Model name: model_name=MEAM_LAMMPS_KimKimLee_2009_AlMg__MO_058537087384_000 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=4.044650822877884 cohesive_energy=3.360264252923233 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: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.0103830875992747 Energy: 0.5018813544779059 Energy: 0.0103830875992747 Energy: 0.5018813544779059 Energy: 0.0103830875992747 Energy: 0.5018813544776833 Energy: 0.5018813544779059 Energy: 0.7164549703381147 Energy: 0.5018813544779059 Energy: 0.7164549703383651 Energy: 0.5018813544779059 Energy: 0.7164549703381147 Energy: 0.0103830875992747 Energy: 0.5018813544779059 Energy: 0.0103830875992747 Energy: 0.5018813544779059 Energy: 0.0103830875992747 Energy: 0.5018813544779059 Energy: 0.5018813544779059 Energy: 0.7164549703381147 Energy: 0.5018813544779059 Energy: 0.7164549703383651 Energy: 0.5018813544779059 Energy: 0.7164549703381147 Energy: 0.0103830875992747 Energy: 0.5018813544781565 Energy: 0.0103830875992747 Energy: 0.5018813544776833 Energy: 0.0103830875992747 Energy: 0.5018813544779059 Energy: 0.5018813544776833 Energy: 0.7164549703383651 Energy: 0.5018813544776833 Energy: 0.7164549703381147 Energy: 0.5018813544779059 Energy: 0.7164549703381147 minimum gb energy = 0.0103830875992747 eV minimum distance = 2.60756611051246 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 0.6478045099049247 Energy: 0.5966788399365625 Energy: 0.6478045099043216 Energy: 0.5966788399371655 Energy: 0.6478045099049247 Energy: 0.5966788399371655 Energy: 0.681087429354707 Energy: 0.5595974383043606 Energy: 0.681087429354104 Energy: 0.5595974383037576 Energy: 0.6810874293535009 Energy: 0.5595974383037576 Energy: 0.637509051386493 Energy: 0.6154510737768382 Energy: 0.637509051386493 Energy: 0.6154510737665867 Energy: 0.637509051386493 Energy: 0.6154510737038987 Energy: 0.6085423700357079 Energy: 0.5889567309490444 Energy: 0.6085376948453542 Energy: 0.5889567309484414 Energy: 0.608507903173619 Energy: 0.5889567309484414 Energy: 0.6183729733254169 Energy: 0.6372037742654475 Energy: 0.6183729733254169 Energy: 0.6372037741919051 Energy: 0.6183729733254169 Energy: 0.637203774122584 Energy: 0.659350215951823 Energy: 0.584674725166827 Energy: 0.659350215951823 Energy: 0.58467472516743 Energy: 0.659350215951823 Energy: 0.584674725166827 Energy: 0.5828122731636886 Energy: 0.6487912716546265 Energy: 0.5828122731624825 Energy: 0.6487912716546265 Energy: 0.5828122731630855 Energy: 0.6487912716546265 Energy: 0.5989358539536889 Energy: 0.6762885904342663 Energy: 0.598935853954292 Energy: 0.6762885904342663 Energy: 0.5989358539536889 Energy: 0.6762885904342663 Energy: 0.651459526356841 Energy: 0.6419428078903019 Energy: 0.651459526356841 Energy: 0.6419428078903019 Energy: 0.6514595263562379 Energy: 0.6419428078903019 Energy: 0.5558301457270919 Energy: 0.6607038441753644 Energy: 0.5558301457270919 Energy: 0.6607038379572582 Energy: 0.5558301457270919 Energy: 0.6607038286903606 Energy: 0.644787931556369 Energy: 0.5809429645994232 Energy: 0.644787931556369 Energy: 0.5809429645994232 Energy: 0.6447879315557661 Energy: 0.5809429645994232 Energy: 0.5384054912525287 Energy: 0.6636855403898173 Energy: 0.5384054912525287 Energy: 0.6636855403892143 Energy: 0.5384054912525287 Energy: 0.6636855403886113 Energy: 0.6546809457683902 Energy: 0.5341390511588321 Energy: 0.6546809457683902 Energy: 0.5341390511588321 Energy: 0.6546809457689934 Energy: 0.5341390511588321 Energy: 0.587472969082364 Energy: 0.5961213163379298 Energy: 0.5874729690817609 Energy: 0.5961213163385327 Energy: 0.587472969082364 Energy: 0.5961213163391359 Energy: 0.6910580614411386 Energy: 0.5617321027445291 Energy: 0.6910580614411386 Energy: 0.561732102745132 Energy: 0.6910580614405355 Energy: 0.561732102745132 Energy: 0.6921027963683616 Energy: 0.6374958917914088 Energy: 0.6921027963683616 Energy: 0.6374958917914088 Energy: 0.6921027963683616 Energy: 0.6374958917914088 Energy: 0.6438682178846172 Energy: 0.6169043094470656 Energy: 0.6438682178852203 Energy: 0.6169043094470656 Energy: 0.6438682178852203 Energy: 0.6169043094464626 Energy: 0.646319584616971 Energy: 0.6002394922014253 Energy: 0.6463195846175741 Energy: 0.6002394922014253 Energy: 0.6463195846175741 Energy: 0.6002394922014253 Energy: 0.6237154085812991 Energy: 0.5977372280435935 Energy: 0.6237154085812991 Energy: 0.5977372280441967 Energy: 0.6237154085819023 Energy: 0.5977372280441967 Energy: 0.6251523150993458 Energy: 0.5845685961110997 Energy: 0.6251523150999488 Energy: 0.5845685961110997 Energy: 0.6251523150981396 Energy: 0.5845685961110997 Energy: 0.5629165938804732 Energy: 0.6583857898906548 Energy: 0.5629165938798701 Energy: 0.6583857898906548 Energy: 0.5629165938804732 Energy: 0.6583857898900516 Energy: 0.6461594690763823 Energy: 0.6389910088174148 Energy: 0.6461594690763823 Energy: 0.6389910088180177 Energy: 0.6461594690763823 Energy: 0.6389910088180177 Energy: 0.5602488102291684 Energy: 0.6658493778705928 Energy: 0.5602488102291684 Energy: 0.6658493778699897 Energy: 0.5602488102291684 Energy: 0.6658493778693868 minimum gb energy = 0.5341390511588321 eV minimum distance = 2.55627063662988 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 0.6614019690636151 Energy: 0.6543071034741051 Energy: 0.6406419054946205 Energy: 0.6543071034741051 Energy: 0.6614019690632722 Energy: 0.6543071034747912 Energy: 0.6239432626723938 Energy: 0.5908152197683607 Energy: 0.6239432626710217 Energy: 0.5908152197669887 Energy: 0.6239432626723938 Energy: 0.5908152197673318 Energy: 0.545416707289855 Energy: 0.5908501830318856 Energy: 0.5454167072888262 Energy: 0.5908501830315426 Energy: 0.545416707289855 Energy: 0.5908501830305136 Energy: 0.6664470421008182 Energy: 0.6773207858886644 Energy: 0.6664470420997892 Energy: 0.6773207858883215 Energy: 0.6664470421008182 Energy: 0.6773207858910654 Energy: 0.6026390776042987 Energy: 0.6238143001012204 Energy: 0.6026390776046416 Energy: 0.6238143001012204 Energy: 0.6026390776039557 Energy: 0.6238143001008775 Energy: 0.5981719444149339 Energy: 0.5500403103542412 Energy: 0.5981719444169918 Energy: 0.5500403103542412 Energy: 0.598171944414591 Energy: 0.5500403103542412 Energy: 0.6566952352649861 Energy: 0.6454750733567072 Energy: 0.6566952352649861 Energy: 0.6454750733567072 Energy: 0.6566952352649861 Energy: 0.6454750733573932 Energy: 0.5326420521752977 Energy: 0.6655930398897593 Energy: 0.5326420521749547 Energy: 0.6655930398897593 Energy: 0.5326420521756406 Energy: 0.6655930398897593 Energy: 0.5522932637874984 Energy: 0.5468988605394153 Energy: 0.5522932637874984 Energy: 0.5468988605390723 Energy: 0.5522932637874984 Energy: 0.5468988605394153 Energy: 0.5475364529995351 Energy: 0.6739170469041305 Energy: 0.5475358410232424 Energy: 0.6739170469041305 Energy: 0.5475364529991922 Energy: 0.6739170469051595 Energy: 0.6808920662511018 Energy: 0.5456064388354642 Energy: 0.6808920662507588 Energy: 0.5456064388354642 Energy: 0.6808920662504158 Energy: 0.5456064388344352 Energy: 0.5457390886881163 Energy: 0.5686269847565363 Energy: 0.5457389920123291 Energy: 0.5686269847565363 Energy: 0.5457390886881163 Energy: 0.5686269847561932 Energy: 0.645619041890042 Energy: 0.543189820865404 Energy: 0.6456190418893559 Energy: 0.543189820865747 Energy: 0.6456190418893559 Energy: 0.543189820865061 Energy: 0.6448617536685362 Energy: 0.6562544595079659 Energy: 0.6448617536678501 Energy: 0.6562544595079659 Energy: 0.6448617536681932 Energy: 0.656254459508995 Energy: 0.6146087102993258 Energy: 0.5911052538359216 Energy: 0.6146087102979539 Energy: 0.5911052538359216 Energy: 0.6146087103000119 Energy: 0.5911052538348927 Energy: 0.5448605095005583 Energy: 0.5931486283774833 Energy: 0.5448605095005583 Energy: 0.5931486283778262 Energy: 0.5448605095002154 Energy: 0.5931486283757682 Energy: 0.6925080598902826 Energy: 0.6468182945233498 Energy: 0.6925080598889105 Energy: 0.6468182945230068 Energy: 0.6925080598899396 Energy: 0.6468182945216349 Energy: 0.6087736678242873 Energy: 0.5498218390180519 Energy: 0.6087736678249733 Energy: 0.5498218390180519 Energy: 0.6087736678249733 Energy: 0.5498218390180519 Energy: 0.5967060740270766 Energy: 0.5935641900675205 Energy: 0.5967060740274197 Energy: 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0.5934731085251054 Energy: 0.5980680184041599 Energy: 0.5934731085278493 Energy: 0.5980680184041599 Energy: 0.5934731085261343 Energy: 0.5980680184045029 Energy: 0.6447515513701673 Energy: 0.6547636624880137 Energy: 0.6447515513705103 Energy: 0.6547636624883566 Energy: 0.6447515513705103 Energy: 0.6547636624883566 Energy: 0.6624546968558176 Energy: 0.5315147755824803 Energy: 0.6624546968551317 Energy: 0.5315147755828233 Energy: 0.6624546968571897 Energy: 0.5315147755824803 Energy: 0.5457701972191272 Energy: 0.5504375170028578 Energy: 0.5457701972180983 Energy: 0.5504375170025149 Energy: 0.5457701972191272 Energy: 0.5504375170032008 minimum gb energy = 0.5310046206886199 eV minimum distance = 2.65247755201717 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 0.6217063447219531 Energy: 0.62398665201658 Energy: 0.6217063447219531 Energy: 0.6239866520173748 Energy: 0.6217063447219531 Energy: 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0.5722466307372464 Energy: 0.6049110800671462 Energy: 0.5722466307372464 Energy: 0.6049110800671462 Energy: 0.5722466307364517 Energy: 0.6049110800671462 Energy: 0.6930936774901887 Energy: 0.5603776723123146 Energy: 0.6930936774901887 Energy: 0.5603776723123146 Energy: 0.6930936774901887 Energy: 0.5603776723115198 Energy: 0.5657091255882385 Energy: 0.7017084240126438 Energy: 0.5657091255890332 Energy: 0.7017084240126438 Energy: 0.5657091255890332 Energy: 0.7017084240126438 Energy: 0.6809646724671912 Energy: 0.5510743629929314 Energy: 0.680964672467986 Energy: 0.5510743629929314 Energy: 0.6809646724671912 Energy: 0.5510743629929314 Energy: 0.6234926824121059 Energy: 0.6241126619027854 Energy: 0.6234926824121059 Energy: 0.6241126619027854 Energy: 0.6234926824121059 Energy: 0.6241126619027854 Energy: 0.6446294854808993 Energy: 0.5928621111228477 Energy: 0.6446294854816941 Energy: 0.5928621111228477 Energy: 0.6446294854816941 Energy: 0.5928621111228477 Energy: 0.6029251177764144 Energy: 0.5770722296187019 Energy: 0.6029251177764144 Energy: 0.5770722296187019 Energy: 0.6029251177764144 Energy: 0.5770722296187019 Energy: 0.6293006121245942 Energy: 0.6181299408806832 Energy: 0.6293006121253889 Energy: 0.6181299408806832 Energy: 0.6293006121245942 Energy: 0.6181299408806832 Energy: 0.6397453546469455 Energy: 0.604982025209518 Energy: 0.6397453546469455 Energy: 0.604982025209518 Energy: 0.6397453546469455 Energy: 0.604982025209518 Energy: 0.6384603606584697 Energy: 0.672805134480842 Energy: 0.6384603606584697 Energy: 0.672805134480842 Energy: 0.6384603606584697 Energy: 0.6728051344800472 Energy: 0.618292635108182 Energy: 0.6067496265581456 Energy: 0.6182926351073872 Energy: 0.6067496265581456 Energy: 0.6182926351073872 Energy: 0.6067496265581456 minimum gb energy = 0.5510743629929314 eV minimum distance = 2.55842633641784 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 0.5167607236347184 Energy: 0.5308728902218105 Energy: 0.5167607236347184 Energy: 0.5308728902227533 Energy: 0.5167607236356613 Energy: 0.5308728902227533 Energy: 0.6267177332472942 Energy: 0.6319833177222332 Energy: 0.6267177332477655 Energy: 0.6319833177217616 Energy: 0.6267177332477655 Energy: 0.6319833177222332 Energy: 0.5098201326662941 Energy: 0.6310221064015915 Energy: 0.5098201326658228 Energy: 0.6310221064015915 Energy: 0.5098201326648799 Energy: 0.6310221064015915 Energy: 0.5375647480555015 Energy: 0.5097413652367618 Energy: 0.5375647480545588 Energy: 0.5097413652362904 Energy: 0.5375647480550301 Energy: 0.5097413652362904 Energy: 0.5098622152435521 Energy: 0.5168671803989013 Energy: 0.5098622152426093 Energy: 0.5168671803984299 Energy: 0.5098622152421378 Energy: 0.5168671803989013 Energy: 0.5098257304621338 Energy: 0.5169158433908975 Energy: 0.5098257304630766 Energy: 0.5169158433904261 Energy: 0.5098257304626052 Energy: 0.5169158433908975 Energy: 0.5375766681179414 Energy: 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0.5375647480555015 Energy: 0.5097413652362904 Energy: 0.5375647480550301 Energy: 0.5097413652367618 Energy: 0.5098622152435521 Energy: 0.5168671803984299 Energy: 0.5098622152430807 Energy: 0.5168671803989013 Energy: 0.5098622152426093 Energy: 0.5168671803998441 Energy: 0.509825730463548 Energy: 0.516915843391369 Energy: 0.5098257304630766 Energy: 0.516915843391369 Energy: 0.5098257304630766 Energy: 0.516915843391369 Energy: 0.5375766681184128 Energy: 0.5097402052202101 Energy: 0.5375766681179414 Energy: 0.5097402052202101 Energy: 0.5375766681184128 Energy: 0.5097402052202101 Energy: 0.5098221738395573 Energy: 0.6309779351361714 Energy: 0.5098221738400287 Energy: 0.6309779351352286 Energy: 0.5098221738390859 Energy: 0.6309779351361714 Energy: 0.6267065376654075 Energy: 0.6319853693274482 Energy: 0.6267065376658789 Energy: 0.6319853693274482 Energy: 0.6267065376658789 Energy: 0.6319853693274482 Energy: 0.516760723634247 Energy: 0.5308728902232248 Energy: 0.5167607236347184 Energy: 0.5308728902218105 Energy: 0.516760723634247 Energy: 0.5308728902222819 