Model name: model_name=EAM_Dynamo_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_005 a1: a1=[-1, 1, 0] a2: a2=[0, 0, 1] a3: a3=[1, 1, 0] Species: species=Ni Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.452464193105698 cohesive_energy=4.501689179231084 mass=58.6934 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=180.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.6157470700899797e-19, 2.30461893564462e-19, 2.93930518743738e-19, 3.6430933174545594e-19, 4.1978629987433996e-19, 4.61734488505728e-19, 4.95936153111726e-19, 5.256949819116419e-19, 5.53290872255658e-19, 5.793695013272759e-19, 6.03173039578614e-19, 6.238795703964299e-19, 6.41333682647226e-19, 6.55822165948488e-19, 6.677744036381279e-19, 6.77741544478242e-19, 6.86334017766384e-19, 6.9405490696563e-19, 7.011717755738579e-19, 7.076557844116559e-19, 7.13239369981146e-19, 7.17552429479874e-19, 7.20268118874504e-19, 7.211941769689559e-19, 7.201655795699279e-19, 7.168314499945739e-19, 7.108505246198519e-19, 7.019199920619359e-19, 6.897338365837318e-19, 6.7393957932576e-19, 6.540469542380159e-19, 6.293205622454939e-19, 5.98691751533316e-19, 5.60739391427124e-19, 5.13904564062036e-19, 4.57040110968108e-19, 3.8937858953765396e-19, 3.09373899318864e-19, 2.1228680182836597e-19, 8.864570945894219e-20, -7.340083856876879e-20, -2.85105729843666e-19, -5.58682196629068e-19, -9.10478528862984e-19, -1.3614592078013038e-18, -1.94991305064336e-18, -2.74342307216454e-18, -3.83514623057214e-18] 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: 2.47646694817583e-12 eV ======================================== theta = 0.0 ======================================== Energy: 0.019034207705806355 Energy: 0.019466250419290912 Energy: 0.019814932950860786 Energy: 0.019291619332483047 Energy: 0.5110571313323987 Energy: 0.01973517156402294 Energy: 0.019466250419290912 Energy: 0.1625759360809516 Energy: 0.1624852370158802 Energy: 0.16235840047387784 Energy: 0.16220405398875154 Energy: 0.16269310417966504 Energy: 0.019814932950860786 Energy: 0.16248523701622403 Energy: 0.1627626746323793 Energy: 0.019147044510195006 Energy: 0.1622682857043822 Energy: 0.16389927535368828 Energy: 0.019291619332826877 Energy: 0.16235840047387784 Energy: 0.019147044510844466 Energy: 0.0193470261846413 Energy: 0.16233095184289914 Energy: 0.019794194878274874 Energy: 0.5110571313249873 Energy: 0.16220405398875154 Energy: 0.16226828570472604 Energy: 0.1623309518425553 Energy: 0.16219007036258465 Energy: 0.16246724916898664 Energy: 0.019735171563679106 Energy: 0.16269310417966504 Energy: 0.1638992753540321 Energy: 0.019794194878274874 Energy: 0.16246724916864283 Energy: 0.019265205167355037 minimum gb energy = 0.019034207705806355 eV minimum distance = 2.43881547473276 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 1.3689477919932518 Energy: 1.0964695579258472 Energy: 1.1140082637797384 Energy: 1.08567155189631 Energy: 1.0342536143344672 Energy: 1.1074529982969774 Energy: 1.2653720179361598 Energy: 1.0198529785577413 Energy: 1.0191497156442353 Energy: 1.0432157532568838 Energy: 1.020034112477003 Energy: 1.036997978225699 Energy: 1.224381940496819 Energy: 1.0244365050763198 Energy: 1.0224634713598237 Energy: 