532067 ======================================== Energy: 0.3720335584017625 Energy: 0.35592012628476793 Energy: 0.3559201262856419 Energy: 0.3398629093200641 Energy: 0.3578458431132159 Energy: 0.35784584311365286 Energy: 0.3474771573148924 Energy: 0.3424948029994409 Energy: 0.3424948030003149 Energy: 0.3625484392293778 Energy: 0.3604665587802051 Energy: 0.3604665587802051 Energy: 0.34291999617487656 Energy: 0.3414876810077856 Energy: 0.3414876810082225 Energy: 0.3577503740471541 Energy: 0.34195825707586475 Energy: 0.3419582570763018 Energy: 0.3422325304475109 Energy: 0.33678800608255016 Energy: 0.33678800608167625 Energy: 0.37413037600361665 Energy: 0.34054025938038057 Energy: 0.3405402593808176 Energy: 0.34113043950579636 Energy: 0.3438088903553946 Energy: 0.3438088903545206 Energy: 0.3661540829264986 Energy: 0.3420032277563825 Energy: 0.34200322775681946 minimum gb energy = 0.33678800608167625 eV minimum distance = 2.48257698688972 Angstroms sigma value = 31 ======================================== theta = 22.619864948040426 ======================================== Energy: 0.34782731168930636 Energy: 0.3482087370971054 Energy: 0.3482087370971054 Energy: 0.3231493657345138 Energy: 0.35228644051516755 Energy: 0.35228644051516755 Energy: 0.3868630599017855 Energy: 0.35766761468905656 Energy: 0.35766761468809843 Energy: 0.34181007963770776 Energy: 0.33039994161934644 Energy: 0.33039994161934644 Energy: 0.3418974133863689 Energy: 0.3576746929627648 Energy: 0.3576746929627648 Energy: 0.3317801062359944 Energy: 0.3523750669617173 Energy: 0.35237506696075915 Energy: 0.3231500650113012 Energy: 0.35234465473214993 Energy: 0.35234465473025545 Energy: 0.3231483325777946 Energy: 0.3353139422346092 Energy: 0.3353139422346092 Energy: 0.34165795648015784 Energy: 0.36169391420136393 Energy: 0.36169391427413994 Energy: 0.34176983217258744 Energy: 0.3617139886000783 Energy: 0.36171398860103654 minimum gb energy = 0.3231483325777946 eV minimum distance = 2.55284181086616 Angstroms sigma value = 25 ======================================== theta = 24.189514154024202 ======================================== Energy: 0.3770645029601519 Energy: 0.3743466022594151 Energy: 0.3743466022560028 Energy: 0.35218274803083666 Energy: 0.34374087037274753 Energy: 0.34374087037172385 Energy: 0.35217425663630353 Energy: 0.34201650385000537 Energy: 0.34201650385000537 Energy: 0.3514324717794741 Energy: 0.3743516540394988 Energy: 0.3743516540377927 Energy: 0.3522034565755905 Energy: 0.3424326635447562 Energy: 0.34243266354509744 Energy: 0.35219417272337245 Energy: 0.3507008773008065 Energy: 0.3507008773008065 Energy: 0.3390492523449654 Energy: 0.37436117466278623 Energy: 0.374361174659374 Energy: 0.3559671934516469 Energy: 0.3691156086424705 Energy: 0.3691156086431529 Energy: 0.3521701569123414 Energy: 0.3471474015850204 Energy: 0.3471474015853616 Energy: 0.33285009774211466 Energy: 0.37437101312889287 Energy: 0.3743710131295753 minimum gb energy = 0.33285009774211466 eV minimum distance = 2.49380518480657 Angstroms sigma value = 205 ======================================== theta = 25.057615418303023 ======================================== Energy: 0.3841408072584101 Energy: 0.3826094085315356 Energy: 0.3826094085315356 Energy: 0.36307024383002384 Energy: 0.3814412805791118 Energy: 0.3814412805801717 Energy: 0.33644530469616846 Energy: 0.37582464356947587 Energy: 0.3758246435795444 Energy: 0.34767054194523955 Energy: 0.34578772627847487 Energy: 0.34578772627794496 Energy: 0.3418964855586192 Energy: 0.369354851447228 Energy: 0.3693548514498776 Energy: 0.40158231727346994 Energy: 0.347704702833177 Energy: 0.34770470283052746 Energy: 0.3512131155156359 Energy: 0.3503219033797832 Energy: 0.3503219033792533 Energy: 0.3369901311223548 Energy: 0.35028018365693137 Energy: 0.3502801836574613 Energy: 0.369968348271739 Energy: 0.3477027846764116 Energy: 0.3477027847023777 Energy: 0.3370525957895331 Energy: 0.34757905793220917 Energy: 0.3475790579348587 minimum gb energy = 0.33644530469616846 eV minimum distance = 2.47489644599828 Angstroms sigma value = 85 ======================================== theta = 25.98923358383301 ======================================== Energy: 0.3782599957353547 Energy: 0.3590534129150664 Energy: 0.35905341291579873 Energy: 0.33700463081913407 Energy: 0.35905021778044327 Energy: 0.359050217787401 Energy: 0.33700152104890985 Energy: 0.3578674264137147 Energy: 0.3578674264214048 Energy: 0.33700205267634653 Energy: 0.3390769348929865 Energy: 0.33907693489738083 Energy: 0.33217544889219386 Energy: 0.3776074907549038 Energy: 0.37760749074574884 Energy: 0.3624763044299526 Energy: 0.3457479455510117 Energy: 0.3457479455532088 Energy: 0.372612689716925 Energy: 0.34725775441917345 Energy: 0.3472577544199058 Energy: 0.357169964053722 Energy: 0.3833876141406294 Energy: 0.383387614139897 Energy: 0.3572617718323852 Energy: 0.3575176578244397 Energy: 0.3575176578241068 Energy: 0.32977978494968335 Energy: 0.35746952013257915 Energy: 0.3574695201241566 minimum gb energy = 0.32977978494968335 eV minimum distance = 2.45890507352526 Angstroms sigma value = 89 ======================================== theta = 28.072486935852957 ======================================== Energy: 0.32668214846288857 Energy: 0.377289275180648 Energy: 0.377289275180648 Energy: 0.39917117584481177 Energy: 0.31503142039458426 Energy: 0.31503142039458426 Energy: 0.38358300464677225 Energy: 0.37715582185314156 Energy: 0.37715582185314156 Energy: 0.31499642955001866 Energy: 0.31880082495052975 Energy: 0.31880082495052975 Energy: 0.32038040294613807 Energy: 0.37599027136647184 Energy: 0.37599027136647184 Energy: 0.31503423727754887 Energy: 0.3906215082347396 Energy: 0.3906215082252601 Energy: 0.3836332959985262 Energy: 0.3760046758729983 Energy: 0.37600467587181335 Energy: 0.3151053899672342 Energy: 0.33166133957785676 Energy: 0.33166133956958915 Energy: 0.3150744985034846 Energy: 0.377158202313406 Energy: 0.377158202313406 Energy: 0.3188010501054878 Energy: 0.3150282790363332 Energy: 0.3150282790363332 minimum gb energy = 0.31499642955001866 eV minimum distance = 2.60699555875543 Angstroms sigma value = 17 ======================================== theta = 29.86283435627511 ======================================== Energy: 0.3763996538485949 Energy: 0.3504503349782409 Energy: 0.3504503349747791 Energy: 0.33369259137554635 Energy: 0.38097765237948256 Energy: 0.38097765237727954 Energy: 0.34750860322620536 Energy: 0.3679697397747678 Energy: 0.36796973976941777 Energy: 0.34733479969022785 Energy: 0.3585344533852826 Energy: 0.3585344533874855 Energy: 0.35106914230062614 Energy: 0.3831246846656641 Energy: 0.38312468466094346 Energy: 0.3697905878853825 Energy: 0.3761840109328077 Energy: 0.37618401093469594 Energy: 0.3435261051636426 Energy: 0.35697265519711835 Energy: 0.35697265519208293 Energy: 0.32895797528007864 Energy: 0.3369840265293362 Energy: 0.33698402653059506 Energy: 0.348256576820085 Energy: 0.37382158496854334 Energy: 0.3738215849653962 Energy: 0.3521427196007549 Energy: 0.35852969053547734 Energy: 0.358529690537995 minimum gb energy = 0.32895797528007864 eV minimum distance = 2.49262268156575 Angstroms sigma value = 241 ======================================== theta = 30.510237406115554 ======================================== Energy: 0.38135629747805705 Energy: 0.3434544569253287 Energy: 0.3434544569266142 Energy: 0.3473343194655155 Energy: 0.3766309753635903 Energy: 0.3766309753631618 Energy: 0.3512956678361766 Energy: 0.3763735544400878 Energy: 0.3763735544375168 Energy: 0.3472998643067736 Energy: 0.34345309055157436 Energy: 0.3434530905511459 Energy: 0.3307110424942316 Energy: 0.3434575295918194 Energy: 0.34345752959053394 Energy: 0.35553254942536017 Energy: 0.3644268205769709 Energy: 