Energy: 0.6267177332487084 Energy: 0.6319833177222332 Energy: 0.6267177332487084 Energy: 0.6319833177217616 Energy: 0.6267177332477655 Energy: 0.6319833177222332 Energy: 0.5098201326653513 Energy: 0.6310221064015915 Energy: 0.5098201326662941 Energy: 0.6310221064015915 Energy: 0.5098201326662941 Energy: 0.6310221064015915 Energy: 0.5375647480550301 Energy: 0.5097413652362904 Energy: 0.5375647480550301 Energy: 0.5097413652362904 Energy: 0.5375647480555015 Energy: 0.5097413652362904 Energy: 0.5098622152440236 Energy: 0.5168671803993728 Energy: 0.5098622152435521 Energy: 0.5168671803998441 Energy: 0.5098622152421378 Energy: 0.5168671804003155 Energy: 0.5098257304626052 Energy: 0.5169158433904261 Energy: 0.5098257304630766 Energy: 0.516915843391369 Energy: 0.5098257304630766 Energy: 0.516915843391369 Energy: 0.5375766681184128 Energy: 0.5097402052202101 Energy: 0.5375766681184128 Energy: 0.5097402052202101 Energy: 0.5375766681188842 Energy: 0.5097402052202101 Energy: 0.5098221738400287 Energy: 0.6309779351352286 Energy: 0.5098221738395573 Energy: 0.6309779351357 Energy: 0.5098221738400287 Energy: 0.6309779351352286 Energy: 0.6267065376649361 Energy: 0.6319853693274482 Energy: 0.6267065376649361 Energy: 0.6319853693274482 Energy: 0.6267065376649361 Energy: 0.6319853693269768 Energy: 0.516760723634247 Energy: 0.5308728902227533 Energy: 0.516760723634247 Energy: 0.5308728902227533 Energy: 0.516760723634247 Energy: 0.5308728902222819 Energy: 0.6267177332487084 Energy: 0.6319833177222332 Energy: 0.6267177332482369 Energy: 0.6319833177217616 Energy: 0.6267177332477655 Energy: 0.6319833177217616 Energy: 0.5098201326662941 Energy: 0.6310221064011201 Energy: 0.5098201326658228 Energy: 0.6310221064015915 Energy: 0.5098201326667656 Energy: 0.6310221064020629 minimum gb energy = 0.5097402052197388 eV minimum distance = 2.56393043867635 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 0.5281110183606537 Energy: 0.5112875769321172 Energy: 0.5281110183606537 Energy: 0.5112875769321172 Energy: 0.5281110183606537 Energy: 0.5112875769321172 Energy: 0.626225872956152 Energy: 0.5241661965614101 Energy: 0.6262258729573066 Energy: 0.5241661965614101 Energy: 0.6262258729549972 Energy: 0.5241661965614101 Energy: 0.5105545227502424 Energy: 0.571624767589531 Energy: 0.5105545227502424 Energy: 0.571624767589531 Energy: 0.5105545227502424 Energy: 0.5716247675906856 Energy: 0.6357981762440751 Energy: 0.5057103372965134 Energy: 0.6357981762440751 Energy: 0.5057103372965134 Energy: 0.6357981762440751 Energy: 0.5057103372965134 Energy: 0.6379035238368759 Energy: 0.5037836567448946 Energy: 0.6379035238368759 Energy: 0.5037836567460493 Energy: 0.6379035238368759 Energy: 0.5037836567448946 Energy: 0.6077889243799532 Energy: 0.6255802038028155 Energy: 0.6077889243799532 Energy: 0.6255802038039702 Energy: 0.6077889243799532 Energy: 0.6255802038039702 Energy: 0.5302693939560297 Energy: 0.5245974611899931 Energy: 0.5302693939560297 Energy: 0.5245974611899931 Energy: 0.5647825639245824 Energy: 0.5245974611911478 Energy: 0.5301212389361422 Energy: 0.5130732992211112 Energy: 0.5301212389361422 Energy: 0.5130732992211112 Energy: 0.5301212389372969 Energy: 0.5130732992211112 Energy: 0.6256570421917724 Energy: 0.5308810572832003 Energy: 0.6256570421906178 Energy: 0.5308810572832003 Energy: 0.6256570421917724 Energy: 0.5308810572832003 Energy: 0.5605867392654992 Energy: 0.5970544086836016 Energy: 0.5605867392654992 Energy: 0.5970544086766734 Energy: 0.5605867392666538 Energy: 0.5970544086501147 Energy: 0.5325944138044881 Energy: 0.5032280738288988 Energy: 0.5325944138044881 Energy: 0.5032280738288988 Energy: 0.5798141266344795 Energy: 0.5032280738288988 Energy: 0.6170242310721642 Energy: 0.579576769392116 Energy: 0.6170242310721642 Energy: 0.5795767693782593 Energy: 0.6170242310721642 Energy: 0.5795767693574745 minimum gb energy = 0.5032280738288988 eV minimum distance = 2.54716233302423 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 0.5436198689887254 Energy: 0.5128446634966537 Energy: 0.5436198689887254 Energy: 0.5128446634969782 Energy: 0.543619868988401 Energy: 0.5128446634969782 Energy: 0.528349767068174 Energy: 0.5175517171417451 Energy: 0.5283497670684985 Energy: 0.5175517171414207 Energy: 0.5283497670665519 Energy: 0.5254202245245211 Energy: 0.4787187314663124 Energy: 0.6248604659213218 Energy: 0.4787187314663124 Energy: 0.6248604659209973 Energy: 0.4787187314659879 Energy: 0.6248604659213218 Energy: 0.47836997875311205 Energy: 0.47534895131799937 Energy: 0.4783699787527876 Energy: 0.4753489513186483 Energy: 0.47836997875311205 Energy: 0.47534895131832383 Energy: 0.5224562039762506 Energy: 0.49923322553364263 Energy: 0.5224562039762506 Energy: 0.49923322553364263 Energy: 0.5224562039759262 Energy: 0.49923322553396704 Energy: 0.5255201911435163 Energy: 0.5385676931655199 Energy: 0.5255201911431919 Energy: 0.5385676931664932 Energy: 0.5255201911444897 Energy: 0.5343504744699272 Energy: 0.5026700799568087 Energy: 0.5380603750701496 Energy: 0.5026700799558353 Energy: 0.5380603750701496 Energy: 0.5026700799555108 Energy: 0.5380603750704446 Energy: 0.4620473246424084 Energy: 0.5356281618300387 Energy: 0.4620473246424084 Energy: 0.5356281618297143 Energy: 0.4620473246424084 Energy: 0.5356281618300387 Energy: 0.5955340276363422 Energy: 0.49947756118583103 Energy: 0.5955340276360177 Energy: 0.49947756118583103 Energy: 0.5955340276363422 Energy: 0.49947756118615555 Energy: 0.5220541457725852 Energy: 0.6293727346208298 Energy: 0.5220541457722608 Energy: 0.6293727346205052 Energy: 0.5220541457722608 Energy: 0.6293727346205052 Energy: 0.47967906597336873 Energy: 0.47283758687017063 Energy: 0.47967906597336873 Energy: 0.47283758687049504 Energy: 0.47967906597369314 Energy: 0.47283758687017063 Energy: 0.4990930308927034 Energy: 0.5091110043367257 Energy: 0.49909303089335233 Energy: 0.5091110043373747 Energy: 0.4990930308930278 Energy: 0.5091110043380236 Energy: 0.516312792045103 Energy: 0.5322509835755002 Energy: 0.5163127920395874 Energy: 0.5322509835758247 Energy: 0.5163127920363428 Energy: 0.5322509835764736 Energy: 0.5523337151808044 Energy: 0.5518336456821268 Energy: 0.5523337151798311 Energy: 0.5518336456824512 Energy: 0.5523337151804799 Energy: 0.5518336456824512 Energy: 0.4738394781451589 Energy: 0.522084682405103 Energy: 0.47383947814548333 Energy: 0.5220846824054274 Energy: 0.4738394781451589 Energy: 0.522084682405103 Energy: 0.4940297601273614 Energy: 0.520150812628899 Energy: 0.494029760126388 Energy: 0.520150812628899 Energy: 0.4940297601270369 Energy: 0.5201508126272767 Energy: 0.6189048720684316 Energy: 0.473234708973074 Energy: 0.6189048720690805 Energy: 0.47323470897177616 Energy: 0.6189048720687561 Energy: 0.47323470897015396 Energy: 0.4786579193900674 Energy: 0.4988238003493157 Energy: 0.47865791939039176 Energy: 0.4988238003493157 Energy: 0.47865791939039176 Energy: 0.4988238003493157 Energy: 0.4648015308208893 Energy: 0.6136224497349141 Energy: 0.46480153082056486 Energy: 0.6136224497349141 Energy: 0.464801530819916 Energy: 0.6136224497349141 Energy: 0.6147600661900263 Energy: 0.48816661364818037 Energy: 0.6147600661903507 Energy: 0.48816661364850483 Energy: 0.6147600661900263 Energy: 0.4881666136488293 Energy: 0.4648041017768579 Energy: 0.6129208815735135 Energy: 0.4648041017765335 Energy: 0.6129208815738381 Energy: 0.4648041017771824 Energy: 0.6129208815731891 Energy: 0.4788507594269986 Energy: 0.4988087932692609 Energy: 0.4788507594269986 Energy: 0.4988087932689365 Energy: 0.4788507594269986 Energy: 0.4988087932692609 Energy: 0.6189189083422957 Energy: 0.4732031777030343 Energy: 0.6189189083419713 Energy: 0.47320317770335873 Energy: 0.6189189083426202 Energy: 0.4732031777030343 Energy: 0.4939886931571244 Energy: 0.502992074399613 Energy: 0.4939886931568 Energy: 0.5029920743976664 Energy: 0.49398869315615107 Energy: 0.5029920743931241 Energy: 0.47387343567401924 Energy: 0.5219709226396511 Energy: 0.47387343567401924 Energy: 0.5219709226393267 Energy: 0.47387343567337037 Energy: 0.5219709226390021 Energy: 0.5526158976319026 Energy: 0.5518343832838477 Energy: 0.5526158976322268 Energy: 0.5518343832838477 Energy: 0.5526158976319026 Energy: 0.5518343832838477 Energy: 0.5165124380679949 Energy: 0.5320934015291892 Energy: 0.5165124380644259 Energy: 0.5320934015295137 Energy: 0.5165124380569637 Energy: 0.5320934015298381 Energy: 0.499104229532124 Energy: 0.47713295147802975 Energy: 0.4991042295314752 Energy: 0.47713295147738083 Energy: 0.4991042295311507 Energy: 0.47713295147738083 Energy: 0.479647906781111 Energy: 0.47295187122463894 Energy: 0.479647906781111 Energy: 0.47295187122463894 Energy: 0.4796479067804621 Energy: 0.47295187122496335 Energy: 0.5221814584950486 Energy: 0.5830699577591912 Energy: 0.5221814584960219 Energy: 0.5830699577598402 Energy: 0.5221814584950486 Energy: 0.5830699577595158 Energy: 0.5955148943587605 Energy: 0.4994457410504337 Energy: 0.595514894358436 Energy: 0.4994457410504337 Energy: 0.5955148943587605 Energy: 0.4994457410504337 Energy: 0.46205847593320254 Energy: 0.5356890048554661 Energy: 0.46205847593352706 Energy: 0.5356890048557905 Energy: 0.46205847593352706 Energy: 0.5356890048557905 Energy: 0.5027593430913584 Energy: 0.5380416517814126 Energy: 0.5027593430910339 Energy: 0.5380416517817371 Energy: 0.5027593430920073 Energy: 0.5380416517817371 Energy: 0.5253182914649623 Energy: 0.48412792778039715 Energy: 0.525318291463989 Energy: 0.4841279277797483 Energy: 0.525318291463989 Energy: 0.4841279277800727 Energy: 0.5224810311779593 Energy: 0.4992198675505458 Energy: 0.5224810311776348 Energy: 0.499219867549897 Energy: 0.5224810311773104 Energy: 0.4992198675505458 Energy: 0.47837906032185307 Energy: 0.4752348802567353 Energy: 0.47837906032185307 Energy: 0.4752348802567353 Energy: 0.4783790603212042 Energy: 0.47523488025705973 Energy: 0.4786552883955271 Energy: 0.6250618791788259 Energy: 0.47865528839585153 Energy: 0.6250618791788259 Energy: 0.47865528839520266 Energy: 0.6250618791791503 Energy: 0.5288512404233041 Energy: 0.5254993289117837 Energy: 0.5288512404064623 Energy: 0.5254993289114593 Energy: 0.5288512404067868 Energy: 0.5254993289114593 Energy: 0.5436198689890499 Energy: 0.5128446634969782 Energy: 0.5436198689890499 Energy: 0.5128446634966537 Energy: 0.5436198689893743 Energy: 0.5128446634966537 Energy: 0.5283497670662275 Energy: 0.5198420719088723 Energy: 0.5283497670672008 Energy: 0.5198420719085479 Energy: 0.528349767068174 Energy: 0.5198420719088723 Energy: 0.47871873146663685 Energy: 0.6248604659206729 Energy: 0.47871873146663685 Energy: 0.6248604659203485 Energy: 0.4787187314663124 Energy: 0.6248604659206729 Energy: 0.47836997875343645 Energy: 0.4753489513173505 Energy: 0.47836997875311205 Energy: 0.4753489513173505 Energy: 0.47836997875343645 Energy: 0.4753489513173505 Energy: 0.5224562039762506 Energy: 0.49923322553429145 Energy: 0.5224562039762506 Energy: 0.49923322553461597 Energy: 0.5224562039762506 Energy: 0.49923322553461597 minimum gb energy = 0.4620473246424084 eV minimum distance = 2.63587906342298 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 0.28256963677686386 Energy: 0.2875386751533619 Energy: 0.28256963677686386 Energy: 0.2875386751518848 Energy: 0.2825696367761253 Energy: 0.2875386751533619 Energy: 0.34108898599222326 Energy: 0.2831173905697294 Energy: 0.3410846802072063 Energy: 0.2831173618672414 Energy: 0.3410852857502042 Energy: 0.2831173677037115 Energy: 0.302666025593912 Energy: 0.3276654371387393 Energy: 0.30266602559465056 Energy: 0.32766543638574386 Energy: 0.302666025593912 Energy: 0.3276654316367026 Energy: 0.28914845087041446 Energy: 0.28269363177832557 Energy: 0.2891427339001757 Energy: 0.282693490248919 Energy: 0.2891240205427593 Energy: 0.2826935502996518 Energy: 0.3410415028919746 Energy: 0.3402258427836807 Energy: 0.3410415022622851 Energy: 0.34022584278589635 Energy: 0.3410415023191206 Energy: 0.34022584278441925 Energy: 0.2828323899069381 Energy: 0.3054161534661949 Energy: 0.28283013731804973 Energy: 0.3054161534661949 Energy: 0.2828297985869222 Energy: 0.3054161534654563 Energy: 0.2828333944931459 Energy: 0.3041370804926221 Energy: 0.28283424845414473 Energy: 0.30413597291197814 Energy: 0.2828351493999449 Energy: 0.3041376597973373 Energy: 0.34085554190562956 Energy: 0.34023786471121653 Energy: 0.3408555407813063 Energy: 0.34023786471269357 Energy: 0.340855535453469 Energy: 0.34023786471343215 Energy: 0.2891184110495122 Energy: 0.28269252047110943 Energy: 0.28911900479334324 Energy: 0.2826937551494633 Energy: 0.2891336613389393 Energy: 0.2826894825236401 Energy: 0.30266303318944077 Energy: 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0.3402258427822036 Energy: 0.3410415022320041 Energy: 0.3402258427836807 Energy: 0.34104150199724276 Energy: 0.3402258427822036 Energy: 0.2828299425015418 Energy: 0.3054161534661949 Energy: 0.28283006996470456 Energy: 0.3054161534654563 Energy: 0.28283032518407064 Energy: 0.30541615346471773 Energy: 0.2828340063524093 Energy: 0.3041644613411137 Energy: 0.2828338823574905 Energy: 0.304150250650773 Energy: 0.282833777739666 Energy: 0.3041518514885586 Energy: 0.3408555488376191 Energy: 0.34023786471343215 Energy: 0.3408555433887251 Energy: 0.34023786471269357 Energy: 