1.0328143655294473 Energy: 1.0248170916141084 Energy: 1.0218979979158167 Energy: 1.2255807536996204 Energy: 1.0207286482480467 Energy: 1.020551077260123 Energy: 1.0212988631440205 Energy: 1.0281725395954737 Energy: 1.0025800086211598 Energy: 1.2406562843081568 Energy: 1.045254085167841 Energy: 1.0456087417720206 Energy: 1.054791801978078 Energy: 1.0313681334264517 Energy: 1.040776109404355 Energy: 1.2399883717819011 Energy: 1.0454237917603166 Energy: 1.047079632128707 Energy: 1.0424870882952777 Energy: 1.0329548003682245 Energy: 1.041516909671518 Energy: 1.2123093224070502 Energy: 1.0746107556796598 Energy: 1.0408533941160873 Energy: 1.0410287235526434 Energy: 1.0993827945763766 Energy: 1.0417690934256287 Energy: 1.1726350517425088 Energy: 1.0421631128056348 Energy: 1.0422695813641587 Energy: 1.1068984529360146 Energy: 1.044092037381365 Energy: 1.040080175934661 Energy: 1.0178786114940614 Energy: 1.0392415277214 Energy: 1.040584784375765 Energy: 1.0177268841179297 Energy: 1.0413222575099919 Energy: 1.046058558915301 Energy: 1.0169082212652276 Energy: 1.0548077452854008 Energy: 1.0576506839724735 Energy: 1.0170422637380347 Energy: 1.0543152459690506 Energy: 1.0472599036843804 Energy: 1.1578493176169802 Energy: 1.0200521796074762 Energy: 1.0194695101121325 Energy: 1.1579680509060768 Energy: 1.0193509336516624 Energy: 1.0205302188071441 Energy: 1.0243535907574477 Energy: 1.0298028452262926 Energy: 1.0277387408679541 Energy: 1.0243014738386698 Energy: 1.0415465909258095 Energy: 1.024822732466379 Energy: 1.0219796866411017 Energy: 1.0429942602337865 Energy: 1.0419600522864583 Energy: 1.0218271751378638 Energy: 1.0360892571871714 Energy: 1.03139962946121 Energy: 1.018999909864746 Energy: 1.0153323474125642 Energy: 1.014595741175311 Energy: 1.0186880072504572 Energy: 1.015744857276224 Energy: 1.0142037008597449 Energy: 1.0139257966198818 Energy: 1.0733247019126195 Energy: 1.0739204166793832 Energy: 1.0141730417169876 Energy: 1.0628961875691898 Energy: 1.0319588528229997 Energy: 1.014942884581595 Energy: 1.0277982301001216 Energy: 1.0123245418989926 Energy: 1.0145009377029663 Energy: 1.0158543103507733 Energy: 1.0121418168455871 Energy: 1.1030359293012175 Energy: 1.0344409885637973 Energy: 1.0338150448156602 Energy: 1.0760803679685926 Energy: 1.0352562222877395 Energy: 1.0127601693215642 Energy: 1.1114928626613985 Energy: 1.073980973507501 Energy: 1.054246395811648 Energy: 1.0687973272027917 Energy: 1.0863556552207256 Energy: 1.0539470160424884 Energy: 1.1153936812015197 Energy: 1.0562442116744235 Energy: 1.0518482222309273 Energy: 1.0650223064443776 Energy: 1.0540215066301382 Energy: 1.0502144456880167 Energy: 1.1113653320866672 Energy: 1.0578478547334207 Energy: 1.0528824700984845 Energy: 1.0885171712787858 Energy: 1.0542715536186948 Energy: 1.0742326923973196 Energy: 1.3301741060663432 Energy: 1.0316618540729374 Energy: 1.0237357970034335 Energy: 1.0250549604050336 Energy: 1.0464725458490198 Energy: 1.0231142650949057 Energy: 1.1743090770095428 Energy: 1.0131728508593099 Energy: 1.0141473843744917 Energy: 1.0844193250203447 Energy: 1.0152288501163176 Energy: 1.014174749659459 Energy: 1.2667910705733958 Energy: 1.0121551719338393 Energy: 