0.3644268205756854 Energy: 0.35422591792010066 Energy: 0.376684144971849 Energy: 0.3766841449748485 Energy: 0.34732431735511093 Energy: 0.34345745871873723 Energy: 0.3434574587221652 Energy: 0.33066101610035425 Energy: 0.36442717491238685 Energy: 0.36442717491281534 Energy: 0.4003599605297525 Energy: 0.3353123452789128 Energy: 0.33531234527677023 minimum gb energy = 0.33066101610035425 eV minimum distance = 2.46783635998527 Angstroms sigma value = 65 ======================================== theta = 31.890791801845708 ======================================== Energy: 0.37033644867574667 Energy: 0.33837155494410104 Energy: 0.33837155494611426 Energy: 0.3250653308740102 Energy: 0.3512669283808875 Energy: 0.3512669283815586 Energy: 0.3250214000140307 Energy: 0.3661728119919569 Energy: 0.366172811992628 Energy: 0.362893157484361 Energy: 0.3250485087136086 Energy: 0.3250485087149508 Energy: 0.4109046688736497 Energy: 0.3289507636472308 Energy: 0.32895076366602144 Energy: 0.4268503041249017 Energy: 0.37271919396602754 Energy: 0.3727191939653564 Energy: 0.3250880435899585 Energy: 0.36608897739492513 Energy: 0.36608897739425406 Energy: 0.3546084432136175 Energy: 0.32503901889436687 Energy: 0.32503901889302467 Energy: 0.3682470272611431 Energy: 0.3383745006169658 Energy: 0.33837450061629465 Energy: 0.3250191429314715 Energy: 0.3771241230243376 Energy: 0.3771241229820586 minimum gb energy = 0.3250191429314715 eV minimum distance = 2.55846126530678 Angstroms sigma value = 53 ======================================== theta = 33.39848846798724 ======================================== Energy: 0.3570732876706642 Energy: 0.3518527421218735 Energy: 0.3518527421218735 Energy: 0.3895620665209503 Energy: 0.3569196089529958 Energy: 0.3569196089529958 Energy: 0.3541265137238412 Energy: 0.36196864998071915 Energy: 0.36196864997978323 Energy: 0.31910098490015465 Energy: 0.3919769432287356 Energy: 0.39197694322826765 Energy: 0.40058326644226705 Energy: 0.3852137604526626 Energy: 0.3852137604517267 Energy: 0.3191027584894887 Energy: 0.38059240915962417 Energy: 0.3805924091600922 Energy: 0.3541474339295276 Energy: 0.3506377373324645 Energy: 0.3506377373324645 Energy: 0.37147182387216154 Energy: 0.3569595803261252 Energy: 0.3569595803242534 Energy: 0.35701712191499546 Energy: 0.35180962085999345 Energy: 0.3518096208604614 Energy: 0.3955013156870996 Energy: 0.36409295079769743 Energy: 0.36409295079722953 minimum gb energy = 0.31910098490015465 eV minimum distance = 2.51038786982348 Angstroms sigma value = 109 ======================================== theta = 34.20545793810475 ======================================== Energy: 0.38352758978572976 Energy: 0.3837118462743725 Energy: 0.38371184618855647 Energy: 0.34882934730261744 Energy: 0.37379379892098585 Energy: 0.37379379891954906 Energy: 0.34241570684134287 Energy: 0.36854141823865644 Energy: 0.368541418237938 Energy: 0.34658393325206543 Energy: 0.3808438248248024 Energy: 0.3808438248237248 Energy: 0.4297980769493562 Energy: 0.3856197832981154 Energy: 0.3856197832999114 Energy: 0.34658161585054176 Energy: 0.38084492619840565 Energy: 0.38084492619840565 Energy: 0.34241589219776686 Energy: 0.3685416275987023 Energy: 0.3685416275987023 Energy: 0.3489154069678712 Energy: 0.37379320270920335 Energy: 0.3737932027099217 Energy: 0.3835201465841655 Energy: 0.38373443635924104 Energy: 0.3837344363596002 Energy: 0.3489239484168947 Energy: 0.3737937328163685 Energy: 0.37379373281672773 minimum gb energy = 0.34241570684134287 eV minimum distance = 2.48560474450941 Angstroms sigma value = 185 ======================================== theta = 36.86989764584402 ======================================== Energy: 0.295576376950369 Energy: 0.29559857827108293 Energy: 0.29559857827571784 Energy: 0.3694777516113482 Energy: 0.3143249620397074 Energy: 0.3143249620397074 Energy: 0.3045242633412849 Energy: 0.324551899798223 Energy: 0.32454799980404353 Energy: 0.3717327523322287 Energy: 0.31433012321418197 Energy: 0.31433012321572695 Energy: 0.29567338748928224 Energy: 0.29559870967923846 Energy: 0.29559870967923846 Energy: 0.38298169462435744 Energy: 0.3143111577925865 Energy: 0.3143111578960647 Energy: 0.30464443643561295 Energy: 0.3245236731917147 Energy: 0.32452633256158986 Energy: 0.37171258915582434 Energy: 0.32742382332709963 Energy: 0.32742382332555464 Energy: 0.29561483493333995 Energy: 0.29559600117471546 Energy: 0.29559600116544565 Energy: 0.38298669018160575 Energy: 0.3274263568698991 Energy: 0.3274263568698991 minimum gb energy = 0.295576376950369 eV minimum distance = 2.574540269693 Angstroms sigma value = 9 ======================================== theta = 39.30764811610662 ======================================== Energy: 0.379558525260404 Energy: 0.36295948603316636 Energy: 0.36295948604102396 Energy: 0.437595762825634 Energy: 0.3674598953282988 Energy: 0.3674598953279702 Energy: 0.3528096391815067 Energy: 0.37625846744660957 Energy: 0.3762584674449664 Energy: 0.36001878661977077 Energy: 0.378021837798244 Energy: 0.37802183779955856 Energy: 0.35842016325310794 Energy: 0.37930347815128246 Energy: 0.3793034781486533 Energy: 0.35173682873843426 Energy: 0.3695836237464791 Energy: 0.36958362374910825 Energy: 0.45106720314254467 Energy: 0.38342911517839784 Energy: 0.38342911517675465 Energy: 0.3761185256272811 Energy: 0.3894943440624801 Energy: 0.38949434406346606 Energy: 0.44203269512948173 Energy: 0.36640697802761935 Energy: 0.36640697802926253 Energy: 0.3583937552055589 Energy: 0.3702470708099394 Energy: 0.37024707081191127 minimum gb energy = 0.35173682873843426 eV minimum distance = 2.47721089070624 Angstroms sigma value = 221 ======================================== theta = 39.96621304379996 ======================================== Energy: 0.3773351182610728 Energy: 0.3902308222173211 Energy: 0.3902308222169037 Energy: 0.33337346974494375 Energy: 0.35999223055480717 Energy: 0.35999223055522456 Energy: 0.3392592695018778 Energy: 0.3597945915250288 Energy: 0.3597945915246114 Energy: 0.33214414590229097 Energy: 0.3555667525206955 Energy: 0.3555667525202781 Energy: 0.3674962792549683 Energy: 0.38066482449217287 Energy: 0.38066482449300776 Energy: 0.4220782805661428 Energy: 0.3775246939907763 Energy: 0.3775246939903589 Energy: 0.4763889416640226 Energy: 0.32998873556301545 Energy: 0.3299887355638502 Energy: 0.4151100767960502 Energy: 0.3300752331103368 Energy: 0.3300752331099195 Energy: 0.4166057514567807 Energy: 0.3597925331306869 Energy: 0.3597925331306869 Energy: 0.39469365097418363 Energy: 0.36424849126225406 Energy: 0.3642484912618366 minimum gb energy = 0.32998873556301545 eV minimum distance = 2.53339202097856 Angstroms sigma value = 137 ======================================== theta = 41.112090439166934 ======================================== Energy: 0.34635211348546924 Energy: 0.40510637731751814 Energy: 0.40510637731751814 Energy: 0.45734711441991366 Energy: 0.3454124873351216 Energy: 0.3454124873351216 Energy: 0.3966491708656808 Energy: 0.3789878976013175 Energy: 0.3789878976013175 Energy: 0.34537095253626865 Energy: 0.37495600130915796 Energy: 0.37495600130801426 Energy: 0.3964836895859682 Energy: 0.40347796038217615 Energy: 0.40347796038046063 Energy: 0.3453627754324899 Energy: 0.36623026055433616 Energy: 0.3662302605560516 Energy: 0.4641355240147844 Energy: 0.4141561498576443 Energy: 0.41415614985821614 Energy: 0.3492384324503192 Energy: 0.3721524048226187 Energy: 0.3721524048243341 Energy: 0.40621617445559355 Energy: 0.3627194893991436 Energy: 0.36271948939971543 Energy: 0.3492448931720135 Energy: 0.3627140209340143 Energy: 0.3627140209351579 minimum gb energy = 0.3453627754324899 eV minimum distance = 2.52316219032939 Angstroms sigma value = 73 ======================================== theta = 42.075022050843636 ======================================== Energy: 0.3847287883450945 Energy: 0.38881147025707513 Energy: 0.38881147025812746 Energy: 0.3693993295132421 Energy: 0.3711509468336931 Energy: 0.3711509468389546 Energy: 0.3700270482716479 Energy: 0.36434799281383623 Energy: 0.3643479928131347 Energy: 0.34382046742453454 Energy: 0.37076887037796474 Energy: 0.37076887053890367 Energy: 0.389481932338314 Energy: 0.3688938463219347 Energy: 0.36889384631983013 Energy: 0.3534688150967522 Energy: 0.34363697184494335 Energy: 0.34363697184880176 Energy: 0.3428497905648866 Energy: 0.382269571967002 Energy: 0.38226957196840505 Energy: 0.36269318907134035 Energy: 0.3698931016226497 Energy: 0.3698931016230005 Energy: 0.36865730868630253 Energy: 0.3436665902531793 Energy: 0.34366659025528395 Energy: 0.3428416897724102 Energy: 0.37944574896202077 Energy: 0.3794457489539531 minimum gb energy = 0.3428416897724102 eV minimum distance = 2.515062080422 Angstroms sigma value = 97 ======================================== theta = 43.60281897270362 ======================================== Energy: 0.3712241455248077 Energy: 0.38825022989393376 Energy: 0.3882502298957482 Energy: 0.34744003299283377 Energy: 0.35174939332857347 Energy: 0.3517493933294807 Energy: 0.3575030765843523 Energy: 0.3815068062237732 Energy: 0.3815068062237732 Energy: 0.34747086997502763 Energy: 0.34751240027455554 Energy: 0.34751240027364827 Energy: 0.45272929130703216 Energy: 0.3412149815153205 Energy: 0.3412149815153205 Energy: 0.4000106140034816 Energy: 0.38331104162275914 Energy: 0.3833110416209446 Energy: 0.3859156884348915 Energy: 0.3439209002305372 Energy: 0.3439209002305372 Energy: 0.3779904165757872 Energy: 0.3412340674567694 Energy: 0.3412340674567694 Energy: 0.3789852601540572 Energy: 0.37698284197667564 Energy: 0.3769828419930059 Energy: 0.34829635980438806 Energy: 0.3711956165431173 Energy: 0.3711956165431173 minimum gb energy = 0.3412149815153205 eV minimum distance = 2.52379919888073 Angstroms sigma value = 7 ======================================== theta = 45.23972989608085 ======================================== Energy: 0.35873455683052263 Energy: 0.3667476687414411 Energy: 0.36674766874332015 Energy: 0.3492072409993271 Energy: 0.3945002234903488 Energy: 0.39450022348959723 Energy: 0.4246466012507856 Energy: 0.3514395867311789 Energy: 0.3514395867300515 Energy: 0.3657212156043838 Energy: 0.3789946375240591 Energy: 0.3789946375236833 Energy: 0.3562326703938011 Energy: 0.37099207126313954 Energy: 0.3709920712635153 Energy: 0.3514399529538075 Energy: 0.39441202220593546 Energy: 0.394412022200674 Energy: 0.36872056720582647 Energy: 0.3555042694310105 Energy: 0.3555042694310105 Energy: 0.46633816602030875 Energy: 0.35059787564260964 Energy: 0.3505978756429855 Energy: 0.3687098022569152 Energy: 0.390560619096283 Energy: 0.390560619096283 Energy: 0.35143456124095146 Energy: 0.3764365701648646 Energy: 0.3764365701644888 minimum gb energy = 0.3492072409993271 eV minimum distance = 2.52359746260629 Angstroms sigma value = 169 ======================================== theta = 46.39718102729638 ======================================== Energy: 0.36090063537437783 Energy: 0.3770072407248834 Energy: 0.377007240728091 Energy: 0.3777337574670151 Energy: 0.360819309017257 Energy: 0.3608193090127664 Energy: 0.3962291703371365 Energy: 0.3649324342246426 Energy: 0.3649324342214642 Energy: 0.3568625701986718 Energy: 0.3689423826586837 Energy: 0.3689423826625327 Energy: 0.3728909068217376 Energy: 0.3649940890257089 Energy: 0.36499408902699193 Energy: 0.4080962153002624 Energy: 0.35347790423055514 Energy: 0.35347790422349845 Energy: 0.3518717911259027 Energy: 0.3769773578680915 Energy: 0.3769773578655254 Energy: 0.35188431685051486 Energy: 0.36078119421039845 Energy: 0.36078119420337096 Energy: 0.44775655549838056 Energy: 0.3748472600843046 Energy: 0.37484726008366304 Energy: 0.3568147322676087 Energy: 0.37724533324712867 Energy: 0.37724533324969467 minimum gb energy = 0.3518717911259027 eV minimum distance = 2.51967898827579 Angstroms sigma value = 29 ======================================== theta = 47.92497794915637 ======================================== Energy: 0.3719489080724829 Energy: 0.38057955131580323 Energy: 0.38057955131481114 Energy: 0.36805007502942233 Energy: 0.38911664296759907 Energy: 0.38911664296759907 Energy: 0.41655271130654103 Energy: 0.3606959173091088 Energy: 0.3606959173096049 Energy: 0.362291001033742 Energy: 0.39079619381785674 Energy: 0.39079619381785674 Energy: 0.3679587513181452 Energy: 0.3750913027171883 Energy: 0.3750913027166922 Energy: 0.4066525383987132 Energy: 0.3621567233512912 Energy: 0.3621567233517872 Energy: 0.37743035994485963 Energy: 0.3697654138392753 Energy: 0.369765413837291 Energy: 0.36755642671479705 Energy: 0.3811216991763191 Energy: 0.381121699175327 Energy: 0.39015998899053805 Energy: 0.36620724650097314 Energy: 0.366207246499981 Energy: 0.41218560197507914 Energy: 0.39751868437045373 Energy: 0.397518684372438 minimum gb energy = 0.3606959173091088 eV minimum distance = 2.47053115011666 Angstroms sigma value = 97 ======================================== theta = 48.88790956083307 ======================================== Energy: 0.3646682767265541 Energy: 0.37529015154641454 Energy: 0.37529015154601025 Energy: 0.36323766859452644 Energy: 0.38803317924402075 Energy: 0.38803317924361647 Energy: 0.3759786181595567 Energy: 0.3634637420750543 Energy: 0.3634637420734369 Energy: 0.3720473324294185 Energy: 0.3574492408970721 Energy: 0.3574492408958591 Energy: 0.43958514588442843 Energy: 0.359706159914713 Energy: 0.35970615991188265 Energy: 0.38854706558553065 Energy: 0.3660436718500684 Energy: 0.36604367185209014 Energy: 0.3709298015375214 Energy: 0.36598922459136163 Energy: 0.3659892245921703 Energy: 0.36559112269624067 Energy: 0.3667913552032658 Energy: 0.3667913552024571 Energy: 0.36094167399856913 Energy: 0.3760749153221515 Energy: 0.3760749153225559 Energy: 0.3563956537800627 Energy: 0.38397216434197934 Energy: 0.3839721643363186 minimum gb energy = 0.3563956537800627 eV minimum distance = 2.52470404353536 Angstroms sigma value = 73 ======================================== theta = 49.55028113766384 ======================================== Energy: 0.3635331515551576 Energy: 0.3796388708526921 Energy: 0.3796388708520096 Energy: 0.42208652077022085 Energy: 0.3670366458715518 Energy: 0.3670366458725755 Energy: 0.35841704986575124 Energy: 0.3808737188117985 Energy: 0.38087371881248094 Energy: 0.4421965958863331 Energy: 0.36260275783642704 Energy: 0.3626027578367683 Energy: 0.3713490611503962 Energy: 0.3896064628925372 Energy: 0.3896064628925372 Energy: 0.3789414967988371 Energy: 0.35828454621336636 Energy: 0.35828454621268385 Energy: 0.3622862104429179 Energy: 0.37344429395655654 Energy: 0.37344429395553286 Energy: 0.37616692771518295 Energy: 0.3600071991553447 Energy: 0.3600071991556859 Energy: 0.3713357805536886 Energy: 0.371993358044185 Energy: 0.3719933580438438 Energy: 0.3889802990803695 Energy: 0.3583128482260217 Energy: 0.3583128482267042 minimum gb energy = 0.35828454621268385 eV minimum distance = 2.51771761444678 Angstroms sigma value = 205 ======================================== theta = 50.033786956200046 ======================================== Energy: 0.36623476987080744 Energy: 0.38135742667934536 Energy: 0.38135742668023087 Energy: 0.36368115067741325 Energy: 0.3813543873016956 Energy: 0.3813543872568593 Energy: 0.3645401118118138 Energy: 0.3868947626034532 Energy: 0.3868947626043386 Energy: 0.36890558512344523 Energy: 0.36254553259010097 Energy: 0.3625455325898059 Energy: 0.3717676745440081 Energy: 0.3620744407958116 Energy: 0.36207444078754725 Energy: 0.37563883049268104 Energy: 0.3626130534796796 Energy: 0.36261305347023465 Energy: 