0.340855537353683 Energy: 0.34023786471269357 minimum gb energy = 0.2825696367761253 eV minimum distance = 2.74610138016998 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 0.49597670998680254 Energy: 0.49926155411065637 Energy: 0.49597670998680254 Energy: 0.4992615541111974 Energy: 0.49597670998680254 Energy: 0.49926155411065637 Energy: 0.5519856814892675 Energy: 0.481549604923583 Energy: 0.5519856814892675 Energy: 0.481549604923583 Energy: 0.5519856814898084 Energy: 0.481549604923583 Energy: 0.5346347880031688 Energy: 0.5964849442006286 Energy: 0.5346347880037098 Energy: 0.5964849442011697 Energy: 0.5346347880031688 Energy: 0.5964849442000877 Energy: 0.5073185751683378 Energy: 0.47289237994396993 Energy: 0.5073185751688788 Energy: 0.47289237994396993 Energy: 0.5073185751683378 Energy: 0.4728923799434289 Energy: 0.4896282907195926 Energy: 0.4361567938011214 Energy: 0.4896282907201336 Energy: 0.4361567938011214 Energy: 0.4896282907195926 Energy: 0.43615679380058037 Energy: 0.4946022915891223 Energy: 0.47142741729029924 Energy: 0.4946022915891223 Energy: 0.47142741728975823 Energy: 0.4946022915891223 Energy: 0.47142741729029924 Energy: 0.48531312631400564 Energy: 0.5002774056580666 Energy: 0.4853131263145467 Energy: 0.5002774056596896 Energy: 0.48531312631400564 Energy: 0.5002774056607715 Energy: 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Energy: 0.5833637936779029 Energy: 0.5128022351175509 Energy: 0.5833637936779029 Energy: 0.5128022351175509 Energy: 0.5833637936784439 Energy: 0.5373318041167243 Energy: 0.4834397891346839 Energy: 0.5373318041172654 Energy: 0.4834397891346839 Energy: 0.5373318041172654 Energy: 0.4834397891352249 Energy: 0.496488597584627 Energy: 0.4955302013525126 Energy: 0.49648859758624997 Energy: 0.4955302013525126 Energy: 0.496488597585168 Energy: 0.4955302013525126 Energy: 0.4563507616061624 Energy: 0.48135023101335767 Energy: 0.45635076160670335 Energy: 0.48135023101335767 Energy: 0.4563507616061624 Energy: 0.48135023101335767 Energy: 0.579491568471694 Energy: 0.5817632877546597 Energy: 0.579491568471694 Energy: 0.5817632877557417 Energy: 0.579491568471694 Energy: 0.5817632877541187 Energy: 0.5053950243754506 Energy: 0.47320159497021885 Energy: 0.5053950243765326 Energy: 0.47320159497075986 Energy: 0.5053950243759916 Energy: 0.47320159497021885 Energy: 0.48164664059659507 Energy: 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Energy: 0.4832255291847275 Energy: 0.44994879274561883 Energy: 0.4832255291847275 Energy: 0.44994879274519245 Energy: 0.4832255291847275 Energy: 0.5385239567003127 Energy: 0.5341021682807094 Energy: 0.53852395669946 Energy: 0.5341021682811358 Energy: 0.5385239567003127 Energy: 0.5341021682807094 Energy: 0.4843133080594247 Energy: 0.5928067247852546 Energy: 0.4843133080594247 Energy: 0.5928067247852546 Energy: 0.4843133080594247 Energy: 0.5928067247852546 Energy: 0.4601294898668809 Energy: 0.4613039431946182 Energy: 0.4601294898664545 Energy: 0.4613039431941919 Energy: 0.4601294898664545 Energy: 0.4613039431946182 Energy: 0.4507658193934117 Energy: 0.46176837306705376 Energy: 0.4507658193929852 Energy: 0.46176837306705376 Energy: 0.4507658193934117 Energy: 0.46176837306705376 Energy: 0.5271284991291738 Energy: 0.5393706733511711 Energy: 0.5271284991291738 Energy: 0.5393706733515975 Energy: 0.5271284991291738 Energy: 0.5393706733511711 Energy: 0.5269118463835187 Energy: 0.538334995791787 Energy: 0.5269118463839452 Energy: 0.5383349957892286 Energy: 0.5269118463835187 Energy: 0.5383349957913607 Energy: 0.4511150880634966 Energy: 0.5162660569870213 Energy: 0.4511150880634966 Energy: 0.5262606624886544 Energy: 0.4511150880630702 Energy: 0.49839748498764763 Energy: 0.46172562271064893 Energy: 0.46264554413846953 Energy: 0.46172562271064893 Energy: 0.46264554413846953 Energy: 0.4617256227110753 Energy: 0.46264554413846953 Energy: 0.4486824163820123 Energy: 0.5281729702470818 Energy: 0.44868241638158596 Energy: 0.5281729702479345 Energy: 0.44868241638158596 Energy: 0.5281729702475081 Energy: 0.5389341544848192 Energy: 0.5345626279744713 Energy: 0.5389341544852457 Energy: 0.5345626279748978 Energy: 0.5389341544848192 Energy: 0.5345626279744713 Energy: 0.45144591962735153 Energy: 0.5482271585782207 Energy: 0.45144591962649866 Energy: 0.5482271585777942 Energy: 0.4514459196269251 Energy: 0.5204890562526903 Energy: 0.4605481617523634 Energy: 0.4627410060980859 Energy: 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Energy: 0.4578672824465502 Energy: 0.5207210544498676 Energy: 0.4578672824465502 Energy: 0.4513117341316312 Energy: 0.5149422860503344 Energy: 0.4513117341312048 Energy: 0.5149422860507608 Energy: 0.4513117341316312 Energy: 0.5149422860503344 Energy: 0.4458320694579435 Energy: 0.5438477776261141 Energy: 0.4458320694583699 Energy: 0.5438477776256877 Energy: 0.4458320694583699 Energy: 0.5438477776261141 Energy: 0.483125226739951 Energy: 0.5462086936733952 Energy: 0.4831252267395247 Energy: 0.5462086936729686 Energy: 0.4831252267395247 Energy: 0.5462086936733952 Energy: 0.46263029881984385 Energy: 0.4569669084856604 Energy: 0.4626302988202703 Energy: 0.4569669084856604 Energy: 0.4626302988202703 Energy: 0.45696690848523397 Energy: 0.45126889733827685 Energy: 0.5076782468082736 Energy: 0.45126889733785036 Energy: 0.5076782468087 Energy: 0.45126889733827685 Energy: 0.5076782468082736 Energy: 0.5300340282320453 Energy: 0.5323455069293004 Energy: 0.5300340282324717 Energy: 0.5323455069293004 Energy: 0.5300340282328982 Energy: 0.5323455069293004 Energy: 0.5707305394356438 Energy: 0.5139171882587948 Energy: 0.5707305394356438 Energy: 0.5139171882583684 Energy: 0.5707305394352173 Energy: 0.5139171882596476 Energy: 0.4471611238365291 Energy: 0.5003344178885286 Energy: 0.4471611238365291 Energy: 0.5003344178885286 Energy: 0.4471611238365291 Energy: 0.5003344178885286 Energy: 0.4608976247290566 Energy: 0.46112293649585884 Energy: 0.4608976247290566 Energy: 0.46112293649585884 Energy: 0.46089762472948304 Energy: 0.46112293649585884 Energy: 0.44541674221500993 Energy: 0.5225081278939022 Energy: 0.44541674221500993 Energy: 0.5225081278943285 Energy: 0.44541674221500993 Energy: 0.5225081278943285 minimum gb energy = 0.44541674221500993 eV minimum distance = 2.63789147443951 Angstroms sigma value = 33 ======================================== theta = 62.439396894736774 ======================================== Energy: 0.5037872886261624 Energy: 0.4809677902207038 Energy: 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Energy: 0.4713046031912418 Energy: 0.5959979668929694 Energy: 0.4713046031918403 Energy: 0.5959979668929694 Energy: 0.47130460319213957 Energy: 0.5959979668926702 Energy: 0.5452479491052474 Energy: 0.5259714549314851 Energy: 0.5452479491061452 Energy: 0.5259714549311859 Energy: 0.5452479491049481 Energy: 0.5259714549305874 Energy: 0.5062881105426239 Energy: 0.4705797003906322 Energy: 0.49087542547711804 Energy: 0.4705797003906322 Energy: 0.5062881105426239 Energy: 0.4705797003921285 Energy: 0.49331615475869445 Energy: 0.6412353846645025 Energy: 0.4933161547574974 Energy: 0.6412353846642033 Energy: 0.49331615475869445 Energy: 0.6412353846659988 Energy: 0.4862992891853554 Energy: 0.6329234555069112 Energy: 0.486299289187151 Energy: 0.6329234370335698 Energy: 0.4862992891850562 Energy: 0.6329234467293963 Energy: 0.535231120389115 Energy: 0.4762482074238876 Energy: 0.5352311203903121 Energy: 0.4762482074238876 Energy: 0.5352311203885165 Energy: 0.4762482074250846 Energy: 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0.476357511537897 Energy: 0.5339262944817768 Energy: 0.47635751153759776 Energy: 0.5339262944820762 Energy: 0.4763575115367 Energy: 0.5010220340201441 Energy: 0.633819967489807 Energy: 0.5010223918238013 Energy: 0.633819967485318 Energy: 0.5010220340198447 Energy: 0.6338199674892084 Energy: 0.4760501678788988 Energy: 0.5500605000133828 Energy: 0.4760501678827891 Energy: 0.5500605000139813 Energy: 0.47605016787859955 Energy: 0.5500605000130836 Energy: 0.49087888274080405 Energy: 0.48353653354320825 Energy: 0.49087888273990626 Energy: 0.48353653354320825 Energy: 0.4908788827402055 Energy: 0.4835365335411134 Energy: 0.5619439685311155 Energy: 0.5110783493291265 Energy: 0.5619439685311155 Energy: 0.5110783493294258 Energy: 0.5619439685311155 Energy: 0.5110783493282288 Energy: 0.4881539657627648 Energy: 0.5883071513904267 Energy: 0.4881539657627648 Energy: 0.5883071513904267 Energy: 0.488153965763064 Energy: 0.5883071513904267 Energy: 0.4611259441671484 Energy: 0.48072766627116315 Energy: 0.4611259441674476 Energy: 0.48072766627116315 Energy: 0.46112594416654984 Energy: 0.4807276662696668 Energy: 0.48275919013962554 Energy: 0.5351161279539969 Energy: 0.4827588559455709 Energy: 0.5351161279542962 Energy: 0.4827591901399248 Energy: 0.5351161279548946 Energy: 0.5670498254915253 Energy: 0.558338026773928 Energy: 0.5670498254894305 Energy: 0.5583380267733294 Energy: 0.567049825492423 Energy: 0.558338026773928 Energy: 0.4776727890510351 Energy: 0.5436514882713857 Energy: 0.4776727890510351 Energy: 0.5436514882713857 Energy: 0.47767278905073585 Energy: 0.5436514882713857 minimum gb energy = 0.46112594416654984 eV minimum distance = 2.64705686923796 Angstroms sigma value = 67 ======================================== theta = 70.52877936550931 ======================================== Energy: 0.4414636441173226 Energy: 0.42836447113436915 Energy: 0.4414636441171181 Energy: 0.42836447113396003 Energy: 0.44146364411791356 Energy: 0.42836447113396003 Energy: 0.4050634012640895 Energy: 0.39196465918497336 Energy: 0.4050634012640895 Energy: 0.3919646591851779 Energy: 0.4050634012642941 Energy: 0.39196465918497336 Energy: 0.5809815161573613 Energy: 0.6313414601705025 Energy: 0.5809815161573613 Energy: 0.6313414601705025 Energy: 0.6147664009393713 Energy: 0.6313414601702979 Energy: 0.40505671104944335 Energy: 0.39195047051882836 Energy: 0.4050567110496479 Energy: 0.39195047051882836 Energy: 0.4050567110496479 Energy: 0.3919504705192147 Energy: 0.44146364411791356 Energy: 0.42836447113296006 Energy: 0.44146364411770894 Energy: 0.4283644711333691 Energy: 0.4414636441183227 Energy: 0.4283644711335737 Energy: 0.4050634012638849 Energy: 0.3919646591847688 Energy: 0.4050634012640895 Energy: 0.39196465918497336 Energy: 0.4050634012642941 Energy: 0.3919646591847688 Energy: 0.3929092284084322 Energy: 0.6313414601700934 Energy: 0.3929092284078412 Energy: 0.6313414601700934 Energy: 0.3929092284082504 Energy: 0.6313414601698888 minimum gb energy = 0.39195047051882836 eV minimum distance = 2.66987055984548 Angstroms sigma value = 3 ======================================== theta = 77.88488253796277 ======================================== Energy: 0.615125270472825 Energy: 0.48975997285574985 Energy: 0.6151252704722806 Energy: 0.48975997285574985 Energy: 0.615125270472825 Energy: 0.48975997285574985 Energy: 0.5204419466843496 Energy: 0.46971223537713597 Energy: 0.5204419466846465 Energy: 0.469712235376839 Energy: 0.5204419466838053 Energy: 0.46971223537629464 Energy: 0.5364739145336596 Energy: 0.5331364298532307 Energy: 0.5364739145320265 Energy: 0.5331364298526863 Energy: 0.5364739145334121 Energy: 0.5331364298534782 Energy: 0.5930860763423265 Energy: 0.49260587985639354 Energy: 0.5930818460751096 Energy: 0.49260587985609666 Energy: 0.5930729878962574 Energy: 0.4894450918153524 Energy: 0.5107994289547205 Energy: 0.5499789959286074 Energy: 0.5107994289544237 Energy: 0.5499789959289044 Energy: 0.5107994289544237 Energy: 0.5499789959291519 Energy: 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Energy: 0.5267942770323775 Energy: 0.4877903197756065 Energy: 0.5267942770323775 Energy: 0.5266993914979079 Energy: 0.5342545515066751 Energy: 0.5266993914975343 Energy: 0.5342545515059279 Energy: 0.5266993914975343 Energy: 0.5342545515063015 Energy: 0.6093543505218205 Energy: 0.5200614354175404 Energy: 0.6093543505214468 Energy: 0.5200614354197816 Energy: 0.6093543505218205 Energy: 0.5200614354201553 Energy: 0.5785102320020006 Energy: 0.5799080208878148 Energy: 0.5785102320023742 Energy: 0.579908020888562 Energy: 0.5785102320023742 Energy: 0.579908020888562 Energy: 0.5247124269141146 Energy: 0.5299577581279935 Energy: 0.5247124269148616 Energy: 0.5299577581276199 Energy: 0.5247124269141146 Energy: 0.5299577581276199 Energy: 0.46849036994992493 Energy: 0.6265253656274498 Energy: 0.46849036994992493 Energy: 0.6265253656270762 Energy: 0.46849036994992493 Energy: 0.6265253656274498 Energy: 0.5091942192500989 Energy: 0.4930003935592149 Energy: 0.5091942192504724 Energy: 0.4930003935588413 Energy: 0.5091942192504724 Energy: 0.49300039355846786 Energy: 0.5383273099451582 Energy: 0.5193352897171621 Energy: 0.5383273099447846 Energy: 0.5193352897167887 Energy: 0.5383273099455317 Energy: 0.5193352897175357 Energy: 0.5246905901282657 Energy: 0.538511125462575 Energy: 0.5246905901286392 Energy: 0.5385111254622014 Energy: 0.5246905901282657 Energy: 0.5385111254622014 Energy: 0.4666848608071907 Energy: 0.4703977795347982 Energy: 0.4666848608112657 Energy: 0.4703977795347982 Energy: 0.4666848608071907 Energy: 0.4703977795347982 Energy: 0.48516171237095657 Energy: 0.4667275484256119 Energy: 0.48516171237058303 Energy: 0.46672754842411773 Energy: 