1.0216679606280918 Energy: 1.0604685103211815 Energy: 1.0138659793956588 Energy: 1.038348970669187 minimum gb energy = 1.0025800086211598 eV minimum distance = 2.20476631840036 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 1.6239371599854269 Energy: 1.1152516106362476 Energy: 1.059190404470204 Energy: 1.062070465361762 Energy: 1.021752137266136 Energy: 1.1185041354731793 Energy: 1.081798905269335 Energy: 1.0231685620043325 Energy: 1.023688926488272 Energy: 1.0363373086477259 Energy: 1.0234877272559724 Energy: 1.0194319428391492 Energy: 1.1817141932711135 Energy: 1.019733068279575 Energy: 1.01706425530283 Energy: 1.0244507703503865 Energy: 1.0310736125850979 Energy: 1.080048664808406 Energy: 1.3408288953596752 Energy: 1.0910536912542204 Energy: 1.1046354326231007 Energy: 1.0108321850113204 Energy: 1.1048726961435502 Energy: 1.0084723329107126 Energy: 1.2310879484361594 Energy: 1.1022319311648352 Energy: 1.050420085365774 Energy: 1.0465486943476046 Energy: 1.0984596969651375 Energy: 1.1013251839169196 Energy: 1.2505766086397676 Energy: 1.1116132985204341 Energy: 1.1034504897015154 Energy: 1.1073149800482507 Energy: 1.104787417759939 Energy: 1.1067085995448345 Energy: 1.2195690256287819 Energy: 1.10204491549653 Energy: 1.1008608519505643 Energy: 1.1023493403477245 Energy: 1.064326101266684 Energy: 1.0615669845691755 Energy: 1.2388832583531237 Energy: 1.027896553236633 Energy: 1.0266479192630076 Energy: 1.1160685931417356 Energy: 1.0611704794518018 Energy: 1.0339564235602154 Energy: 1.0592398546094282 Energy: 1.0252407773322452 Energy: 1.1064485207495494 Energy: 1.053713491430299 Energy: 1.0271510765049732 Energy: 1.0685816195779516 Energy: 1.0539259380332175 Energy: 1.0792186671830146 Energy: 1.0478441403570047 Energy: 1.0542324202325024 Energy: 1.0642908795253876 Energy: 1.0595642910980547 Energy: 1.1459535844849817 Energy: 0.9981296091272621 Energy: 0.9977305499598349 Energy: 1.1368943794526027 Energy: 0.9717008535092801 Energy: 0.971223314130184 Energy: 1.051552457218881 Energy: 1.0108882068667187 Energy: 1.055205444807703 Energy: 1.0527781338899398 Energy: 1.0060892367318448 Energy: 1.0481676462852523 Energy: 1.0456256011222076 Energy: 1.0775838155800763 Energy: 1.075377533966658 Energy: 1.0514173785926493 Energy: 1.073972450051225 Energy: 1.045001119320935 Energy: 1.2332341087726193 Energy: 1.0076369211561993 Energy: 1.0089519893951777 Energy: 1.2324717061158588 Energy: 1.0084546241870502 Energy: 1.007041608022141 Energy: 1.10401635226954 Energy: 1.0897124556432787 Energy: 1.0974737119503235 Energy: 1.0967645758735038 Energy: 1.0978134274137752 Energy: 1.0788699034146623 Energy: 1.1093957134206702 Energy: 1.1067313136438732 Energy: 1.1063986742920815 Energy: 1.1044003089131351 Energy: 1.102888190454479 Energy: 1.103220454013389 Energy: 1.2853797451959044 Energy: 1.096741095105083 Energy: 1.0943072197348638 Energy: 1.0577182104725522 Energy: 1.0939897098366305 Energy: 1.0942353790174784 Energy: 1.0916415287864287 Energy: 1.0989071390209983 Energy: 1.0975635565410509 Energy: 1.0606290916726928 Energy: 1.1026538151630805 Energy: 1.0327034426352057 Energy: 1.0796368106095837 Energy: 1.0876206624760498 Energy: 1.084161249339681 Energy: 