0.40296824555643856 Energy: 0.3626140570587754 Energy: 0.36261405706497357 Energy: 0.41176467361086544 Energy: 0.36356200318135995 Energy: 0.3635620031819502 Energy: 0.3821280880225008 Energy: 0.3635720396629474 Energy: 0.3635720396661941 Energy: 0.3934623255683677 Energy: 0.3620022477614086 Energy: 0.36200224775402984 minimum gb energy = 0.36200224775402984 eV minimum distance = 2.52190633805004 Angstroms sigma value = 137 ======================================== theta = 53.13010235415598 ======================================== Energy: 0.3524389588651789 Energy: 0.3845142617264267 Energy: 0.384514295024294 Energy: 0.34906517640589996 Energy: 0.35824176804993874 Energy: 0.35824176804951663 Energy: 0.37969852245042757 Energy: 0.3526375438776772 Energy: 0.3526375069494349 Energy: 0.35261575462292194 Energy: 0.34162992943847587 Energy: 0.3416299294327901 Energy: 0.35825208688533616 Energy: 0.3582572343450086 Energy: 0.35825723434458656 Energy: 0.3362735050329677 Energy: 0.3583060071174706 Energy: 0.35830600711789273 Energy: 0.34908279290810657 Energy: 0.3363111333653656 Energy: 0.336311133368643 Energy: 0.33626497315989806 Energy: 0.363042931997557 Energy: 0.3630429134880986 Energy: 0.33627007961301875 Energy: 0.35239627743781016 Energy: 0.35239628188740757 Energy: 0.3416300757555025 Energy: 0.3362670028671677 Energy: 0.3362670028483972 minimum gb energy = 0.33626497315989806 eV minimum distance = 2.56327436421698 Angstroms sigma value = 5 ======================================== theta = 56.144973871705915 ======================================== Energy: 0.356861246830656 Energy: 0.3780943044349544 Energy: 0.3780943044352418 Energy: 0.35080054809818967 Energy: 0.3739609839099435 Energy: 0.3739609839096561 Energy: 0.3472227560611415 Energy: 0.34908335021873704 Energy: 0.34908335021931186 Energy: 0.35112264362003504 Energy: 0.3497354147530926 Energy: 0.34973541475251785 Energy: 0.3668466628859189 Energy: 0.34897365070300573 Energy: 0.34897365070446884 Energy: 0.3800341713030774 Energy: 0.34848095306628213 Energy: 0.3484809530668569 Energy: 0.3565122748955376 Energy: 0.35790373805308595 Energy: 0.35790373805308595 Energy: 0.35071834318980866 Energy: 0.35329679416899407 Energy: 0.35329679416899407 Energy: 0.3525423024517678 Energy: 0.3537679250744269 Energy: 0.3537679250741395 Energy: 0.34782766948494026 Energy: 0.3521821360482652 Energy: 0.35218213604883997 minimum gb energy = 0.3472227560611415 eV minimum distance = 2.55916961438734 Angstroms sigma value = 289 ======================================== theta = 56.60151153201276 ======================================== Energy: 0.3523149304276985 Energy: 0.37637269087615277 Energy: 0.37637269087383646 Energy: 0.3486825482590869 Energy: 0.345662845822877 Energy: 0.34566284581989887 Energy: 0.3820572316583551 Energy: 0.34446749918313474 Energy: 0.34446749918909086 Energy: 0.352113911607604 Energy: 0.3533165864483135 Energy: 0.35331658645228425 Energy: 0.35005636151515745 Energy: 0.36143281107278 Energy: 0.3614328110754272 Energy: 0.3714332452740074 Energy: 0.3607192111692088 Energy: 0.360719211165569 Energy: 0.3420098606347698 Energy: 0.3493678354430476 Energy: 0.3493678354407614 Energy: 0.3429409351327481 Energy: 0.34842319297814306 Energy: 0.34842319297979757 Energy: 0.3629766357106193 Energy: 0.3494445596597976 Energy: 0.3494445596568195 Energy: 0.36354627726061806 Energy: 0.34626691228332435 Energy: 0.34626691228497886 minimum gb energy = 0.3420098606347698 eV minimum distance = 2.53776412808363 Angstroms sigma value = 109 ======================================== theta = 57.22091933193044 ======================================== Energy: 0.3466188425198395 Energy: 0.3745231982035168 Energy: 0.37452319820390667 Energy: 0.350096370324497 Energy: 0.34198406023876293 Energy: 0.3419840602383731 Energy: 0.35942798230337486 Energy: 0.3404559460716869 Energy: 0.34045594607090707 Energy: 0.3435636413877536 Energy: 0.3740623008271926 Energy: 0.3740623008264128 Energy: 0.3443814068595881 Energy: 0.34257778907195485 Energy: 0.34257778907234476 Energy: 0.39446120071760726 Energy: 0.34248854840770393 Energy: 0.3424885484069241 Energy: 0.3373728321842992 Energy: 0.34320379945155965 Energy: 0.3432037994519496 Energy: 0.3429161647365912 Energy: 0.35696090566058264 Energy: 0.35696090566058264 Energy: 0.3839234071331559 Energy: 0.34259725239370287 Energy: 0.34259725239331296 Energy: 0.336425339390243 Energy: 0.3504235721298026 Energy: 0.3504235721294126 minimum gb energy = 0.336425339390243 eV minimum distance = 2.5275354507022 Angstroms sigma value = 157 ======================================== theta = 58.10920819815429 ======================================== Energy: 0.3389799621776086 Energy: 0.37250432729999206 Energy: 0.372504327299043 Energy: 0.34088196659883274 Energy: 0.333112622522791 Energy: 0.3331126225199438 Energy: 0.33034829784694025 Energy: 0.3347977269869028 Energy: 0.33479772698642823 Energy: 0.3409012907864226 Energy: 0.3434585116254313 Energy: 0.3434585116244822 Energy: 0.3926207983930858 Energy: 0.3339783546068153 Energy: 0.3339783546077643 Energy: 0.38123364336358956 Energy: 0.3317823869747089 Energy: 0.3317823869789582 Energy: 0.3636641500403322 Energy: 0.33035107218255294 Energy: 0.33035107218255294 Energy: 0.33270450596192463 Energy: 0.33306914319562064 Energy: 0.33306914319562064 Energy: 0.34201156444773084 Energy: 0.33315181814602196 Energy: 0.3331518181445983 Energy: 0.33269394111776496 Energy: 0.34157323261826755 Energy: 0.34157323261542033 minimum gb energy = 0.33034829784694025 eV minimum distance = 2.51522250609266 Angstroms sigma value = 53 ======================================== theta = 59.48976259388444 ======================================== Energy: 0.3440302661029573 Energy: 0.36093568552056227 Energy: 0.36093568551935035 Energy: 0.35881758854422213 Energy: 0.3381037055229522 Energy: 0.3381037055247702 Energy: 0.33504061389238615 Energy: 0.36250583690770477 Energy: 0.36250583695618394 Energy: 0.3610449684731137 Energy: 0.3344688689916564 Energy: 0.33446886899468636 Energy: 0.33105580164631243 Energy: 0.3343272174683062 Energy: 0.3343272174677002 Energy: 0.404979639874687 Energy: 0.3370929157638948 Energy: 0.3370929157632888 Energy: 0.33106110996265997 Energy: 0.334322178625779 Energy: 0.33432217862335506 Energy: 0.38048803435544337 Energy: 0.35120338593406664 Energy: 0.3512033859310367 Energy: 0.33575844503080643 Energy: 0.35758145803211194 Energy: 0.3575814580308999 Energy: 0.39567232326347335 Energy: 0.33782757335824226 Energy: 0.33782757335824226 minimum gb energy = 0.33105580164631243 eV minimum distance = 2.52058333131005 Angstroms sigma value = 1 ======================================== theta = 60.512874327058526 ======================================== Energy: 0.34702459214717674 Energy: 0.34566191559746495 Energy: 0.34566191559676157 Energy: 0.34244430435452144 Energy: 0.33906958757160094 Energy: 0.3390695875733593 Energy: 0.32750437253338816 Energy: 0.3314657745451172 Energy: 0.3314657745517991 Energy: 0.33247818618613195 Energy: 0.32844755108614954 Energy: 0.3284475510857978 Energy: 0.37539724102051547 Energy: 0.32408006115784016 Energy: 0.3240800611567851 Energy: 0.32264890654883766 Energy: 0.3602439622796977 Energy: 0.3602439622807527 Energy: 0.3780162171262385 Energy: 0.3328241736119477 Energy: 0.3328241735936606 Energy: 0.3275111936303737 Energy: 0.34561251251211195 Energy: 0.3456125125117603 Energy: 0.3282489159103592 Energy: 0.33250775529595716 Energy: 0.3325077552956055 Energy: 0.33973598127907195 Energy: 0.3411227258833166 Energy: 0.3411227258826133 minimum gb energy = 0.32264890654883766 eV minimum distance = 2.51163792567219 Angstroms sigma value = 3 ======================================== theta = 61.92751306414704 ======================================== Energy: 