0.4851617123702094 Energy: 0.4667275484256119 Energy: 0.5187185005631064 Energy: 0.579760770615191 Energy: 0.5187185005627328 Energy: 0.5797607706148175 Energy: 0.5187185005623594 Energy: 0.5797607706144439 Energy: 0.5540389904121146 Energy: 0.5418337760498624 Energy: 0.5540389904117411 Energy: 0.5418320566655611 Energy: 0.5540389904121146 Energy: 0.5418330995343984 Energy: 0.5630929505825782 Energy: 0.507399809224557 Energy: 0.5630929505829518 Energy: 0.507399809224557 Energy: 0.5630929505825782 Energy: 0.5073998092241834 Energy: 0.49802483536129055 Energy: 0.6891302578253471 Energy: 0.49802483536129055 Energy: 0.689130257753286 Energy: 0.49802483536129055 Energy: 0.6891302573724355 Energy: 0.5257470630127797 Energy: 0.5305472456231901 Energy: 0.5257470630124063 Energy: 0.5305472456228166 Energy: 0.5257470630127797 Energy: 0.530547245614225 Energy: 0.5247673341565677 Energy: 0.5545030802285635 Energy: 0.5247673341569413 Energy: 0.5545030802289371 Energy: 0.5247673341569413 Energy: 0.5545030802296843 Energy: 0.5116320189615952 Energy: 0.5203897633332853 Energy: 0.511632018960848 Energy: 0.5203897633336588 Energy: 0.5116320189601009 Energy: 0.5203897633329457 minimum gb energy = 0.4666848608071907 eV minimum distance = 2.59031308197354 Angstroms sigma value = 43 ======================================== theta = 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Energy: 0.49937799910126457 Energy: 0.49282033475586257 Energy: 0.49937799910952374 Energy: 0.49282033475540366 Energy: 0.4993779991081472 Energy: 0.5936748874682194 Energy: 0.5352186764392397 Energy: 0.5936748874682194 Energy: 0.5352186764392397 Energy: 0.5936748874682194 Energy: 0.5352186764392397 Energy: 0.5130835220039544 Energy: 0.5509678457457025 Energy: 0.5130835220039544 Energy: 0.5509678457452437 Energy: 0.5130835220039544 Energy: 0.5509678457457025 Energy: 0.5697675307295677 Energy: 0.4750124039287737 Energy: 0.5697675307295677 Energy: 0.4750124039287737 Energy: 0.5697675307295677 Energy: 0.4750124039287737 Energy: 0.4927500884092887 Energy: 0.5263244632794234 Energy: 0.49275008840882983 Energy: 0.5263244632789644 Energy: 0.4927500884079121 Energy: 0.5263244632794234 Energy: 0.5245575358489997 Energy: 0.5385786171184179 Energy: 0.5245575358489997 Energy: 0.5385786171129119 Energy: 0.5245575358489997 Energy: 0.5385786171175002 Energy: 0.5382389234594612 Energy: 0.520732995925879 Energy: 0.5382389234594612 Energy: 0.520732995925879 Energy: 0.5382389234590024 Energy: 0.5207329959254202 minimum gb energy = 0.4750124039287737 eV minimum distance = 2.65598768173487 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 0.5318886373555445 Energy: 0.47954769356986915 Energy: 0.5318886373555445 Energy: 0.47954769356986915 Energy: 0.5318886373555445 Energy: 0.47954769356986915 Energy: 0.5069188055413398 Energy: 0.4534846075963496 Energy: 0.5069188055413398 Energy: 0.4534846075963496 Energy: 0.5069188055419338 Energy: 0.4534846075963496 Energy: 0.542741983603766 Energy: 0.5649622874862449 Energy: 0.542741983603766 Energy: 0.5649622874862449 Energy: 0.5427419836031988 Energy: 0.5649622874862449 Energy: 0.6638725104426868 Energy: 0.5019514860539933 Energy: 0.6638725103304294 Energy: 0.5019514860539933 Energy: 0.663872510107751 Energy: 0.5019514860539933 Energy: 0.6467623077931994 Energy: 0.5686450173498299 Energy: 0.6467623077931994 Energy: 0.5686450173498299 Energy: 0.6467623077931994 Energy: 0.5686450173498299 Energy: 0.5420593390593157 Energy: 0.5369396442448826 Energy: 0.5420593390587216 Energy: 0.5369396442454767 Energy: 0.5420593390593157 Energy: 0.5369396442454767 Energy: 0.5351690812848239 Energy: 0.5545522651412716 Energy: 0.5351690812848239 Energy: 0.5545522651412716 Energy: 0.5351690812848239 Energy: 0.5545522651412716 Energy: 0.5540405730599776 Energy: 0.4804504137581486 Energy: 0.5540405730593835 Energy: 0.4804504137581486 Energy: 0.5540405730599776 Energy: 0.4804504137581486 Energy: 0.5936611640639046 Energy: 0.5270036234010952 Energy: 0.5936611640633105 Energy: 0.5270036234010952 Energy: 0.5936611640639046 Energy: 0.5270036234016894 Energy: 0.46049504215799036 Energy: 0.5362766588030473 Energy: 0.46049504215799036 Energy: 0.5362766588030473 Energy: 0.4604950421585844 Energy: 0.5362766588024532 Energy: 0.5350038548218455 Energy: 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Energy: 0.5272784987166421 Energy: 0.5091577357093047 Energy: 0.5272784987172362 Energy: 0.5983358125018335 Energy: 0.5160983301604231 Energy: 0.5983358125018335 Energy: 0.5160983277470914 Energy: 0.5983358125018335 Energy: 0.5160983278931583 minimum gb energy = 0.4534846075963496 eV minimum distance = 2.55444637082393 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 0.5970141132990613 Energy: 0.47506325059535887 Energy: 0.5970141132990613 Energy: 0.47506325059535887 Energy: 0.5970141132990613 Energy: 0.47506325059535887 Energy: 0.5123594465572829 Energy: 0.45119896596773634 Energy: 0.5123594465572829 Energy: 0.45119896596773634 Energy: 0.5123594465572829 Energy: 0.45119896596773634 Energy: 0.4972593516787982 Energy: 0.5117133222244111 Energy: 0.4972593516787982 Energy: 0.5117133222244111 Energy: 0.4972593516787982 Energy: 0.5117133222244111 Energy: 0.565176071614755 Energy: 0.4964811356801349 Energy: 0.565176071614755 Energy: 0.4964811356801349 Energy: 0.565176071614755 Energy: 0.4964811356801349 Energy: 0.5636074945831934 Energy: 0.5638612807533513 Energy: 0.5636074945831934 Energy: 0.5638612807533513 Energy: 0.5636074945831934 Energy: 0.5638612807533513 Energy: 0.4822056971400409 Energy: 0.5097088357128498 Energy: 0.4822056971400409 Energy: 0.5097088357128498 Energy: 0.4822056971400409 Energy: 0.5097088357128498 Energy: 0.4945187669187794 Energy: 0.45521379015847746 Energy: 0.49451876691793917 Energy: 0.45521379015847746 Energy: 0.4945187669196195 Energy: 0.4552137901592986 Energy: 0.5650422579286246 Energy: 0.5619970610283491 Energy: 0.5650422579294648 Energy: 0.5619970610283491 Energy: 0.5650422579286246 Energy: 0.5619970610291892 Energy: 0.48551879798366115 Energy: 0.45100572743275347 Energy: 0.48551879798366115 Energy: 0.45100572743275347 Energy: 0.48551879798366115 Energy: 0.45100572743191325 Energy: 0.4705749138127939 Energy: 0.458410138774511 Energy: 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Energy: 0.6121734256075997 Energy: 0.48168897983063025 Energy: 0.6121734256075997 Energy: 0.4770071718349226 Energy: 0.5092625221799776 Energy: 0.4770071718349226 Energy: 0.5092625221799776 Energy: 0.4770071718349226 Energy: 0.5092625221799776 minimum gb energy = 0.4357048350079626 eV minimum distance = 2.62377137955557 Angstroms sigma value = 17 ======================================== theta = 97.054131382119 ======================================== Energy: 0.570752565930224 Energy: 0.44144723458098184 Energy: 0.570752565930224 Energy: 0.44144723458130625 Energy: 0.5707525659295751 Energy: 0.44144723458098184 Energy: 0.49711671171350347 Energy: 0.5062814139333838 Energy: 0.49711671171350347 Energy: 0.5062814139333838 Energy: 0.49711671171317906 Energy: 0.5062814139327348 Energy: 0.46500203502524434 Energy: 0.49314858429925656 Energy: 0.46500203502524434 Energy: 0.4931485842999054 Energy: 0.46500203502524434 Energy: 0.4931485842999054 Energy: 0.538130859139011 Energy: 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Energy: 0.5301967112016214 Energy: 0.4612689700834009 Energy: 0.5301967112019458 Energy: 0.4463933006073848 Energy: 0.45695178154802085 Energy: 0.4463933006070604 Energy: 0.45695178154802085 Energy: 0.4463933006073848 Energy: 0.4569517815486698 Energy: 0.41429465855401393 Energy: 0.5317734127045073 Energy: 0.4142946585533651 Energy: 0.5317734127041828 Energy: 0.4142946585543384 Energy: 0.5317734127041828 Energy: 0.5255353021468774 Energy: 0.5466006438826159 Energy: 0.5255353021481752 Energy: 0.5466006438822915 Energy: 0.5255353021468774 Energy: 0.5466006438822915 Energy: 0.4466758725474843 Energy: 0.47904962131903917 Energy: 0.446675872546511 Energy: 0.47904962131871476 Energy: 0.4466758725471598 Energy: 0.47904962131903917 Energy: 0.5075711958986123 Energy: 0.48739850500640874 Energy: 0.5075711958989368 Energy: 0.48739850500640874 Energy: 0.5075711958986123 Energy: 0.48739850500640874 Energy: 0.46563031464425286 Energy: 0.5497510072562388 Energy: 0.46563031464425286 Energy: 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Energy: 0.4646398840666121 Energy: 0.43294012473311544 Energy: 0.566553633136716 Energy: 0.48857247134716225 Energy: 0.5665536331370404 Energy: 0.48857247134716225 Energy: 0.5665536331370404 Energy: 0.48857247134683784 Energy: 0.5381356137477803 Energy: 0.45695703590028136 Energy: 0.5381356137477803 Energy: 0.45695703590060577 Energy: 0.5381356137484292 Energy: 0.45695703590093023 Energy: 0.46495987312710846 Energy: 0.49315628974326847 Energy: 0.46495987312710846 Energy: 0.4931562897435928 Energy: 0.46495987312743287 Energy: 0.4931562897435928 Energy: 0.49718017193769026 Energy: 0.43226931478067465 Energy: 0.4971801719383392 Energy: 0.4322693147809991 Energy: 0.49718017193801467 Energy: 0.43226931477937686 Energy: 0.5707525659305486 Energy: 0.44144723458130625 Energy: 0.5707525659305486 Energy: 0.44144723458098184 Energy: 0.570752565930224 Energy: 0.44144723458098184 Energy: 0.49711671171480126 Energy: 0.43090270608890374 Energy: 0.49711671171382793 Energy: 0.4309027060879304 Energy: 0.49711671171382793 Energy: 0.43090270608890374 Energy: 0.46500203502491994 Energy: 0.4931485842989321 Energy: 0.4650020350245955 Energy: 0.49314858429860764 Energy: 0.46500203502524434 Energy: 0.49314858429860764 Energy: 0.5381308591386866 Energy: 0.4562515021247581 Energy: 0.5381308591383621 Energy: 0.45625150212443366 Energy: 0.5381308591386866 Energy: 0.4562515021250826 Energy: 0.5664437038447568 Energy: 0.48834916350737184 Energy: 0.566443703844108 Energy: 0.48834916350737184 Energy: 0.5664437038444324 Energy: 0.48834916350737184 minimum gb energy = 0.4121848815226956 eV minimum distance = 2.53233032243934 Angstroms sigma value = 57 ======================================== theta = 99.36891557845483 ======================================== Energy: 0.5451033967242863 Energy: 0.4126862462412346 Energy: 0.5451033967237578 Energy: 0.4126862462412346 Energy: 0.5451033967242863 Energy: 0.4126862462412346 Energy: 0.4589314560842576 Energy: 0.46492437159054356 Energy: 0.4589314560842576 Energy: 0.46492437159054356 Energy: 0.4589314560842576 Energy: 0.46492437159001526 Energy: 0.4422848032228702 Energy: 0.4642975490520083 Energy: 0.4422848032228702 Energy: 0.4642975490514801 Energy: 0.4422848032223419 Energy: 0.4642975490520083 Energy: 0.5158206254661543 Energy: 0.44033026957876353 Energy: 0.5158206254666826 Energy: 0.44033026957876353 Energy: 0.5158206254666826 Energy: 0.44033026957876353 Energy: 0.5161916886489057 Energy: 0.40433533884143924 Energy: 0.5161916886478491 Energy: 0.40433533884091094 Energy: 0.5161916886473208 Energy: 0.40433533884143924 Energy: 0.4358456509188038 Energy: 0.4063921222354801 Energy: 0.4358456509188038 Energy: 0.40639212223442356 Energy: 0.4358456509188038 Energy: 0.40639212223812143 Energy: 0.5102283747860127 Energy: 0.43085645999237376 Energy: 0.5102283747860127 Energy: 0.43085645999078886 Energy: 0.5102283747870694 Energy: 0.43085645999078886 Energy: 0.49679668353196166 Energy: 0.5041582780019519 Energy: 0.49679668353143336 Energy: 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Energy: 0.5173722634594192 Energy: 0.46914018234237376 Energy: 0.43954687956099214 Energy: 0.5258676009224558 Energy: 0.43954687956099214 Energy: 0.5258676009224558 Energy: 0.43954687956099214 Energy: 0.525867600922984 Energy: 0.4726578252341495 Energy: 0.4616165508235768 Energy: 0.4726578252341495 Energy: 0.461616550824105 Energy: 0.4726578252336212 Energy: 0.461616550824105 Energy: 0.4798214897462453 Energy: 0.45657078629328895 Energy: 0.4798214897467736 Energy: 0.4565707862927607 Energy: 0.4798214897467736 Energy: 0.45657078629328895 Energy: 0.488291105168873 Energy: 0.523896658590144 Energy: 0.4882911051683447 Energy: 0.5238966585896158 Energy: 0.4882911051694012 Energy: 0.5238966585896158 Energy: 0.46348322343240034 Energy: 0.47715376260057824 Energy: 0.46348322343240034 Energy: 0.47715376260057824 Energy: 0.46348322343240034 Energy: 0.4771537626011065 Energy: 0.46450630328978837 Energy: 0.43526999138262634 Energy: 0.46450630328926007 Energy: 0.43526999138262634 Energy: 0.46450630328926007 Energy: 0.43526999138262634 Energy: 0.4510377870657188 Energy: 0.5042846941059835 Energy: 0.4510377870657188 Energy: 0.5042846941054553 Energy: 0.45103778706677533 Energy: 0.5042846941054553 Energy: 0.39151797972432245 Energy: 0.5313258888286129 Energy: 0.3915179797248507 Energy: 0.5313258888286129 Energy: 0.3915179797248507 Energy: 0.5313258888286129 Energy: 0.41809904119069563 Energy: 0.4261862704691083 Energy: 0.4180990411912239 Energy: 0.42618627046963664 Energy: 0.41809904119016733 Energy: 0.4261862704691083 Energy: 0.431957823485309 Energy: 0.5557773802006074 Energy: 0.431957823485309 Energy: 0.5557773802006074 Energy: 0.43195782348478073 Energy: 0.555777380200079 Energy: 0.44942004527855767 Energy: 0.5021303057790283 Energy: 0.4494200452796142 Energy: 0.5021303057785002 Energy: 0.4494200452790859 Energy: 0.5021303057785002 Energy: 0.4117849502110837 Energy: 0.42598106205076264 Energy: 0.411784950211612 Energy: 0.4259810620512909 Energy: 0.41178495021214023 Energy: 0.4259810620512909 Energy: 0.3990316830144501 Energy: 0.47718095761719487 Energy: 0.39903168301497843 Energy: 0.47718095761666657 Energy: 0.3990316830139218 Energy: 0.47718095761719487 minimum gb energy = 0.39151797972432245 eV minimum distance = 2.54219917109121 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 0.5012100260127075 Energy: 0.37450780027911873 Energy: 0.5012100260127075 Energy: 0.37450780027873387 Energy: 0.5012100260127075 Energy: 0.37450780027911873 Energy: 0.4042592399433615 Energy: 0.4169665831006148 Energy: 0.4042592399433615 Energy: 0.4169665831009997 Energy: 0.4042592399433615 Energy: 0.41696658310022994 Energy: 0.39502474908779533 Energy: 0.417933630068203 Energy: 0.39502474908779533 Energy: 0.417933630068203 Energy: 0.3950247490881803 Energy: 0.417933630068203 Energy: 0.4743773612044486 Energy: 0.3817984065901086 Energy: 0.47437736120406376 Energy: 0.3817984065901086 Energy: 0.4743773612044486 Energy: 0.3817984065901086 Energy: 0.4460099263069866 Energy: 0.4049446935231965 Energy: 0.4460099263069866 Energy: 0.4049446935231965 Energy: 0.4460099263069866 Energy: 0.4049446935235815 Energy: 0.378707462465872 Energy: 0.40635061890233887 Energy: 0.378707462465872 Energy: 0.40635061890233887 Energy: 0.378707462465872 Energy: 0.40635061890233887 Energy: 0.4557382751408132 Energy: 0.3776226857550092 Energy: 0.4557382751408132 Energy: 0.377622685755779 Energy: 0.45573827514042825 Energy: 0.37762268575616387 Energy: 0.4725241099035427 Energy: 0.4445444178597231 Energy: 0.4725241099035427 Energy: 0.4445444178597231 Energy: 0.4725241099035427 Energy: 0.4445444178597231 Energy: 0.3696967713783169 Energy: 0.40372309531720385 Energy: 0.3696967713783169 Energy: 0.40372309531758876 Energy: 0.36969677137870177 Energy: 0.40372309531758876 Energy: 0.4873535816120011 Energy: 0.36402929312591187 Energy: 0.4873535816116161 Energy: 0.36402929312668164 Energy: 0.4873535816116161 Energy: 0.3640292931262968 Energy: 0.4371027251353415 Energy: 0.4364025881542297 Energy: 0.4371027251349565 Energy: 0.4364025881542297 Energy: 0.4371027251353415 Energy: 0.43640258815384486 Energy: 0.38753205278039976 Energy: 0.4031097589120459 Energy: 0.38753205278039976 Energy: 0.4031097589120459 Energy: 0.38753205278039976 Energy: 0.4031097589120459 Energy: 0.4098804491939139 Energy: 0.3551881637206791 Energy: 0.40988044919468375 Energy: 0.3551881637206791 Energy: 0.40988044919429883 Energy: 0.3551881637214489 Energy: 0.44534189829937326 Energy: 0.4429396214244035 Energy: 0.4453418982989884 Energy: 0.4429396214244035 Energy: 0.44534189829937326 Energy: 0.4429396214244035 Energy: 0.3646280416415382 Energy: 0.4030484643881928 Energy: 0.3646280416411533 Energy: 0.4030484643862683 Energy: 0.3646280416407684 Energy: 0.4030484643870381 Energy: 0.41471796313977155 Energy: 0.3764133404028211 Energy: 0.41471796314015646 Energy: 0.3764133404028211 Energy: 0.41471796314015646 Energy: 0.3764133404028211 Energy: 0.4518677098091782 Energy: 0.44272371584320497 Energy: 0.4518677098091782 Energy: 0.44272371584282005 Energy: 0.451867709809948 Energy: 0.44272371584282005 Energy: 0.37067010765502073 Energy: 0.4601179901947445 Energy: 0.37067010765502073 Energy: 0.46011799019551425 Energy: 0.3706701076546358 Energy: 0.46011799019397465 Energy: 0.4055125782523566 Energy: 0.3928751359232585 Energy: 0.4055125782523566 Energy: 0.3928751359232585 Energy: 0.4055125782523566 Energy: 0.3928751359236434 Energy: 0.4628355275721607 Energy: 0.4469812860573519 Energy: 0.46283552757139096 Energy: 0.4469812860573519 Energy: 0.4628355275721607 Energy: 0.4469812860577368 Energy: 0.38492912959963327 Energy: 0.49181399510370216 Energy: 0.38492912959924835 Energy: 0.49181399510370216 Energy: 0.3849291296000182 Energy: 0.49181399510370216 Energy: 0.42072548202752247 Energy: 0.40593388167019556 Energy: 0.4207254820271376 Energy: 0.40593388167019556 Energy: 0.4207254820271376 Energy: 0.40593388167019556 Energy: 0.4241228335291913 Energy: 0.40049624118861643 Energy: 0.4241228335291913 Energy: 0.40049624118861643 Energy: 0.42412283352957625 Energy: 0.4004962411897711 Energy: 0.42499358331408077 Energy: 0.4910515730676323 Energy: 0.42499358331369586 Energy: 0.4910515730676323 Energy: 0.42499358331369586 Energy: 0.4910515730676323 Energy: 0.40486376993761225 Energy: 0.405463412836279 Energy: 0.40486376993761225 Energy: 0.405463412836279 Energy: 0.40486376993722734 Energy: 0.40546341283666393 Energy: 0.4041952890185143 Energy: 0.3828721011995872 Energy: 0.40419528901774454 Energy: 0.3828721011995872 Energy: 0.40419528901812946 Energy: 0.3828721011995872 Energy: 0.39410091527735247 Energy: 0.46654439814742893 Energy: 0.3941009152781223 Energy: 0.46654439814781384 Energy: 0.3941009152777374 Energy: 0.46654439814781384 Energy: 0.3371203763691099 Energy: 0.3984352282328832 Energy: 0.3371203763683401 Energy: 0.3984352282328832 Energy: 0.3371203763691099 Energy: 0.39843522823211336 Energy: 0.3599275246718695 Energy: 0.36811145901465686 Energy: 0.3599275246718695 Energy: 0.36811145901465686 Energy: 0.3599275246718695 Energy: 0.36811145901465686 Energy: 0.363335378290422 Energy: 0.45003382728804636 Energy: 0.363335378290422 Energy: 0.4500338272876615 Energy: 0.36333537829080687 Energy: 0.45003382728804636 Energy: 0.39357763288340053 Energy: 0.4831600564706897 Energy: 0.39357763288340053 Energy: 0.4831600564706897 Energy: 0.39357763288340053 Energy: 0.48316005647107463 Energy: 0.401410575615743 Energy: 0.36278425542375714 Energy: 0.401410575615743 Energy: 0.36278425542375714 Energy: 0.401410575615743 Energy: 0.36278425542375714 Energy: 0.35562940747842664 Energy: 0.4827935361551069 Energy: 0.3556294074791964 Energy: 0.4827935361551069 Energy: 0.3556294074788115 Energy: 0.4827935361551069 Energy: 0.4430239124853065 Energy: 0.4413755875050236 Energy: 0.4430239124856914 Energy: 0.44137558750579337 Energy: 0.4430239124856914 Energy: 0.44137558750579337 Energy: 0.40083402168644877 Energy: 0.3840764831595797 Energy: 0.40083402168683363 Energy: 0.3840764831591948 Energy: 0.40083402168683363 Energy: 0.3840764831595797 Energy: 0.3341379081884213 Energy: 0.4048106138002494 Energy: 0.3341379081876515 Energy: 0.40481061379986444 Energy: 0.3341379081884213 Energy: 0.4048106138002494 minimum gb energy = 0.3341379081876515 eV minimum distance = 2.5492270183073 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.08365582971346117 Energy: 0.10648693947993912 Energy: 0.08365582971358973 Energy: 0.10648693948035695 Energy: 0.08365582971346117 Energy: 0.10648693948008374 Energy: 0.24137465976753003 Energy: 0.08487337008574812 Energy: 0.2413746597671122 Energy: 0.08487437258118992 Energy: 0.2413746597674015 Energy: 0.0850203620838843 Energy: 0.24138394147259376 Energy: 0.0845457594258214 Energy: 0.24138394147259376 Energy: 0.08454803863124506 Energy: 0.24138394147188666 Energy: 0.084544001018595 Energy: 0.0836558297131719 Energy: 0.10648693947993912 Energy: 0.0836558297131719 Energy: 0.10648693948022839 Energy: 0.08365582971331652 Energy: 0.10648693948022839 Energy: 0.24137465976767467 Energy: 0.08487431451898242 Energy: 0.2413746597674015 Energy: 0.08485940276320605 Energy: 0.2413746597674015 Energy: 0.08485763168397104 Energy: 0.24138394147230452 Energy: 0.08454492213932802 Energy: 0.24138394147259376 Energy: 0.08454475786620118 Energy: 0.24138394147215989 Energy: 0.08454316149944292 Energy: 0.08365582971358973 Energy: 0.10648693948022839 Energy: 0.08365582971358973 Energy: 0.10648693947993912 Energy: 0.08365582971358973 Energy: 0.10648693948064625 Energy: 0.24137465976753003 Energy: 0.08486564752804876 Energy: 0.2413746597671122 Energy: 0.08484646154828014 Energy: 0.2413746597678193 Energy: 0.08487127862965024 Energy: 0.24138394147215989 Energy: 0.08454784560804539 Energy: 0.2413839414727384 Energy: 0.0845452727885909 Energy: 0.24138394147244913 Energy: 0.08454526744161073 Energy: 0.0836558297131719 Energy: 0.1064869394805016 Energy: 0.08365582971302724 Energy: 0.10648693948064625 Energy: 0.0836558297131719 Energy: 0.10648693948064625 minimum gb energy = 0.08365582971302724 eV minimum distance = 2.82971863443957 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 0.44884491552334344 Energy: 0.3905951917879064 Energy: 0.44884491552334344 Energy: 0.39059519178748314 Energy: 0.44884491552334344 Energy: 0.3905951917879064 Energy: 0.3969068641312192 Energy: 0.4252326572881786 Energy: 0.3969068641312192 Energy: 0.4252326572881786 Energy: 0.3969068641312192 Energy: 0.4252326572881786 Energy: 0.41016910795622075 Energy: 0.4262815235050338 Energy: 0.41016910795664396 Energy: 0.4262815235050338 Energy: 0.41016910795622075 Energy: 0.4262815235050338 Energy: 0.42668676246877446 Energy: 0.402500429002134 Energy: 0.426686762467928 Energy: 0.402500429002134 Energy: 0.4266867624683513 Energy: 0.402500429002134 Energy: 0.383308192630308 Energy: 0.4256948926270925 Energy: 0.38330819263073124 Energy: 0.42569489262749644 Energy: 0.38330819263073124 Energy: 0.4256948926270925 Energy: 0.4099395787060173 Energy: 0.40995880596889184 Energy: 0.40993957870644054 Energy: 0.40995880596889184 Energy: 0.4099395787060173 Energy: 0.40995880596889184 Energy: 0.41515151304399767 Energy: 0.42057019160174247 Energy: 0.41515151304399767 Energy: 0.42057019160174247 Energy: 0.41515151304357445 Energy: 0.4205701916021657 Energy: 0.3554801662514074 Energy: 0.4262087767164983 Energy: 0.3554801662509841 Energy: 0.42620877671607504 Energy: 0.3554801662509841 Energy: 0.4262087767164983 Energy: 0.41396080621016623 Energy: 0.411845647972851 Energy: 0.413960806209743 Energy: 0.4118456479724279 Energy: 0.413960806209743 Energy: 0.411845647972851 Energy: 0.4159368902304766 Energy: 0.39720339714900615 Energy: 0.4159368902300535 Energy: 0.39720339714900615 Energy: 0.4159368902300535 Energy: 0.39720339714900615 Energy: 0.36708232787321543 Energy: 0.43230349834194975 Energy: 0.3670823278727923 Energy: 0.43230349834194975 Energy: 0.3670823278727923 Energy: 0.43230349834194975 Energy: 0.4168121399488633 Energy: 0.4226583102088564 Energy: 0.4168121399488633 Energy: 0.42265831020927963 Energy: 0.4168121399488633 Energy: 0.42265831020927963 Energy: 0.42615692012961387 Energy: 0.3533700874439147 Energy: 0.42615692012961387 Energy: 0.3533700874439147 Energy: 0.42615692012961387 Energy: 0.3533700874439147 Energy: 0.4047839734438248 Energy: 0.41452065535980404 Energy: 0.4047839734434015 Energy: 0.41452065535980404 Energy: 0.404783973444248 Energy: 0.41452065535980404 Energy: 0.4175176893938916 Energy: 0.4194864284271959 Energy: 0.41751768939431483 Energy: 0.4194864284271959 Energy: 0.4175176893938916 Energy: 0.4194864284271959 Energy: 0.42496178224617404 Energy: 0.3517815602086819 Energy: 0.42496178224575076 Energy: 0.3517815602082587 Energy: 0.42496178224617404 Energy: 0.3517815602082587 Energy: 0.40906818890798846 Energy: 0.4218575648740234 Energy: 0.40906818890671887 Energy: 0.4218575648744466 Energy: 0.40906818890798846 Energy: 0.4218575648740234 Energy: 0.4246775632880733 Energy: 0.40742730650429493 Energy: 0.4246775632880733 Energy: 0.40742730650471815 Energy: 0.42467756328849643 Energy: 0.40742730650429493 Energy: 0.42454825793026324 Energy: 0.39087032859344994 Energy: 0.42454825793026324 Energy: 0.3908703285942963 Energy: 0.42454825793026324 Energy: 0.3908703285938731 Energy: 0.4231752327004572 Energy: 0.4402911786420943 Energy: 0.4231752327004572 Energy: 0.4402911786420943 Energy: 0.4231752327004572 Energy: 0.4402911786420943 Energy: 0.41045636966467136 Energy: 0.3978153627015448 Energy: 0.4104563696642482 Energy: 0.3978153627015448 Energy: 0.41045636966467136 Energy: 0.3978153627015448 Energy: 0.42808188727255503 Energy: 0.4001133250957295 Energy: 0.42808188727255503 Energy: 0.4001133250957295 Energy: 0.42808188727255503 Energy: 0.4001133250953062 Energy: 0.3970926577975418 Energy: 0.44138437108894546 Energy: 0.3970926577975418 Energy: 0.4413843710893687 Energy: 0.39709265779796493 Energy: 0.4413843710893687 Energy: 0.42179790994409405 Energy: 0.3884277861912185 Energy: 0.42179790994409405 Energy: 0.3884277861912185 Energy: 0.42179790994451727 Energy: 0.3884277861912185 Energy: 0.41430569689119234 Energy: 0.4211980953971091 Energy: 0.41430569689161556 Energy: 0.4211980953971091 Energy: 0.4143056968920388 Energy: 0.4211980953971091 Energy: 0.3845036052994478 Energy: 0.41572323223068364 Energy: 0.384503605299871 Energy: 0.4157232322302604 Energy: 0.3845036052994478 Energy: 0.4157232322302604 Energy: 0.4440793900800378 Energy: 0.4014243630880448 Energy: 0.4440793900800378 Energy: 0.4014243630880448 Energy: 0.4440793900800378 Energy: 0.4014243630880448 Energy: 0.40739713686510404 Energy: 0.41533481083093965 Energy: 0.4073971368646808 Energy: 0.41533481083093965 Energy: 0.4073971368646808 Energy: 0.41533481083093965 Energy: 0.36928727261477345 Energy: 0.42576458040912096 Energy: 0.36928727261477345 Energy: 0.4257645804095442 Energy: 0.3692872726143503 Energy: 0.42576458040912096 Energy: 0.41284015006176894 Energy: 0.41755203125291646 Energy: 0.41284015006176894 Energy: 0.41755203125291646 Energy: 0.41284015006176894 Energy: 0.4175520312533397 