0.33083545869194464 Energy: 0.31570461422109913 Energy: 0.3157046142236128 Energy: 0.3118812880631883 Energy: 0.3406908987839249 Energy: 0.34069089878560066 Energy: 0.314379348789725 Energy: 0.3466056803599504 Energy: 0.34660568036078826 Energy: 0.31187948924830355 Energy: 0.3063752725715488 Energy: 0.3063752725707109 Energy: 0.33084080850830727 Energy: 0.32633110981465635 Energy: 0.3263311098138184 Energy: 0.3351350179860289 Energy: 0.30864676050173184 Energy: 0.3086467605008939 Energy: 0.32042408736731864 Energy: 0.3063034969620011 Energy: 0.3063034969620011 Energy: 0.3308406942345312 Energy: 0.308665717287204 Energy: 0.30866571728887976 Energy: 0.3118814500623646 Energy: 0.3382788395134289 Energy: 0.3382788395134289 Energy: 0.314380955605043 Energy: 0.34428551665502444 Energy: 0.34428551665502444 minimum gb energy = 0.3063034969620011 eV minimum distance = 2.53608802408597 Angstroms sigma value = 17 ======================================== theta = 63.2150044924978 ======================================== Energy: 0.3582832432188531 Energy: 0.3400841319109033 Energy: 0.340084131914104 Energy: 0.3156354209852171 Energy: 0.3461191322921193 Energy: 0.3461191322885986 Energy: 0.31952305806287823 Energy: 0.32801057475194395 Energy: 0.32801057475194395 Energy: 0.36549874783133846 Energy: 0.3221866086098029 Energy: 0.3221866086098029 Energy: 0.3669917052145896 Energy: 0.31807414771783676 Energy: 0.31807414771687653 Energy: 0.33793116984196436 Energy: 0.3318419903222925 Energy: 0.33184199031816064 Energy: 0.3541481610120288 Energy: 0.32062944271660987 Energy: 0.32062944271564964 Energy: 0.3161179435367977 Energy: 0.333152013149716 Energy: 0.3331520131423544 Energy: 0.31594561835202 Energy: 0.3178181926421785 Energy: 0.3178181926396179 Energy: 0.31667157884949687 Energy: 0.3274353629798091 Energy: 0.3274353629759682 minimum gb energy = 0.3156354209852171 eV minimum distance = 2.52565106595852 Angstroms sigma value = 233 ======================================== theta = 64.01076641616699 ======================================== Energy: 0.3339093846994846 Energy: 0.32579591802395164 Energy: 0.3257959180213622 Energy: 0.3202437011092329 Energy: 0.3339655723642506 Energy: 0.3339655723647684 Energy: 0.3283642076665714 Energy: 0.32479443295989924 Energy: 0.3247944329614529 Energy: 0.33937072306187394 Energy: 0.3166453586474156 Energy: 0.3166453586479335 Energy: 0.318374651729236 Energy: 0.33264121400655233 Energy: 0.33264121400655233 Energy: 0.3184097781831002 Energy: 0.3369986663790558 Energy: 0.3369986663775021 Energy: 0.318374952191036 Energy: 0.33257928962785904 Energy: 0.33257928962785904 Energy: 0.37721851102254145 Energy: 0.32475939024225936 Energy: 0.32475939024225936 Energy: 0.3202456869903786 Energy: 0.3248237187422716 Energy: 0.32482371874278954 Energy: 0.3202421415132386 Energy: 0.33474000808896565 Energy: 0.33474000809051935 minimum gb energy = 0.3166453586474156 eV minimum distance = 2.55093515455266 Angstroms sigma value = 89 ======================================== theta = 64.94238458169698 ======================================== Energy: 0.3491075602048387 Energy: 0.3278854781032198 Energy: 0.3278854781050934 Energy: 0.3447926088236982 Energy: 0.31813767169118223 Energy: 0.31813767169343055 Energy: 0.31235915395030667 Energy: 0.3256889062095257 Energy: 0.32568890620802693 Energy: 0.36033722268334756 Energy: 0.3107995440259912 Energy: 0.31079954402748994 Energy: 0.3080386274845428 Energy: 0.33800220906869644 Energy: 0.33800220907394235 Energy: 0.3909920869408642 Energy: 0.3076913859784289 Energy: 0.3076913859780542 Energy: 0.30786708871899565 Energy: 0.30708811471460146 Energy: 0.30708811471572556 Energy: 0.3637507681652527 Energy: 0.3133978216983939 Energy: 0.3133978216991434 Energy: 0.3078896306982795 Energy: 0.30708042243137057 Energy: 0.30708042243211997 Energy: 0.3819162368603835 Energy: 0.3100834964491796 Energy: 0.310083496452518 minimum gb energy = 0.30708042243137057 eV minimum distance = 2.55000564794698 Angstroms sigma value = 85 ======================================== theta = 65.4704525442152 ======================================== Energy: 0.3451414578999832 Energy: 0.3221914577078947 Energy: 0.32219145770965596 Energy: 0.31717735382282175 Energy: 0.31292335286575806 Energy: 0.3129233528581258 Energy: 0.3168717733243376 Energy: 0.31293099872908203 Energy: 0.312930998728495 Energy: 0.3406366973792774 Energy: 0.32126590580763964 Energy: 0.3212659058082268 Energy: 0.31335813001508633 Energy: 0.3107979961401066 Energy: 0.3107979961415744 Energy: 0.3137466262127361 Energy: 0.31146389050995427 Energy: 0.3114638905073124 Energy: 0.31413172750493046 Energy: 0.33745791160054245 Energy: 0.3374579115973135 Energy: 0.3099953259124949 Energy: 0.32230941840421734 Energy: 0.3223094183983463 Energy: 0.32376693560825787 Energy: 0.3207045356078539 Energy: 0.320704535601716 Energy: 0.35136651736787333 Energy: 0.31141237130382926 Energy: 0.3114123713035358 minimum gb energy = 0.3099953259124949 eV minimum distance = 2.54407067861273 Angstroms sigma value = 69 ======================================== theta = 67.38013505195957 ======================================== Energy: 0.28727689718668054 Energy: 0.2873455574889999 Energy: 0.2873455574889999 Energy: 0.2873353883369334 Energy: 0.2873474902656222 Energy: 0.28734749026426715 Energy: 0.2966119450790885 Energy: 0.29215469614750716 Energy: 0.29215469614615214 Energy: 0.294133721733201 Energy: 0.29219428227111366 Energy: 0.29219428227111366 Energy: 0.29413402917000275 Energy: 0.292166872634875 Energy: 0.292166872634875 Energy: 0.4529134041926851 Energy: 0.2941340997520932 Energy: 0.2941340997507382 Energy: 0.29413426290139544 Energy: 0.28738811834054406 Energy: 0.28738811834054406 Energy: 0.2873840133943973 Energy: 0.3297759848132798 Energy: 0.3297759848119247 Energy: 0.29413287490659223 Energy: 0.29224530910797936 Energy: 0.29224530910797936 Energy: 0.28733494127052467 Energy: 0.2921434452753451 Energy: 0.29214344527263497 minimum gb energy = 0.28727689718668054 eV minimum distance = 2.57426523114628 Angstroms sigma value = 13 ======================================== theta = 69.39030706246794 ======================================== Energy: 0.3746439654373279 Energy: 0.3041399200816421 Energy: 0.3041400455210978 Energy: 0.2966383285891593 Energy: 0.29594211180409663 Energy: 0.29594211180007973 Energy: 0.2982284132839952 Energy: 0.3427780027807802 Energy: 0.34277800278139825 Energy: 0.29324285924605087 Energy: 0.2938154256037746 Energy: 0.2938154256077915 Energy: 0.2926876447329291 Energy: 0.2947473894067559 Energy: 0.2947473894067559 Energy: 0.2923004934407138 Energy: 0.2938159558584268 Energy: 0.29381595586831455 Energy: 0.29988857530292173 Energy: 0.2938391912536086 Energy: 0.29383919125299063 Energy: 0.3364318534806127 Energy: 0.2967946650628809 Energy: 0.29679466506349883 Energy: 0.3453050051179181 Energy: 0.29402990723583117 Energy: 0.29402990724262906 Energy: 0.3374883746992973 Energy: 0.29362347494143176 Energy: 0.2936234749389598 minimum gb energy = 0.2923004934407138 eV minimum distance = 2.56079572633318 Angstroms sigma value = 125 ======================================== theta = 69.98404039711733 ======================================== Energy: 0.29759589148100307 Energy: 0.29699207726696875 Energy: 0.2969920772793764 Energy: 0.3039307829706473 Energy: 0.2922895790274685 Energy: 0.29228957902466673 Energy: 0.28994771321021584 Energy: 0.28812700635888033 Energy: 0.28812700635928057 Energy: 0.2852911962969049 Energy: 0.3142335395828213 Energy: 0.31423353958322153 Energy: 0.3795797865005646 Energy: 0.28485454301044516 Energy: 0.28485454301044516 Energy: 0.2899440202997535 Energy: 0.2870554439221922 Energy: 0.2870554439213917 Energy: 0.2870177999116566 Energy: 0.28438093297720757 Energy: 0.284380932978008 Energy: 0.3427748983739294 Energy: 0.2891248874558003 Energy: 0.2891248874558003 Energy: 0.28646417496643567 Energy: 0.33943262947410213 Energy: 0.3394326294749026 Energy: 0.2848268417968529 Energy: 0.2922887365533497 Energy: 0.2922887365529494 minimum gb energy = 0.28438093297720757 eV minimum distance = 2.55189006001306 Angstroms sigma value = 37 ======================================== theta = 71.07535558394876 ======================================== Energy: 0.2947333969400194 Energy: 0.29725657291562363 Energy: 0.29725657285712537 Energy: 0.28851539093371353 Energy: 0.29047124978187094 Energy: 0.2904712497773274 Energy: 0.28851807367523963 Energy: 0.29047433280061297 Energy: 0.29047433280345264 Energy: 0.28416008853919794 Energy: 0.28876660283114597 Energy: 0.28876660283171396 Energy: 0.35259565095140144 Energy: 0.28876556152038413 Energy: 0.28876556152038413 Energy: 0.28851507119213227 Energy: 0.290491348310346 Energy: 0.29049134830409856 Energy: 0.28635947616946034 Energy: 0.3051896959384391 Energy: 0.3051896959373549 Energy: 0.4130946652221666 Energy: 0.2887515430160943 Energy: 0.2887515430143904 Energy: 0.29863480707370865 Energy: 0.2865718363762429 Energy: 0.28657183637681083 Energy: 0.28637810793966445 Energy: 0.3035960731653734 Energy: 0.30359607322159987 minimum gb energy = 0.28416008853919794 eV minimum distance = 2.58768365252653 Angstroms sigma value = 37 ======================================== theta = 72.05474677020722 ======================================== Energy: 0.36932103942535033 Energy: 0.2910228272499913 Energy: 0.2910228272507097 Energy: 0.2803089582595526 Energy: 0.28172208512240526 Energy: 0.28172208512240526 Energy: 0.27567519633676174 Energy: 0.27697244120467973 Energy: 0.2769724412043205 Energy: 0.2770810536708648 Energy: 0.32814761657515995 Energy: 0.3281476165758783 Energy: 0.2832808406281871 Energy: 0.27697186685448333 Energy: 0.27697186685484254 Energy: 0.36211448400611845 Energy: 0.28080827243475803 Energy: 0.280808272432962 Energy: 0.2796066933697643 Energy: 0.3255740424064207 Energy: 0.3255740424049839 Energy: 0.4213626199973695 Energy: 0.27961687948422653 Energy: 0.27961687948422653 Energy: 0.27853801611331497 Energy: 0.28495522781671223 Energy: 0.28495522781743055 Energy: 0.27600520920994576 Energy: 0.3003615105966437 Energy: 0.30036151059592525 minimum gb energy = 0.27567519633676174 eV minimum distance = 2.56681005046368 Angstroms sigma value = 185 ======================================== theta = 72.50767547488958 ======================================== Energy: 0.3513281336728411 Energy: 0.29033944155536145 Energy: 0.2903394415621905 Energy: 0.28598132338661214 Energy: 0.2836273971723955 Energy: 0.28362739716948243 Energy: 0.3447952740953963 Energy: 0.28437216903556106 Energy: 0.2843721690363252 Energy: 0.2827006401395489 Energy: 0.32665015910110823 Energy: 0.32665015908563555 Energy: 0.3244084788618017 Energy: 0.28066624451341976 Energy: 0.28066624451499567 Energy: 0.28054340468718986 Energy: 0.2812463046741692 Energy: 0.2812463046801864 Energy: 0.2816035915540098 Energy: 0.2812353061651934 Energy: 0.2812353061588897 Energy: 0.35532456752800384 Energy: 0.28218294598828453 Energy: 0.2821829459953523 Energy: 0.2823319900551919 Energy: 0.2817550390502468 Energy: 0.28175503906127825 Energy: 0.34479136126942056 Energy: 0.2843483596196834 Energy: 0.2843483596120425 minimum gb energy = 0.28054340468718986 eV minimum distance = 2.55184165037234 Angstroms sigma value = 173 ======================================== theta = 73.73979529168804 ======================================== Energy: 0.26268790861127433 Energy: 0.27564883948873264 Energy: 0.27564883948873264 Energy: 0.26320612749266875 Energy: 0.27894488205225093 Energy: 0.2789448820561373 Energy: 0.26486572351553855 Energy: 0.26716154268111825 Energy: 0.26715398584073174 Energy: 0.26713925024495977 Energy: 0.27667066659444517 Energy: 0.27667066763755116 Energy: 0.26486677371535566 Energy: 0.26005824844437075 Energy: 0.26005824844339365 Energy: 0.2684048919613666 Energy: 0.2626944374423462 Energy: 0.26269443743843773 Energy: 0.26120020688142115 Energy: 0.29230549636320724 Energy: 0.29230549636320724 Energy: 0.26268675267458585 Energy: 0.26271414336858745 Energy: 0.26271414336858745 Energy: 0.2612055134377642 Energy: 0.26270324651068816 Energy: 0.26270324651166527 Energy: 0.2648648764699997 Energy: 0.2627028475761814 Energy: 0.2627028475771585 minimum gb energy = 0.26005824844339365 eV minimum distance = 2.58031578739916 Angstroms sigma value = 25 ======================================== theta = 75.13718405765499 ======================================== Energy: 0.33788705030743316 Energy: 0.2715416895205193 Energy: 0.2715416895478974 Energy: 0.2626583480540707 Energy: 0.26833813358151826 Energy: 0.2683381335827098 Energy: 0.2922214248850046 Energy: 0.2674408647176187 Energy: 0.26744086471821443 Energy: 0.26371321288762806 Energy: 0.2638989820743681 Energy: 0.26389898207377244 Energy: 0.2649275044267806 Energy: 0.30879214916904785 Energy: 0.30879214917083514 Energy: 0.2683343733408914 Energy: 0.26377751284885453 Energy: 0.26377751284885453 Energy: 0.2657306851325744 Energy: 0.2663786816280361 Energy: 0.26637868162892975 Energy: 0.3995484386480819 Energy: 0.26339841389291796 Energy: 0.2633984138938116 Energy: 0.26323045047925486 Energy: 0.2659671989141376 Energy: 0.2659671989132439 Energy: 0.26261856495708336 Energy: 0.2743700297441434 Energy: 0.27437002974354757 minimum gb energy = 0.26261856495708336 eV minimum distance = 2.57699509374172 Angstroms sigma value = 269 ======================================== theta = 75.74996730219641 ======================================== Energy: 0.35449178840068923 Energy: 0.2621830911896109 Energy: 0.26218309117804145 Energy: 0.2510742441622885 Energy: 0.2596446394641962 Energy: 0.2596446394594827 Energy: 0.26758947245268727 Energy: 0.2530306774032195 Energy: 0.25303067740536195 Energy: 0.25484869927813353 Energy: 0.25580978183311687 Energy: 0.2558097818314029 Energy: 0.2548505817632951 Energy: 0.2671189257127794 Energy: 0.26711892561254963 Energy: 0.25164642359292777 Energy: 0.25964234659815394 Energy: 0.25964234659772545 Energy: 0.3142488304484477 Energy: 0.2536858524009388 Energy: 0.2536858524017958 Energy: 0.3526225818064761 Energy: 0.25581017031671427 Energy: 0.25581017031928527 Energy: 0.25164633866148095 Energy: 0.2628861435903652 Energy: 0.26288614359165074 Energy: 0.25166075070985383 Energy: 0.25964323129780237 Energy: 0.2596432313016589 minimum gb energy = 0.2510742441622885 eV minimum distance = 2.57238838747518 Angstroms sigma value = 65 ======================================== theta = 76.31445317473812 ======================================== Energy: 0.3869254633228737 Energy: 0.2654137871823864 Energy: 0.26541378717939296 Energy: 0.2650215668652888 Energy: 0.25906273643499045 Energy: 0.2590627364344416 Energy: 0.25889126127737716 Energy: 0.2663664568747099 Energy: 0.2663664568620873 Energy: 0.29822128725085006 Energy: 0.2564915032240696 Energy: 0.2564915032243191 Energy: 0.2582132125232967 Energy: 0.2653108746762074 Energy: 0.26531087467650677 Energy: 0.3376051862471096 Energy: 0.256892143246553 Energy: 0.2568921432460042 Energy: 0.2577360569600651 Energy: 0.30236517649431166 Energy: 0.3023651764945612 Energy: 0.411765405251319 Energy: 0.2568920004024484 Energy: 0.2568920004038454 Energy: 0.2577334879825742 Energy: 0.2588861856722514 Energy: 0.25888618568567223 Energy: 0.3156661487111374 Energy: 0.25663827341052076 Energy: 0.2566382733940566 minimum gb energy = 0.2564915032240696 eV minimum distance = 2.57093751132832 Angstroms sigma value = 79 ======================================== theta = 77.31961650818018 ======================================== Energy: 