Energy: 0.4130363854596841 Energy: 0.42130260064650754 Energy: 0.4130363854596841 Energy: 0.42130260064650754 Energy: 0.4130363854596841 Energy: 0.42130260064608427 Energy: 0.39460538926687705 Energy: 0.4191721511507042 Energy: 0.39460538926687705 Energy: 0.4191721511507042 Energy: 0.3946053892664538 Energy: 0.4191721511507042 Energy: 0.410984822102652 Energy: 0.4249981059020324 Energy: 0.41098482210222875 Energy: 0.42499810590245557 Energy: 0.410984822102652 Energy: 0.4249981059020324 minimum gb energy = 0.3517815602082587 eV minimum distance = 2.6524099257182 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 0.4986346971166619 Energy: 0.4614578608574793 Energy: 0.4986346971166619 Energy: 0.4614578608574793 Energy: 0.4986346971166619 Energy: 0.4614578608574793 Energy: 0.46054832082803254 Energy: 0.4863037314867675 Energy: 0.46054832082803254 Energy: 0.4863037314867675 Energy: 0.46054832082803254 Energy: 0.4863037314867675 Energy: 0.48101743281373527 Energy: 0.4861968488212193 Energy: 0.5084428883984213 Energy: 0.4861968488212193 Energy: 0.5084428883984213 Energy: 0.4861968488212193 Energy: 0.48928789774230197 Energy: 0.45493481832112637 Energy: 0.489287897743508 Energy: 0.45493481832112637 Energy: 0.48928789774290504 Energy: 0.45493481832112637 Energy: 0.447939186002006 Energy: 0.48753267405027606 Energy: 0.447939186002006 Energy: 0.48753267405027606 Energy: 0.447939186001403 Energy: 0.487532674049673 Energy: 0.49399237502634874 Energy: 0.48653458145893974 Energy: 0.4939923750269518 Energy: 0.4865345814583367 Energy: 0.49399237502634874 Energy: 0.48653458145893974 Energy: 0.48091789859527007 Energy: 0.48491003019183654 Energy: 0.48091789859527007 Energy: 0.4849100301924396 Energy: 0.48091789859527007 Energy: 0.4849100301924396 Energy: 0.47082584382507625 Energy: 0.4873509977129769 Energy: 0.47082584382507625 Energy: 0.4873509977129769 Energy: 0.47082584382507625 Energy: 0.4873509977123739 Energy: 0.49479056097630586 Energy: 0.49113534475010656 Energy: 0.4947905609769089 Energy: 0.49113534475010656 Energy: 0.49479056097630586 Energy: 0.49113534475010656 Energy: 0.4771172061612453 Energy: 0.42178773609144465 Energy: 0.4771172061612453 Energy: 0.4217877360920477 Energy: 0.4771172061612453 Energy: 0.4217877360908416 Energy: 0.5015947595779865 Energy: 0.48225386775009094 Energy: 0.5015947595779865 Energy: 0.48225386775009094 Energy: 0.5015947595779865 Energy: 0.48225386774948786 Energy: 0.47730042233619735 Energy: 0.476731716360385 Energy: 0.47730042233619735 Energy: 0.476731716360385 Energy: 0.47730042233619735 Energy: 0.476731716360988 Energy: 0.477251937836121 Energy: 0.480539026207698 Energy: 0.477251937836121 Energy: 0.480539026207698 Energy: 0.477251937836121 Energy: 0.48053902620709493 Energy: 0.48591888994765503 Energy: 0.48767456822500244 Energy: 0.48591888994765503 Energy: 0.48767456822500244 Energy: 0.48591888994765503 Energy: 0.48767456822500244 Energy: 0.46019768850640674 Energy: 0.458312644849795 Energy: 0.4601976885070098 Energy: 0.458312644849795 Energy: 0.46019768850640674 Energy: 0.458312644849795 Energy: 0.49210730113392015 Energy: 0.4762005610390293 Energy: 0.49210730113392015 Energy: 0.4762005610384263 Energy: 0.4921073011333172 Energy: 0.4762005610390293 Energy: 0.45556838818061146 Energy: 0.49514542254443544 Energy: 0.4555683881812144 Energy: 0.49514542254383237 Energy: 0.45556838818061146 Energy: 0.49514542254383237 Energy: 0.47312927661785237 Energy: 0.44882605825794764 Energy: 0.47312927661785237 Energy: 0.44882605825794764 Energy: 0.4731292766184554 Energy: 0.44882605825794764 Energy: 0.48326809332912773 Energy: 0.493663227022954 Energy: 0.4832680933285247 Energy: 0.4936632270235571 Energy: 0.48326809332912773 Energy: 0.493663227022954 Energy: 0.496452869061653 Energy: 0.4981403463945859 Energy: 0.496452869061653 Energy: 0.4981403463945859 Energy: 0.496452869061653 Energy: 0.4981403463945859 Energy: 0.5166836074462445 Energy: 0.4506630296857016 Energy: 0.5166836074450385 Energy: 0.4506630296857016 Energy: 0.5166836074462445 Energy: 0.4506630296857016 Energy: 0.4948233613189975 Energy: 0.5095647624447573 Energy: 0.4948233613189975 Energy: 0.5095647624447573 Energy: 0.49482336131839444 Energy: 0.5095647624447573 Energy: 0.4295481419118066 Energy: 0.4970664368010646 Energy: 0.4295481419124097 Energy: 0.4970664368004616 Energy: 0.4295481419118066 Energy: 0.4970664368010646 minimum gb energy = 0.4217877360908416 eV minimum distance = 2.59131288891848 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 0.535243066801504 Energy: 0.4821872172554135 Energy: 0.535243066802269 Energy: 0.4821872172554135 Energy: 0.5352430668018865 Energy: 0.4821872172554135 Energy: 0.4953149228151066 Energy: 0.5188630776491151 Energy: 0.4953149228151066 Energy: 0.5188630776491151 Energy: 0.4953149228151066 Energy: 0.5188630776491151 Energy: 0.5269161135347682 Energy: 0.5185168291998724 Energy: 0.5269161135343856 Energy: 0.5185168292002551 Energy: 0.5269161135347682 Energy: 0.5185168292002551 Energy: 0.5281211344371954 Energy: 0.482899928883739 Energy: 0.528121134436813 Energy: 0.4828999288833565 Energy: 0.5281211344371954 Energy: 0.482899928883739 Energy: 0.492907774551238 Energy: 0.534767841831806 Energy: 0.492907774551238 Energy: 0.5347678418321886 Energy: 0.492907774551238 Energy: 0.5347678418321886 Energy: 0.5559856658386546 Energy: 0.5289516415464537 Energy: 0.5559856658382722 Energy: 0.5289516415464537 Energy: 0.5559856658390373 Energy: 0.5341142054145134 Energy: 0.4886414625192668 Energy: 0.5121256417710939 Energy: 0.4886414625177366 Energy: 0.5121256417703288 Energy: 0.48864146251964935 Energy: 0.512125641771859 Energy: 0.5167889931883587 Energy: 0.5238574005019789 Energy: 0.5167889931887413 Energy: 0.5238574005023616 Energy: 0.5167889931883587 Energy: 0.5238574005019789 Energy: 0.5135639368655645 Energy: 0.533186101944452 Energy: 0.5135639368655645 Energy: 0.5331861019440696 Energy: 0.5135639368655645 Energy: 0.5331861019440696 Energy: 0.5522286731180213 Energy: 0.517650154853692 Energy: 0.5522286731168736 Energy: 0.5097622023613609 Energy: 0.5522286731176388 Energy: 0.5337069781661986 Energy: 0.5271815505355643 Energy: 0.5261795016393164 Energy: 0.5271815505359468 Energy: 0.526179501639699 Energy: 0.5271815505355643 Energy: 0.526179501639699 Energy: 0.4931885802212478 Energy: 0.4973149582979645 Energy: 0.49318858022201284 Energy: 0.497314958298347 Energy: 0.49318858022163037 Energy: 0.4973149582979645 Energy: 0.5259931818386792 Energy: 0.5008954793881175 Energy: 0.5259931818382966 Energy: 0.5008954793881175 Energy: 0.5259931818390617 Energy: 0.5008954793881175 Energy: 0.5096865419035812 Energy: 0.5097000027237899 Energy: 0.5096865419039638 Energy: 0.5097000027237899 Energy: 0.5096865419035812 Energy: 0.5097000027234074 Energy: 0.5092828802397696 Energy: 0.4978985069772803 Energy: 0.5092828802401522 Energy: 0.4978985069772803 Energy: 0.5092828802401522 Energy: 0.4978985069772803 Energy: 0.5281540479275304 Energy: 0.5273313101630039 Energy: 0.528154047927913 Energy: 0.5273313101630039 Energy: 0.5281540479275304 Energy: 0.5273313101630039 Energy: 0.4880122198036989 Energy: 0.5281485637938416 Energy: 0.4880122198044641 Energy: 0.5281485637938416 Energy: 0.4880122198044641 Energy: 0.5281485637942241 Energy: 0.5441118856895586 Energy: 0.5426562534289257 Energy: 0.5441118856887933 Energy: 0.5426562534281606 Energy: 0.544111885689941 Energy: 0.542656253427778 Energy: 0.4881065707807044 Energy: 0.5447164921387186 Energy: 0.48810657077993924 Energy: 0.5447164921387186 Energy: 0.4881065707803219 Energy: 0.5447164921387186 Energy: 0.5410522925208278 Energy: 0.5190367060190533 Energy: 0.5410522925212103 Energy: 0.5190367060190533 Energy: 0.5410522925208278 Energy: 0.5190367060186707 Energy: 0.5209664827516582 Energy: 0.5264092420942537 Energy: 0.5209664827524234 Energy: 0.5264092420942537 Energy: 0.5209664827516582 Energy: 0.5264092420942537 Energy: 0.5064430669564857 Energy: 0.48833334697739395 Energy: 0.5064430669557204 Energy: 0.4883333469777764 Energy: 0.5064430669557204 Energy: 0.48833334697739395 Energy: 0.48473227370246413 Energy: 0.5263219769562041 Energy: 0.48473227370284666 Energy: 0.5263219769562041 Energy: 0.48473227370246413 Energy: 0.5263219769562041 Energy: 0.5387233966749599 Energy: 0.4925447611551878 Energy: 0.5387233966749599 Energy: 0.4925447611551878 Energy: 0.5387233966749599 Energy: 0.49254476115480533 Energy: 0.5208471716720809 Energy: 0.49902978637787027 Energy: 0.5208471716716984 Energy: 0.49902978637787027 Energy: 0.5208471716713158 Energy: 0.49902978637787027 Energy: 0.48534525529116357 Energy: 0.53659532967626 Energy: 0.48534525529116357 Energy: 0.53659532967626 Energy: 0.48534525529154615 Energy: 0.53659532967626 Energy: 0.488545498005782 Energy: 0.48873409085109976 Energy: 0.4885454980061646 Energy: 0.4887340908514823 Energy: 0.488545498005782 Energy: 0.48873409085109976 Energy: 0.5411353088869162 Energy: 0.5463673496769449 Energy: 0.5411353088869162 Energy: 0.5463673496769449 Energy: 0.5411353088872987 Energy: 0.5463673496769449 Energy: 0.5426078026039169 Energy: 0.5347368062774343 Energy: 0.5426078026042995 Energy: 0.534736806277817 Energy: 0.5426078026039169 Energy: 0.534736806277817 Energy: 0.4886917400294003 Energy: 0.5116717499859537 Energy: 0.4886917400294003 Energy: 0.5116717499859537 Energy: 0.4886917400294003 Energy: 0.5116717499859537 Energy: 0.5559753890633767 Energy: 0.5433970176487166 Energy: 0.5559753890641417 Energy: 0.5433970176490993 Energy: 0.5559753890633767 Energy: 0.5433970176490993 Energy: 0.4943024701852324 Energy: 0.5191171225693251 Energy: 0.4943024701852324 Energy: 0.5191171225693251 Energy: 0.4943024701852324 Energy: 0.5191171225693251 Energy: 0.52489455047428 Energy: 0.5303297853771388 Energy: 0.5248945504746625 Energy: 0.5303297853775213 Energy: 0.5248945504746625 Energy: 0.5303297853771388 Energy: 0.5064321402340873 Energy: 0.5186097753848996 Energy: 0.5064321402340873 Energy: 0.5186097753852822 Energy: 0.5064321402340873 Energy: 0.5186097753852822 Energy: 0.4923243928226811 Energy: 0.5185036132626447 Energy: 0.4923243928226811 Energy: 0.5185036132626447 Energy: 0.4923243928226811 Energy: 0.5185036132626447 Energy: 0.5419463087354636 Energy: 0.5023015711140312 Energy: 0.5419463087346984 Energy: 0.5023015711140312 Energy: 0.5419463087354636 Energy: 0.5023015711144138 Energy: 0.49236074625900905 Energy: 0.4975186730404048 Energy: 0.49236074625900905 Energy: 0.49751867304002223 Energy: 0.49236074625900905 Energy: 0.4975186730404048 minimum gb energy = 0.4821872172554135 eV minimum distance = 2.63958404313431 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.5798886103248674 Energy: 0.5394960729103577 Energy: 0.5798886103248674 Energy: 0.5394960729103577 Energy: 0.5798886103248674 Energy: 0.5394960729103577 Energy: 0.5424994122471019 Energy: 0.5663562522020517 Energy: 0.5424994122471019 Energy: 0.5663562522020517 Energy: 0.5424994122471019 Energy: 0.5663562522020517 Energy: 0.6134693674511695 Energy: 0.5663229969727517 Energy: 0.6162910746834741 Energy: 0.5663229969727517 Energy: 0.5979926385015042 Energy: 0.5663229969727517 Energy: 0.5867362381318664 Energy: 0.6033838948868062 Energy: 0.5867362381318664 Energy: 0.6033838948868062 Energy: 0.5867362381318664 Energy: 0.6033838948868062 Energy: 0.5947162828432938 Energy: 0.5720626622645918 Energy: 0.5947162828432938 Energy: 0.5720626622645918 Energy: 0.5947162828432938 Energy: 0.5720626622645918 Energy: 0.5957353356523092 Energy: 0.5803482990588235 Energy: 0.5957353356533536 Energy: 0.5803482990588235 Energy: 0.5957353356523092 Energy: 0.5803482990588235 Energy: 0.5795160228696492 Energy: 0.540652041631946 Energy: 0.5795160228696492 Energy: 0.5406520416329906 Energy: 0.5795160228696492 Energy: 0.540652041631946 Energy: 0.562441254971453 Energy: 0.5649562861628774 Energy: 0.562441254971453 Energy: 0.5649562861618329 Energy: 0.562441254971453 Energy: 0.5649562861628774 Energy: 0.5437542698772387 Energy: 0.5372514091451849 Energy: 0.5437542698772387 Energy: 0.5372514091451849 Energy: 0.5437542698772387 Energy: 0.5372514091451849 Energy: 0.5808303515274529 Energy: 0.5510047356740456 Energy: 0.5808303515274529 Energy: 0.5510047356750901 Energy: 0.5808303515274529 Energy: 0.5510047356750901 Energy: 0.5442478706919425 Energy: 0.5663805820678789 Energy: 0.5442478706919425 Energy: 0.5663805820678789 Energy: 0.5442478706919425 Energy: 0.5663805820678789 Energy: 0.5672285975464039 Energy: 0.566114032496367 Energy: 0.5672285975464039 Energy: 0.566114032496367 Energy: 0.5672285975464039 Energy: 0.566114032496367 Energy: 0.5910345898139107 Energy: 0.5613367801003624 Energy: 0.5910345898139107 Energy: 0.5613367801003624 Energy: 0.5910345898139107 Energy: 0.5613367801003624 Energy: 0.5974307085540513 Energy: 0.5735994589139133 Energy: 0.5974307085540513 Energy: 0.5735994589139133 Energy: 0.5974307085540513 Energy: 0.5735994589139133 minimum gb energy = 0.5372514091451849 eV minimum distance = 2.50885775696232 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 0.596761390341276 Energy: 0.5615798081972928 Energy: 0.596761390341276 Energy: 0.5615798081977516 Energy: 0.5967613903421937 Energy: 0.561579808196834 Energy: 0.5539331281058564 Energy: 0.583235614430325 Energy: 