0.2503222967162332 Energy: 0.24897470731315843 Energy: 0.24897470731392146 Energy: 0.2419458781920014 Energy: 0.24529455095280925 Energy: 0.24529455095280925 Energy: 0.3280733616187785 Energy: 0.24359173965872064 Energy: 0.24359173965872064 Energy: 0.24359320460467854 Energy: 0.250356838239848 Energy: 0.25035683824061106 Energy: 0.24362325915911884 Energy: 0.24894473604990633 Energy: 0.24894473605143233 Energy: 0.24411120381115178 Energy: 0.24195752926824068 Energy: 0.24195752926824068 Energy: 0.24360811833714563 Energy: 0.24362690503096043 Energy: 0.24362690503248646 Energy: 0.2503249713296404 Energy: 0.25035686082784786 Energy: 0.25035686082632186 Energy: 0.2419097337851606 Energy: 0.241946673453679 Energy: 0.241946673453679 Energy: 0.24601646921483744 Energy: 0.2419209718765235 Energy: 0.24192097187576048 minimum gb energy = 0.2419097337851606 eV minimum distance = 2.57469996705227 Angstroms sigma value = 41 ======================================== theta = 78.57881372500071 ======================================== Energy: 0.32010328478964994 Energy: 0.2459261265484326 Energy: 0.24592612655496388 Energy: 0.2354879436661927 Energy: 0.24039784552213778 Energy: 0.2403978455255753 Energy: 0.24136435062167597 Energy: 0.24037656584787873 Energy: 0.24037656583412864 Energy: 0.3230249518140404 Energy: 0.2389479511712555 Energy: 0.238947951166443 Energy: 0.31285390634633453 Energy: 0.23895978981416027 Energy: 0.23895978981687907 Energy: 0.2380884350854193 Energy: 0.23893895729606263 Energy: 0.23893895730187514 Energy: 0.23856638862288915 Energy: 0.24041113185120913 Energy: 0.24041113184605287 Energy: 0.37956385634035317 Energy: 0.24039685550664064 Energy: 0.24039685550560938 Energy: 0.2656226515459122 Energy: 0.23526326730682862 Energy: 0.2352632673040786 Energy: 0.24136210645937542 Energy: 0.23776845697849067 Energy: 0.23776845697230314 minimum gb energy = 0.2352632673040786 eV minimum distance = 2.57879564770038 Angstroms sigma value = 101 ======================================== theta = 79.61114218453038 ======================================== Energy: 0.3685741909890464 Energy: 0.23637181595574608 Energy: 0.23637181592759668 Energy: 0.25890521788246235 Energy: 0.22847406582763935 Energy: 0.2284740658282649 Energy: 0.2281357401306763 Energy: 0.23080826060689363 Energy: 0.23080826060626808 Energy: 0.22795463866992913 Energy: 0.23077671546429127 Energy: 0.23077671546366568 Energy: 0.2281411580621151 Energy: 0.2307274151086839 Energy: 0.2307274151086839 Energy: 0.22725178491158368 Energy: 0.23077811575648577 Energy: 0.2307781157539836 Energy: 0.22725012947845577 Energy: 0.2308010994346148 Energy: 0.2308010994352403 Energy: 0.35838846505929395 Energy: 0.23078608118543234 Energy: 0.23078608118543234 Energy: 0.3569639554642453 Energy: 0.23078791344014296 Energy: 0.2307879134395174 Energy: 0.2281203781118815 Energy: 0.24087274913902415 Energy: 0.24087274913964973 minimum gb energy = 0.22725012947845577 eV minimum distance = 2.59264123199379 Angstroms sigma value = 15 ======================================== theta = 80.47271661854764 ======================================== Energy: 0.3552357056789772 Energy: 0.23124483054856995 Energy: 0.23124483055519457 Energy: 0.28521624560734987 Energy: 0.2275512587419032 Energy: 0.2275512587464935 Energy: 0.22312713365919531 Energy: 0.22756155529804864 Energy: 0.22756155530034378 Energy: 0.2246605562339456 Energy: 0.22755345002058144 Energy: 0.22755345001630412 Energy: 0.35210694937029263 Energy: 0.2234647561710236 Energy: 0.2234647561650249 Energy: 0.22315004161398147 Energy: 0.22580113422656506 Energy: 0.22580113422254855 Energy: 0.22239477656481005 Energy: 0.22755311672860024 Energy: 0.22755311672886103 Energy: 0.3996993297728019 Energy: 0.2271238905618052 Energy: 0.2271238905581017 Energy: 0.22267187467290112 Energy: 0.22756051277204686 Energy: 0.22756051277606337 Energy: 0.22649507910505057 Energy: 0.22755129613349698 Energy: 0.2275512961349054 minimum gb energy = 0.22239477656481005 eV minimum distance = 2.58879490749219 Angstroms sigma value = 145 ======================================== theta = 81.20258929000894 ======================================== Energy: 0.36993345851475423 Energy: 0.22563238694672852 Energy: 0.22563238694513876 Energy: 0.24841899920139277 Energy: 0.22252877673464433 Energy: 0.22252877673464433 Energy: 0.2166597555995223 Energy: 0.21737388436253072 Energy: 0.21737388436412047 Energy: 0.2235536536210195 Energy: 0.2199261175300108 Energy: 0.21992611753478009 Energy: 0.2171282730427441 Energy: 0.21910129072932483 Energy: 0.2191012907309146 Energy: 0.21691382195405154 Energy: 0.2225809601319119 Energy: 0.2225809601303221 Energy: 0.24722039331435294 Energy: 0.24378365777027616 Energy: 0.24378365776921632 Energy: 0.359135251355639 Energy: 0.22259667007932996 Energy: 0.22259667007880002 Energy: 0.2784926284641257 Energy: 0.21910687290944614 Energy: 0.21910687290944614 Energy: 0.26326612763054863 Energy: 0.2167054925773439 Energy: 0.21670549257787383 minimum gb energy = 0.2166597555995223 eV minimum distance = 2.57872290067295 Angstroms sigma value = 85 ======================================== theta = 81.82876644005026 ======================================== Energy: 0.39832508267309247 Energy: 0.22155701034680553 Energy: 0.22155701034188285 Energy: 0.21201011710345366 Energy: 0.23837810198164947 Energy: 0.2383781019718041 Energy: 0.2120776988079531 Energy: 0.21599475248008912 Energy: 0.2159947524850118 Energy: 0.2807730479429848 Energy: 0.21974804086739788 Energy: 0.21974804086493652 Energy: 0.2816115880992388 Energy: 0.21643779200911045 Energy: 0.21643779198941968 Energy: 0.2126039347730448 Energy: 0.2165018980200738 Energy: 0.21650189802499653 Energy: 0.22519662019520117 Energy: 0.2165145603364776 Energy: 0.21651456033401623 Energy: 0.42894698845253226 Energy: 0.21538217954540612 Energy: 0.21538217953802208 Energy: 0.24530881733012502 Energy: 0.2417916134011634 Energy: 0.2417916134085474 Energy: 0.21413981635726503 Energy: 0.21729408316895796 Energy: 0.21729408315172852 minimum gb energy = 0.21201011710345366 eV minimum distance = 2.58702535367636 Angstroms sigma value = 197 ======================================== theta = 82.3718503314193 ======================================== Energy: 0.30375851946591653 Energy: 0.20695425469447828 Energy: 0.2069542546930995 Energy: 0.19974256617942127 Energy: 0.19975819243478415 Energy: 0.19975819243570336 Energy: 0.19402943084458743 Energy: 0.20847315075743908 Energy: 0.20847315075468148 Energy: 0.19479786270367766 Energy: 0.19975315025724466 Energy: 0.19975315025954263 Energy: 0.2467676351034956 Energy: 0.20049133645150763 Energy: 0.20049133645104805 Energy: 0.19402993834309046 Energy: 0.19974647486602873 Energy: 0.19974647486419034 Energy: 0.29097279073116944 Energy: 0.20410348311716717 Energy: 0.20410348311762677 Energy: 0.3014187582467266 Energy: 0.19974186627441579 Energy: 0.1997418662734966 Energy: 0.19974446926561176 Energy: 0.19475134213095752 Energy: 0.19475134213049794 Energy: 0.1955097024498476 Energy: 0.1997425515342811 Energy: 0.1997425515333619 minimum gb energy = 0.19402943084458743 eV minimum distance = 2.59134573691699 Angstroms sigma value = 113 ======================================== theta = 83.2670786731404 ======================================== Energy: 0.3287760798381502 Energy: 0.19711173429444692 Energy: 0.19711173429566411 Energy: 0.35463680948208215 Energy: 0.18854677155786811 Energy: 0.18854677155827385 Energy: 0.18582567742325096 Energy: 0.19452724601989962 Energy: 0.19452724601989962 Energy: 0.18582883033311928 Energy: 0.19452043984753203 Energy: 0.19452043984793776 Energy: 0.18529032883512284 Energy: 0.19452511686797802 Energy: 0.19452511686838378 Energy: 0.18770590386667918 Energy: 0.18854203698053937 