0.5539331281063152 Energy: 0.5832356144307839 Energy: 0.5539331281063152 Energy: 0.583235614430325 Energy: 0.609616464787455 Energy: 0.5761556357937992 Energy: 0.6096164647879139 Energy: 0.5761556357937992 Energy: 0.6165706015460479 Energy: 0.5761556357942582 Energy: 0.5853661043046052 Energy: 0.5647106980672029 Energy: 0.5853661043046052 Energy: 0.5647106980672029 Energy: 0.5853661043050642 Energy: 0.5647106980672029 Energy: 0.6060590808084483 Energy: 0.582018877055745 Energy: 0.6060590808084483 Energy: 0.582018877055745 Energy: 0.6060590808084483 Energy: 0.582018877055745 Energy: 0.5917652797465008 Energy: 0.6020496057573553 Energy: 0.5917652797465008 Energy: 0.6020496057568965 Energy: 0.5917652797460421 Energy: 0.6020496057573553 Energy: 0.5827027234999266 Energy: 0.5700346825664113 Energy: 0.5827027234999266 Energy: 0.5700346825668702 Energy: 0.5827027235003854 Energy: 0.5700346825668702 Energy: 0.5659987962762517 Energy: 0.5837213667182879 Energy: 0.5659987962762517 Energy: 0.5837213667178291 Energy: 0.5659987962762517 Energy: 0.5837213667178291 Energy: 0.5723351622606752 Energy: 0.5964458169129712 Energy: 0.5723351622606752 Energy: 0.5964458169129712 Energy: 0.5723351622606752 Energy: 0.5964458169129712 Energy: 0.5793835797220463 Energy: 0.5775893857367083 Energy: 0.5793835797220463 Energy: 0.5775893857408377 Energy: 0.5793835797220463 Energy: 0.5775893857403789 Energy: 0.5652524248090728 Energy: 0.5854039737994482 Energy: 0.5652524248090728 Energy: 0.5854039737994482 Energy: 0.565252424808614 Energy: 0.5854039737989893 Energy: 0.5963607391188437 Energy: 0.6030589910183354 Energy: 0.5963607391188437 Energy: 0.6030589910178766 Energy: 0.5963607391188437 Energy: 0.6030589910183354 Energy: 0.5756284402800733 Energy: 0.56767300988376 Energy: 0.5756284402814498 Energy: 0.56767300988376 Energy: 0.5756284402791556 Energy: 0.56767300988376 Energy: 0.6020112168328275 Energy: 0.5806157039576961 Energy: 0.6020112168328275 Energy: 0.580615703958155 Energy: 0.6020112168328275 Energy: 0.5806157039576961 Energy: 0.5652120102751558 Energy: 0.574488865083505 Energy: 0.5652120102756146 Energy: 0.574488865083505 Energy: 0.5652120102751558 Energy: 0.5744888650844227 Energy: 0.5813629801906247 Energy: 0.6123770778467947 Energy: 0.5813629801910835 Energy: 0.612377077846336 Energy: 0.5813629801906247 Energy: 0.612377077846336 Energy: 0.5565115333543017 Energy: 0.5831398516785451 Energy: 0.5565115333543017 Energy: 0.5831398516790041 Energy: 0.5565115333538428 Energy: 0.5831398516785451 Energy: 0.583161347306204 Energy: 0.5862737329565771 Energy: 0.5831613473066629 Energy: 0.5862737329565771 Energy: 0.583161347306204 Energy: 0.5862737329565771 Energy: 0.5839153016813122 Energy: 0.5527112490206577 Energy: 0.5839153016808534 Energy: 0.5527112490211166 Energy: 0.5839153016817711 Energy: 0.5527112490215754 Energy: 0.6013368769370125 Energy: 0.5794370913373249 Energy: 0.6013368769360948 Energy: 0.5794370913373249 Energy: 0.6013368769365536 Energy: 0.5794370913368662 Energy: 0.5608681277301847 Energy: 0.5653499037544194 Energy: 0.5608681277311024 Energy: 0.5653499037539605 Energy: 0.5608681277301847 Energy: 0.5653499037544194 Energy: 0.5957263235568464 Energy: 0.5895763908304701 Energy: 0.5957263235568464 Energy: 0.5895763908304701 Energy: 0.5957263235563875 Energy: 0.5895763908304701 Energy: 0.5581277616140007 Energy: 0.5722914787979161 Energy: 0.5581277616144596 Energy: 0.5722914787979161 Energy: 0.5581277616149184 Energy: 0.5722914787979161 Energy: 0.5839009681178979 Energy: 0.5831092520132573 Energy: 0.5839009681174391 Energy: 0.5831092520127985 Energy: 0.5839009681178979 Energy: 0.5831092520127985 Energy: 0.5861937195472791 Energy: 0.5797081607410219 Energy: 0.5861937195477379 Energy: 0.579708160740563 Energy: 0.5861937195477379 Energy: 0.579708160740563 Energy: 0.5541592973801748 Energy: 0.5785612134859935 Energy: 0.5541592973797159 Energy: 0.5785612134859935 Energy: 0.5541592973797159 Energy: 0.5785612134859935 Energy: 0.5899018882663931 Energy: 0.5933200816856204 Energy: 0.589901888266852 Energy: 0.5933200816851616 Energy: 0.5899018882663931 Energy: 0.5933200816856204 Energy: 0.5798648917758246 Energy: 0.5569188821793936 Energy: 0.5798648917758246 Energy: 0.5569188821789348 Energy: 0.5798648917758246 Energy: 0.5569188821793936 Energy: 0.5761764247081982 Energy: 0.5878245075465423 Energy: 0.5761764247081982 Energy: 0.5878245075465423 Energy: 0.576176424708657 Energy: 0.5878245075460833 Energy: 0.5656418255104158 Energy: 0.5531813377557431 Energy: 0.5656418255099569 Energy: 0.5531813377557431 Energy: 0.5656418255104158 Energy: 0.5531813377557431 Energy: 0.5794284387442881 Energy: 0.604138421839662 Energy: 0.5794284387442881 Energy: 0.604138421839662 Energy: 0.5794284387442881 Energy: 0.6041384218392033 minimum gb energy = 0.5527112490206577 eV minimum distance = 2.51198911578807 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 0.5185950243471131 Energy: 0.5075450035996191 Energy: 0.5185950243471131 Energy: 0.5075450035996191 Energy: 0.5185950243471131 Energy: 0.5075450035996191 Energy: 0.5880887356158828 Energy: 0.5329196460383937 Energy: 0.5880887356158828 Energy: 0.5329196460375771 Energy: 0.5880887356166994 Energy: 0.5329196460375771 Energy: 0.5463229800307792 Energy: 0.533134573695362 Energy: 0.5463229800307792 Energy: 0.5331345736961786 Energy: 0.5463229800307792 Energy: 0.533134573695362 Energy: 0.5129980160328801 Energy: 0.5795722534060977 Energy: 0.5129980160328801 Energy: 0.6088307826708452 Energy: 0.5129980160336965 Energy: 0.5271352964327262 Energy: 0.5461667881768314 Energy: 0.5331398825455516 Energy: 0.5461667881768314 Energy: 0.5331398825455516 Energy: 0.5461667881768314 Energy: 0.5331398825455516 Energy: 0.5880822816872182 Energy: 0.5329054866729918 Energy: 0.5880822816864016 Energy: 0.5786981495036975 Energy: 0.5880822816864016 Energy: 0.5654652641010943 Energy: 0.5185950243471131 Energy: 0.5075450036004356 Energy: 0.5185950243479297 Energy: 0.5075450036004356 Energy: 0.5185950243471131 Energy: 0.5075450036004356 Energy: 0.5880887356166994 Energy: 0.5329196460375771 Energy: 0.5880887356166994 Energy: 0.5329196460375771 Energy: 0.5880887356166994 Energy: 0.5329196460375771 Energy: 0.5463229800307792 Energy: 0.533134573695362 Energy: 0.5463229800307792 Energy: 0.533134573695362 Energy: 0.5463229800315957 Energy: 0.533134573695362 Energy: 0.5129980160336965 Energy: 0.5443493476277349 Energy: 0.5129980160336965 Energy: 0.5443493476277349 Energy: 0.5129980160336965 Energy: 0.5443493476277349 Energy: 0.5461667881768314 Energy: 0.533139882544735 Energy: 0.5461667881784644 Energy: 0.533139882544735 Energy: 0.5461667881784644 Energy: 0.533139882544735 Energy: 0.5880822816864016 Energy: 0.5329054866738083 Energy: 0.5880822816864016 Energy: 0.5329054866738083 Energy: 0.5880822816864016 Energy: 0.5329054866738083 Energy: 0.5185950243479297 Energy: 0.5075450035996191 Energy: 0.5185950243479297 Energy: 0.5075450035996191 Energy: 0.5185950243479297 Energy: 0.5075450035996191 Energy: 0.5880887356166994 Energy: 0.5329196460375771 Energy: 0.5880887356158828 Energy: 0.5329196460375771 Energy: 0.5880887356158828 Energy: 0.5329196460367606 Energy: 0.5463229800307792 Energy: 0.533134573695362 Energy: 0.5463229800307792 Energy: 0.533134573695362 Energy: 0.5463229800315957 Energy: 0.5331345736961786 Energy: 0.5129980160336965 Energy: 0.5443493476277349 Energy: 0.5129980160328801 Energy: 0.5443493476277349 Energy: 0.5129980160336965 Energy: 0.5443493476277349 Energy: 0.5461667881768314 Energy: 0.5331398825455516 Energy: 0.5461667881768314 Energy: 0.5331398825455516 Energy: 0.5461667881768314 Energy: 0.5331398825455516 minimum gb energy = 0.5075450035996191 eV minimum distance = 2.58745761741678 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 0.5832019873850308 Energy: 0.5488331896747721 Energy: 0.5832019873850308 Energy: 0.5488331896747721 Energy: 0.5832019873850308 Energy: 0.5488331896747721 Energy: 0.5697227177960292 Energy: 0.5712858541731811 Energy: 0.5697227177953627 Energy: 0.5712858541738478 Energy: 0.5697227177960292 Energy: 0.5712858541738478 Energy: 0.5866634781738425 Energy: 0.564294471167049 Energy: 0.5922029115342429 Energy: 0.564294471167049 Energy: 0.595654561295124 Energy: 0.5642944711663822 Energy: 0.563123095420185 Energy: 0.5971963849195727 Energy: 0.5631230954215183 Energy: 0.597196384918906 Energy: 0.5631230954208517 Energy: 0.5971963849195727 Energy: 0.5616748131342242 Energy: 0.570333443475523 Energy: 0.5616748131348908 Energy: 0.570333443475523 Energy: 0.5616748131355574 Energy: 0.570333443475523 Energy: 0.5650957582501113 Energy: 0.5717229215063582 Energy: 0.5650957582501113 Energy: 0.5717229215056915 Energy: 0.5650957582501113 Energy: 0.5717229215056915 Energy: 0.5626220807660062 Energy: 0.5852084272661793 Energy: 0.5626220807666727 Energy: 0.5852084272655127 Energy: 0.5626220807660062 Energy: 0.5852084272648459 Energy: 0.5610062591156485 Energy: 0.5818897250477725 Energy: 0.5610062591149819 Energy: 0.581889725048439 Energy: 0.5610062591149819 Energy: 0.5818897250477725 Energy: 0.6294552108313971 Energy: 0.5813564175929682 Energy: 0.6294552108313971 Energy: 0.5813564175949681 Energy: 0.6294552108313971 Energy: 0.5813564175929682 Energy: 0.5634008367671296 Energy: 0.5726586733296797 Energy: 0.5634008367671296 Energy: 0.5726586733283464 Energy: 0.5634008367671296 Energy: 0.572658673329013 Energy: 0.5519320783273757 Energy: 0.5718677486094769 Energy: 0.5519320783287089 Energy: 0.5718677486094769 Energy: 0.5519320783273757 Energy: 0.5718677486088101 Energy: 0.5928038784120024 Energy: 0.5778137866819743 Energy: 0.592803878412669 Energy: 0.5778137866819743 Energy: 0.592803878412669 Energy: 0.5778137866819743 Energy: 0.5703744442826915 Energy: 0.5992144086560149 Energy: 0.5703744442813582 Energy: 0.5992144086566816 Energy: 0.5703744442820248 Energy: 0.5992144086566816 Energy: 0.5636485710378807 Energy: 0.5686966109126924 Energy: 0.563648571037214 Energy: 0.5686966109120257 Energy: 0.563648571037214 Energy: 0.5686966109120257 Energy: 0.5919943620948424 Energy: 0.5695716092219001 Energy: 0.591994362095509 Energy: 0.5695716092212334 Energy: 0.591994362095509 Energy: 0.5695716092219001 Energy: 0.5856926425994717 Energy: 0.5660165971840821 Energy: 0.5856926425994717 Energy: 0.5660165971834156 Energy: 0.5856926425994717 Energy: 0.5660165971834156 Energy: 0.5781552053123165 Energy: 0.5668147845976609 Energy: 0.5781552053109831 Energy: 0.5668147845976609 Energy: 0.5781552053116498 Energy: 0.5668147845976609 Energy: 0.6138388670294029 Energy: 0.575578233716261 Energy: 0.6138388670300696 Energy: 0.575578233716261 Energy: 0.6138388670294029 Energy: 0.5755782337155945 Energy: 0.5580550009968038 Energy: 0.5716166512654339 Energy: 0.5580550009968038 Energy: 0.5716166512647672 Energy: 0.5580550009961371 Energy: 0.5716166512654339 Energy: 0.5632022310916165 Energy: 0.5498646229482049 Energy: 0.5632022310909498 Energy: 0.5498646229469019 Energy: 0.5632022310909498 Energy: 0.5498646229488716 Energy: 0.591009572131693 Energy: 0.5762952514343677 Energy: 0.591009572131693 Energy: 0.5762952514343677 Energy: 0.591009572131693 Energy: 0.576295251433701 minimum gb energy = 0.5488331896747721 eV minimum distance = 2.58473780013722 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 0.5826238346910819 Energy: 0.5751452977917486 Energy: 0.565894104975618 Energy: 0.5751452977917486 Energy: 0.5826238346910819 Energy: 0.5751452977923106 Energy: 0.5691789947874615 Energy: 0.5628455644855793 Energy: 0.5691789947874615 Energy: 0.5628455644855793 Energy: 0.5691789947874615 Energy: 0.5628455644850173 Energy: 0.5648844685758044 Energy: 0.56827385549779 Energy: 0.5648844685769283 Energy: 0.56827385549779 Energy: 0.5648844685758044 Energy: 0.56827385549779 Energy: 0.5660527267215587 Energy: 0.6146357068998303 Energy: 0.5660527267215587 Energy: 0.6146357068992684 Energy: 0.5660527267221206 Energy: 0.6146357068992684 Energy: 0.5593342161647907 Energy: 0.5464949109416308 Energy: 0.5593342161647907 Energy: 0.5464949109416308 Energy: 0.5593342161647907 Energy: 0.5464949109410688 Energy: 0.5770681338490796 Energy: 0.5686487450151153 Energy: 0.5770681338485176 Energy: 0.5686487450145533 Energy: 0.5770681338490796 Energy: 0.5686487450145533 Energy: 0.5663804203686884 Energy: 0.5674199804194143 Energy: 0.5663804203681265 Energy: 0.5674199804194143 Energy: 0.5663804203686884 Energy: 0.5674199804205382 Energy: 0.6153164161297806 Energy: 0.5799806291638868 Energy: 0.6153164161286567 Energy: 0.5799806291638868 Energy: 0.6153164161292186 Energy: 0.5799806291633248 Energy: 0.5449152627394159 Energy: 0.5682033790273274 Energy: 0.5449152627394159 Energy: 0.5682033790273274 Energy: 0.5449152627394159 Energy: 0.5682033790267654 Energy: 0.5659853987067508 Energy: 0.5431987603577455 Energy: 0.565985398706189 Energy: 0.5431987603577455 Energy: 0.5659853987067508 Energy: 0.5431987603577455 Energy: 0.5659382984633508 Energy: 0.5692199145529625 Energy: 0.5659382984622269 Energy: 0.5692199145529625 Energy: 0.5659382984633508 Energy: 0.5692199145524005 Energy: 0.5687067545599597 Energy: 0.5683505798038111 Energy: 0.5687067545605217 Energy: 0.5683505798043732 Energy: 0.5687067545599597 Energy: 0.5683505798026873 Energy: 0.582192521943794 