Energy: 0.18854203698013364 Energy: 0.3217921813767064 Energy: 0.19140573000353603 Energy: 0.19140573000394176 Energy: 0.35989594916463175 Energy: 0.19452071806783428 Energy: 0.19452071806661705 Energy: 0.2727843602402265 Energy: 0.19452716413934534 Energy: 0.19452716413772242 Energy: 0.23921305283560473 Energy: 0.18848148217101826 Energy: 0.18848148217101826 minimum gb energy = 0.18529032883512284 eV minimum distance = 2.59481858972234 Angstroms sigma value = 145 ======================================== theta = 83.97442499163331 ======================================== Energy: 0.3477129731188182 Energy: 0.1894596052153186 Energy: 0.18945960520878194 Energy: 0.30078016271824204 Energy: 0.18384419699576113 Energy: 0.18384419699612425 Energy: 0.17791283711313582 Energy: 0.1839178132321273 Energy: 0.18391781323176415 Energy: 0.17999333371215095 Energy: 0.18380373938579675 Energy: 0.18380373939887 Energy: 0.17750985686744866 Energy: 0.1901407903470135 Energy: 0.19014079034737666 Energy: 0.22637281105401766 Energy: 0.2229299882455911 Energy: 0.22292998824522797 Energy: 0.18381287365147086 Energy: 0.18391212770787016 Energy: 0.1839121277089596 Energy: 0.33872942728025046 Energy: 0.18694364672530547 Energy: 0.18694364672421604 Energy: 0.36627153816385943 Energy: 0.17955120433905528 Energy: 0.17955120433869212 Energy: 0.17999246949797076 Energy: 0.19014285117415114 Energy: 0.19014285117487742 minimum gb energy = 0.17750985686744866 eV minimum distance = 2.59835256194711 Angstroms sigma value = 181 ======================================== theta = 84.54737801218748 ======================================== Energy: 0.3486817130088182 Energy: 0.18482258140778657 Energy: 0.18482258140942975 Energy: 0.2639516372643038 Energy: 0.18313151139094952 Energy: 0.18313151139584927 Energy: 0.1732719435868141 Energy: 0.18655035730559125 Energy: 0.1865503573082204 Energy: 0.17258582780626736 Energy: 0.177664886282881 Energy: 0.17766488628616742 Energy: 0.17258759090625841 Energy: 0.18013894839912192 Energy: 0.1801389483925789 Energy: 0.17325413209076204 Energy: 0.1831351899356123 Energy: 0.1831351899323259 Energy: 0.2616063862579761 Energy: 0.18006395691264357 Energy: 0.18006395691297222 Energy: 0.36829956553803916 Energy: 0.18004538330921271 Energy: 0.1800453832602448 Energy: 0.261606754716086 Energy: 0.1801352836234307 Energy: 0.18013528362178746 Energy: 0.18889819704155456 Energy: 0.18006318058883003 Energy: 0.18006318058685816 minimum gb energy = 0.17258582780626736 eV minimum distance = 2.59757331132382 Angstroms sigma value = 55 ======================================== theta = 85.02089415600169 ======================================== Energy: 0.31128190575765163 Energy: 0.17573662909408347 Energy: 0.17573662909228274 Energy: 0.23412729742912447 Energy: 0.17438864384984784 Energy: 0.1743886438480471 Energy: 0.25026718936617526 Energy: 0.16847853437031457 Energy: 0.16847853437331575 Energy: 0.1655310842844209 Energy: 0.17687548378485277 Energy: 0.17687548378455262 Energy: 0.16871573365807851 Energy: 0.17225924533810127 Energy: 0.17225924534797807 Energy: 0.16621597694357268 Energy: 0.17204305359384403 Energy: 0.17204305359831856 Energy: 0.3373752316391721 Energy: 0.1672538459829189 Energy: 0.1672538459829189 Energy: 0.3606072022806718 Energy: 0.1768785591056976 Energy: 0.176878559106598 Energy: 0.23443998698766477 Energy: 0.1701674915601954 Energy: 0.17016749151700508 Energy: 0.16621470291945636 Energy: 0.17680684693309442 Energy: 0.17680684693309442 minimum gb energy = 0.1655310842844209 eV minimum distance = 2.60055374065969 Angstroms sigma value = 265 ======================================== theta = 85.41877991472295 ======================================== Energy: 0.3582615988149376 Energy: 0.17209782234667673 Energy: 0.1720978223568693 Energy: 0.3474945506502654 Energy: 0.16406019243135195 Energy: 0.16406019242914271 Energy: 0.16293573854855853 Energy: 0.16735112899167098 Energy: 0.16735112899167098 Energy: 0.16119424256768036 Energy: 0.1692462665361696 Energy: 0.16924626653752523 Energy: 0.16293700518066576 Energy: 0.16735568916513027 Energy: 0.16735568916457796 Energy: 0.1612414245278542 Energy: 0.16929445021842163 Energy: 0.16929445021731704 Energy: 0.222940100521493 Energy: 0.17156392025562536 Energy: 0.17156392032601914 Energy: 0.3434021497337164 Energy: 0.16924788011701822 Energy: 0.16924788011480899 Energy: 0.2812116236910959 Energy: 0.17150463407737937 Energy: 0.17150463407682706 Energy: 0.16181580108661017 Energy: 0.16924798722632 Energy: 0.16924798722546647 minimum gb energy = 0.16119424256768036 eV minimum distance = 2.59976536028925 Angstroms sigma value = 39 ======================================== theta = 85.7578072066771 ======================================== Energy: 0.34121650971391954 Energy: 0.1667127954848335 Energy: 0.16671279548739074 Energy: 0.21605946456002403 Energy: 0.16488591200762232 Energy: 0.16488591200762232 Energy: 0.19002035891960337 Energy: 0.16311673940420765 Energy: 0.16311673940420765 Energy: 0.1583803001389675 Energy: 0.16310149470265836 Energy: 0.16310149470010107 Energy: 0.1567905253714861 Energy: 0.16679867821020825 Energy: 0.16679867822299455 Energy: 0.1580803304690193 Energy: 0.19875182589475324 Energy: 0.1987518258973105 Energy: 0.21616981615500405 Energy: 0.16309907903200274 Energy: 0.16309907902944545 Energy: 0.3755846607366949 Energy: 0.16309841279859813 Energy: 0.16309841279604087 Energy: 0.331986254564981 Energy: 0.15896372436697478 Energy: 0.15896372436697478 Energy: 0.21086072076941975 Energy: 0.16309686844945742 Energy: 0.16309686844690013 minimum gb energy = 0.1567905253714861 eV minimum distance = 2.60687825339446 Angstroms sigma value = 91 ======================================== theta = 86.05013197823605 ======================================== Energy: 0.3266679649106153 Energy: 0.163800458862487 Energy: 0.16380045911237412 Energy: 0.21023517185805587 Energy: 0.16102545696039877 Energy: 0.16102545696277984 Energy: 0.15382754935496903 Energy: 0.1628182260544664 Energy: 0.1628182260520853 Energy: 0.15294627795174665 Energy: 0.16470960954103164 Energy: 0.16470960954103164 Energy: 0.15256473267228166 Energy: 0.16102534372918736 Energy: 0.16102534372918736 Energy: 0.27976576120653257 Energy: 0.15567837220391098 Energy: 0.15567837220152986 Energy: 0.3041731322229207 Energy: 0.15794664933073504 Energy: 0.15794664931406724 Energy: 0.3593563457027551 Energy: 0.162814035756609 Energy: 0.162814035756609 Energy: 0.25805320495401274 Energy: 0.1647071810662615 Energy: 0.16470718106864263 Energy: 0.15568432888265493 Energy: 0.1908785147636757 Energy: 0.1908785147636757 minimum gb energy = 0.15256473267228166 eV minimum distance = 2.6071137317952 Angstroms sigma value = 105 ======================================== theta = 90.0 ======================================== Energy: 0.012550342608041812 Energy: 0.013115522873048124 Energy: 0.013115522872361117 Energy: 0.012911346413690364 Energy: 0.12933498991348313 Energy: 0.1293349899124428 Energy: 0.012977771739747037 Energy: 0.1293349899089881 Energy: 0.12933498990967512 Energy: 0.012863593539838555 Energy: 0.12933498993315118 Energy: 0.12933498993315118 Energy: 0.012913326056833305 Energy: 0.1293349899290095 Energy: 0.1293349899238275 Energy: 0.012973876143758957 Energy: 0.12933498991312978 Energy: 0.1293349899141701 Energy: 0.013001546494665303 Energy: 0.12933498991658446 Energy: 0.12933498990726078 Energy: 0.01303866443557516 Energy: 0.013045373655322604 Energy: 0.013045373656009612 Energy: 0.012958674464687096 Energy: 0.12933498990932182 Energy: 0.1293349899321305 Energy: 0.012991467698293869 Energy: 0.12933498990932182 Energy: 0.1293349899089881 minimum gb energy = 0.012550342608041812 eV minimum distance = 2.83876953162236 Angstroms sigma value = 1