Energy: 0.6183639720752202 Energy: 0.5821925219443559 Energy: 0.6183639720757821 Energy: 0.582192521943794 Energy: 0.6183639720740962 Energy: 0.5659608608069473 Energy: 0.5432944905891752 Energy: 0.5659608608075093 Energy: 0.5432944905891752 Energy: 0.5659608608069473 Energy: 0.5432944905891752 Energy: 0.5927298623501838 Energy: 0.5681137097165534 Energy: 0.5927298623501838 Energy: 0.5681137097165534 Energy: 0.5927298623501838 Energy: 0.5681137097171153 Energy: 0.5762000725683274 Energy: 0.5464724866237313 Energy: 0.576200072567229 Energy: 0.5464724866237313 Energy: 0.5762000725683274 Energy: 0.5464724866242932 Energy: 0.5773666211075543 Energy: 0.5640748966875191 Energy: 0.5773666211069923 Energy: 0.5640748966875191 Energy: 0.5773666211069923 Energy: 0.5640748966869571 Energy: 0.6159298380049166 Energy: 0.5597009924311132 Energy: 0.6159298380060406 Energy: 0.5597009924311132 Energy: 0.6159298380054786 Energy: 0.5597009924311132 Energy: 0.5583935080675179 Energy: 0.5597803682454687 Energy: 0.5428016786022148 Energy: 0.5597803682454687 Energy: 0.5583935080675179 Energy: 0.559780368244345 Energy: 0.5826238346910819 Energy: 0.5751452977911866 Energy: 0.5658941049750561 Energy: 0.5751452977911866 Energy: 0.5826238346910819 Energy: 0.5751452977917486 Energy: 0.5691789947868996 Energy: 0.5628455644855793 Energy: 0.5691789947863376 Energy: 0.5628455644855793 Energy: 0.5691789947863376 Energy: 0.5628455644855793 Energy: 0.5648844685769283 Energy: 0.5682738554983519 Energy: 0.5648844685780523 Energy: 0.5682738554983519 Energy: 0.5648844685774903 Energy: 0.5682738554989138 Energy: 0.5660527267221206 Energy: 0.6146357069003923 Energy: 0.5660527267209966 Energy: 0.6146357068998303 Energy: 0.5660527267215587 Energy: 0.6146357069003923 Energy: 0.5593342161642288 Energy: 0.5464949109416308 Energy: 0.5593342161642288 Energy: 0.5464949109416308 Energy: 0.5593342161642288 Energy: 0.5464949109410688 Energy: 0.5770681338490796 Energy: 0.5686487450156772 Energy: 0.5770681338485176 Energy: 0.5686487450151153 Energy: 0.5770681338490796 Energy: 0.5686487450156772 minimum gb energy = 0.5428016786022148 eV minimum distance = 2.6117946467791 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 0.5655617167226461 Energy: 0.5840420203705317 Energy: 0.5655617167231312 Energy: 0.5840420203705317 Energy: 0.5655617167231312 Energy: 0.5840420203710167 Energy: 0.5818791401518344 Energy: 0.5653052482788206 Energy: 0.5818791401518344 Energy: 0.5653052482788206 Energy: 0.5818791401518344 Energy: 0.5653052482783355 Energy: 0.5763118624958252 Energy: 0.541347318104282 Energy: 0.5763118624958252 Energy: 0.5413473180994313 Energy: 0.5763118624963104 Energy: 0.5413473181018567 Energy: 0.5417773434319194 Energy: 0.5849213404053374 Energy: 0.5417773434328677 Energy: 0.5849213404053374 Energy: 0.5417773434324046 Energy: 0.5849213404053374 Energy: 0.5763146458483991 Energy: 0.5867575639342998 Energy: 0.5763146458488841 Energy: 0.5867575639342998 Energy: 0.5763146458479139 Energy: 0.5867575639347848 Energy: 0.5921195590125405 Energy: 0.548149488931887 Energy: 0.5921195590125405 Energy: 0.548149488931887 Energy: 0.5921195590120555 Energy: 0.548149488931887 Energy: 0.5321092416935939 Energy: 0.5801915083276267 Energy: 0.5321092417018403 Energy: 0.5801915083290818 Energy: 0.5321092416901984 Energy: 0.5801915083290818 Energy: 0.5530399655876557 Energy: 0.5806179582231891 Energy: 0.5530399656094621 Energy: 0.5806179582236741 Energy: 0.5530399656017009 Energy: 0.5806179582231891 Energy: 0.6043791997366903 Energy: 0.5346310201901603 Energy: 0.6043791997366903 Energy: 0.5346310201901603 Energy: 0.6043791997371754 Energy: 0.5346310201906453 Energy: 0.5734573526240997 Energy: 0.5767578831183876 Energy: 0.5734573526231296 Energy: 0.5767578831179024 Energy: 0.5734573526236146 Energy: 0.5767578831179024 Energy: 0.5405949526529196 Energy: 0.5811331824960178 Energy: 0.5405949526519493 Energy: 0.5811331824960178 Energy: 0.5405949526534046 Energy: 0.5811331824960178 Energy: 0.5908542707622788 Energy: 0.5428347250176363 Energy: 0.5908542707627639 Energy: 0.5428347250156961 Energy: 0.5908542707622788 Energy: 0.5428347250161811 Energy: 0.5782942902935311 Energy: 0.5640622829608021 Energy: 0.5782942902935311 Energy: 0.5640622829612871 Energy: 0.5782942902935311 Energy: 0.5640622829612871 Energy: 0.546869089975211 Energy: 0.5855854441486772 Energy: 0.546869089975211 Energy: 0.5855854441486772 Energy: 0.546869089975211 Energy: 0.5855854441486772 Energy: 0.5844499499414546 Energy: 0.5451332446171088 Energy: 0.5844499499414546 Energy: 0.5451332154496701 Energy: 0.5844499499419397 Energy: 0.5451332075013063 Energy: 0.5735285016992536 Energy: 0.5346587617603418 Energy: 0.5735285016987685 Energy: 0.5346587617651926 Energy: 0.5735285016992536 Energy: 0.5346587617661627 Energy: 0.546507423233304 Energy: 0.585040110232225 Energy: 0.5465074232337892 Energy: 0.585040110232225 Energy: 0.5465074232323339 Energy: 0.585040110232225 Energy: 0.5784375852460406 Energy: 0.577003114383112 Energy: 0.5784375852455556 Energy: 0.5770031149426279 Energy: 0.5784375852460406 Energy: 0.5770031142638267 Energy: 0.5876033814950956 Energy: 0.5473950825915956 Energy: 0.5876033814950956 Energy: 0.5473950825906255 Energy: 0.5876033814950956 Energy: 0.5473950825915956 Energy: 0.5544774745354887 Energy: 0.5837266706663522 Energy: 0.5544774745350035 Energy: 0.5837266706663522 Energy: 0.5544774745350035 Energy: 0.5837266706663522 Energy: 0.5422652817586465 Energy: 0.5806072218306727 Energy: 0.542249956234122 Energy: 0.5806072218306727 Energy: 0.542253546458886 Energy: 0.5806072218301876 Energy: 0.6048863349056565 Energy: 0.5413693867705757 Energy: 0.6048863349056565 Energy: 0.5413693867715459 Energy: 0.6048863349051713 Energy: 0.5413693867705757 Energy: 0.5911861244886586 Energy: 0.5730594091538074 Energy: 0.5911861244881735 Energy: 0.5730594091538074 Energy: 0.5911861244876885 Energy: 0.5730594091538074 Energy: 0.5619034511964375 Energy: 0.5805652383492699 Energy: 0.5619034511964375 Energy: 0.5805652383492699 Energy: 0.5619034511954674 Energy: 0.5805652383492699 Energy: 0.5769931068216391 Energy: 0.5413511309616824 Energy: 0.5769931068216391 Energy: 0.541351130965078 Energy: 0.5769931068216391 Energy: 0.5413511309641078 Energy: 0.5795474750772884 Energy: 0.5487047577661338 Energy: 0.5795474750768034 Energy: 0.5487047582442227 Energy: 0.5795474750772884 Energy: 0.5487047577928131 Energy: 0.5353611785875404 Energy: 0.5844489120169224 Energy: 0.5353611785875404 Energy: 0.5844489120169224 Energy: 0.5353611785880256 Energy: 0.5844489120174075 Energy: 0.5809857224978714 Energy: 0.557970176161638 Energy: 0.5809857224978714 Energy: 0.5579701761548468 Energy: 0.5809857224978714 Energy: 0.5579701761480557 Energy: 0.5778208962029274 Energy: 0.5476712823051876 Energy: 0.5778208962029274 Energy: 0.5476712823047245 Energy: 0.5778208962029274 Energy: 0.5476712823047245 minimum gb energy = 0.5321092416901984 eV minimum distance = 2.5831743426927 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 0.527706513357978 Energy: 0.5844421550922557 Energy: 0.5277065133584046 Energy: 0.5844421550922557 Energy: 0.5277065133584046 Energy: 0.5844421550922557 Energy: 0.5605201238512513 Energy: 0.5439756486028641 Energy: 0.5605201203507146 Energy: 0.5406229162299754 Energy: 0.5605201215343258 Energy: 0.5321423193787392 Energy: 0.582831286068734 Energy: 0.5149366396365153 Energy: 0.582831286068734 Energy: 0.514936639640353 Energy: 0.582831286068734 Energy: 0.514936639630972 Energy: 0.5000536516915098 Energy: 0.5632576322555106 Energy: 0.5000536516915098 Energy: 0.5918627785650185 Energy: 0.5000536516910834 Energy: 0.5834297113718956 Energy: 0.5385277308096663 Energy: 0.5483066369580191 Energy: 0.5385277308092399 Energy: 0.5483066369580191 Energy: 0.5385277308088136 Energy: 0.5483066369575926 Energy: 0.5855822165568445 Energy: 0.5096389328448594 Energy: 0.585582216556418 Energy: 0.509638932844433 Energy: 0.585582216556418 Energy: 0.5096389328448594 Energy: 0.5337390184081328 Energy: 0.5537798462142276 Energy: 0.533739018404295 Energy: 0.5537798462074244 Energy: 0.5337390184102647 Energy: 0.5537798462087037 Energy: 0.50021670075681 Energy: 0.5542071188723702 Energy: 0.50021670075681 Energy: 0.581796181166431 Energy: 0.5002167007563836 Energy: 0.5679328502266873 Energy: 0.5840308408026865 Energy: 0.5103902745382544 Energy: 0.5840308408026865 Energy: 0.5103902745378279 Energy: 0.5840308408026865 Energy: 0.5103902745378279 Energy: 0.5336677612979416 Energy: 0.562513718554021 Energy: 0.5336677612987943 Energy: 0.5526980765609091 Energy: 0.5336677612979416 Energy: 0.5647173936734855 Energy: 0.4989192417981038 Energy: 0.6210639571427063 Energy: 0.49891924179767744 Energy: 0.6210639571427063 Energy: 0.4989192417981038 Energy: 0.6210639571427063 Energy: 0.5688234766373041 Energy: 0.5238702322737641 Energy: 0.5688234766364514 Energy: 0.5238702322724847 Energy: 0.5688234766364514 Energy: 0.5238702322737641 Energy: 0.5715291375555235 Energy: 0.5151848292609695 Energy: 0.5715291375555235 Energy: 0.5151848293001797 Energy: 0.5715291375555235 Energy: 0.5151848294203686 Energy: 0.5303961143884759 Energy: 0.564429854446545 Energy: 0.5303961143884759 Energy: 0.5761024943459461 Energy: 0.5303961143884759 Energy: 0.5724274990025332 Energy: 0.5612317655905731 Energy: 0.5481409984228115 Energy: 0.5612317655909994 Energy: 0.5481409984232379 Energy: 0.5612317655909994 Energy: 0.5481409984228115 Energy: 0.5844570219868924 Energy: 0.5163052342838551 Energy: 0.5844570219864659 Energy: 0.5163052342834288 Energy: 0.5844570219868924 Energy: 0.5163052342838551 Energy: 0.49945167682154007 Energy: 0.5615555148927602 Energy: 0.4994516768189817 Energy: 0.5615555148927602 Energy: 0.49945167682026087 Energy: 0.5615555148927602 Energy: 0.4970259052460124 Energy: 0.5797779110431738 Energy: 0.4970259052481445 Energy: 0.5797779110431738 Energy: 0.4970259052489973 Energy: 0.5797779110431738 Energy: 0.5841558250141776 Energy: 0.5105176493056114 Energy: 0.5841558250137512 Energy: 0.510517649305185 Energy: 0.5841558250141776 Energy: 0.510517649305185 Energy: 0.5336377187671362 Energy: 0.5580196971929555 Energy: 0.533637718767989 Energy: 0.5580196971925291 Energy: 0.5336377187671362 Energy: 0.5580196971912499 Energy: 0.5059008204805133 Energy: 0.6099960001143929 Energy: 0.5059008204805133 Energy: 0.6099960001143929 Energy: 0.5059008204809397 Energy: 0.6099960001143929 Energy: 0.575079013757502 Energy: 0.5098060207786319 Energy: 0.5750790137579286 Energy: 0.5098060207773528 Energy: 0.5750790137579286 Energy: 0.5098060207773528 Energy: 0.5746003320009108 Energy: 0.5072152295690968 Energy: 0.5746003320004843 Energy: 0.5072152293768644 Energy: 0.5746003320004843 Energy: 0.5072152292221365 Energy: 0.500032925793727 Energy: 0.5872388767658601 Energy: 0.5000329257933007 Energy: 0.5872388767658601 Energy: 0.500032925793727 Energy: 0.5872388767658601 Energy: 0.5689877628997766 Energy: 0.5460436498854405 Energy: 0.5689877628993503 Energy: 0.5460436498850141 Energy: 0.5689877628997766 Energy: 0.5460436498850141 Energy: 0.574915776877032 Energy: 0.5162081166998629 Energy: 0.574915776877032 Energy: 0.5162081166994364 Energy: 0.5749157768774583 Energy: 0.5162081166998629 Energy: 0.5278660685211585 Energy: 0.5641703652037533 Energy: 0.5278660685151887 Energy: 0.5641703652037533 Energy: 0.5278660685151887 Energy: 0.5641703652037533 Energy: 0.5284877996316178 Energy: 0.5680276747752839 Energy: 0.5284915980421065 Energy: 0.5680276747752839 Energy: 0.5285149072590387 Energy: 0.5680276747757104 Energy: 0.5872378928784281 Energy: 0.51478738200345 Energy: 0.5872378928780017 Energy: 0.5147873820025972 Energy: 0.5872378928784281 Energy: 0.51478738200345 Energy: 0.49772853721640903 Energy: 0.5679434759842211 Energy: 0.4977285367411776 Energy: 0.5679434759837947 Energy: 0.49772853708556003 Energy: 0.5679434759842211 Energy: 0.49949333362817755 Energy: 0.5699584150329151 Energy: 0.49949333362945675 Energy: 0.5699584150329151 Energy: 0.49949333362945675 Energy: 0.5699584150329151 Energy: 0.5748112932807282 Energy: 0.5098383567885103 Energy: 0.5748112932803018 Energy: 0.5098383567880839 Energy: 0.5748112932807282 Energy: 0.5098383567885103 Energy: 0.5717479466047091 Energy: 0.5072750527433094 Energy: 0.5717479466051162 Energy: 0.5072750527560823 Energy: 0.5717479466047091 Energy: 0.507275052743736 minimum gb energy = 0.4970259052460124 eV minimum distance = 2.59909845917721 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.011733830870461311 Energy: 0.39261475031116544 Energy: 0.011733830870461311 Energy: 0.3926147503108112 Energy: 0.011733830870461311 Energy: 0.39261475031150006 Energy: 0.013135554827182231 Energy: 0.175187778934272 Energy: 0.013135554826827942 Energy: 0.175187778934272 Energy: 0.013135554826827942 Energy: 0.1751877789346066 Energy: 0.39295883837456014 Energy: 0.1755212696133372 Energy: 0.3929467962745866 Energy: 0.17552145805821792 Energy: 0.3929579199563691 Energy: 0.17552116048867034 Energy: 0.013135554827182231 Energy: 0.175187778934272 Energy: 0.013135554826827942 Energy: 0.175187778934272 Energy: 0.013135554827182231 Energy: 0.175187778934272 minimum gb energy = 0.011733830870461311 eV minimum distance = 2.83530856683076 Angstroms sigma value = 1