1.0579762914076227 Energy: 1.0852066784338876 Energy: 1.0858227601296593 Energy: 1.2009930796399293 Energy: 1.0814686076785323 Energy: 1.0843376036673933 Energy: 1.0948348775421068 Energy: 1.0726369234865711 Energy: 1.0778723952733729 Energy: 1.452576543650938 Energy: 1.0825516467648388 Energy: 0.9713511142470708 Energy: 0.9732637931884688 Energy: 1.1089726643086701 Energy: 0.9726419369403217 Energy: 0.9985682116576325 Energy: 1.0817976335005075 Energy: 1.084851548472302 Energy: 0.9863498056697076 Energy: 1.0855431798066144 Energy: 1.066068201003522 Energy: 1.2045323495894644 Energy: 1.0708214647230228 Energy: 1.0703701952755964 Energy: 1.1132842021319718 Energy: 1.0704154808582185 Energy: 1.0801301972619652 Energy: 1.3392122099352952 Energy: 1.2338780503716187 Energy: 1.0864200258193661 Energy: 1.0069952555813004 Energy: 1.2324418566348618 Energy: 1.0735248031529305 Energy: 1.161557297201085 Energy: 1.0961692265949092 Energy: 1.0946282733268493 Energy: 1.1274998626431052 Energy: 1.0897930595810175 Energy: 1.096264832548394 Energy: 1.2256819258534424 Energy: 1.0979873013899657 Energy: 1.1041300747178242 Energy: 1.0941316146468119 Energy: 1.100076613986384 Energy: 1.1031057943812002 Energy: 1.3441179988268293 Energy: 1.0592021053338352 Energy: 1.0589840099877768 Energy: 1.099583981166067 Energy: 1.0802024822959848 Energy: 1.0996726206042378 Energy: 1.237827992354093 Energy: 1.02644716559854 Energy: 1.0287922485695553 Energy: 1.1037532465466102 Energy: 1.0571411267095618 Energy: 1.1016877331031851 Energy: 1.0531769919838048 Energy: 1.0270634921240633 Energy: 1.026282555329587 Energy: 1.054085299583022 Energy: 1.0277474068831645 Energy: 1.0636861442872636 Energy: 1.050590843691699 Energy: 1.0653409219939072 Energy: 1.066319008938267 Energy: 1.0501608642841576 Energy: 1.0808196597291242 Energy: 1.053324145570097 Energy: 1.0501520740122783 Energy: 0.9754303441823106 Energy: 0.9779652740743611 Energy: 1.050453533415837 Energy: 0.9956070213202767 Energy: 0.9987153163840838 Energy: 1.0609513433178128 Energy: 0.9724113589703135 Energy: 0.9708510394667872 Energy: 1.0608945340332314 Energy: 1.0085428505382046 Energy: 1.0333560054463422 Energy: 1.0494629353923202 Energy: 1.0564776449897944 Energy: 1.06077018217318 Energy: 1.0476300501659022 Energy: 1.098564109503663 Energy: 1.0477368676626337 Energy: 1.052207222485388 Energy: 1.0073238417418284 Energy: 1.0068645963682092 Energy: 1.0492107257548733 Energy: 1.008580557437709 Energy: 1.074787748693919 Energy: 1.1039733314902096 Energy: 1.058763053899519 Energy: 1.0879086920175347 Energy: 1.1044604297290046 Energy: 1.1046953190714592 Energy: 1.0975748221544814 Energy: 1.103047860017429 Energy: 1.1055908452888756 Energy: 1.1035888763374415 Energy: 1.0999668674171397 Energy: 1.0972666300614868 Energy: 1.1065073003291332 Energy: 1.104107448629016 Energy: 1.1073539138294963 Energy: 1.1053958261901504 Energy: 1.1246484508900123 Energy: 1.1069296051394597 Energy: 1.1058772364864569 Energy: 1.0804033800969377 Energy: 1.10758062578309 Energy: 1.033159686890281 Energy: 1.0569516777181007 Energy: 1.1202521321151708 Energy: 1.1297793086073604 Energy: 1.089671670956709 Energy: 1.0455420766708239 Energy: 1.0352779203413327 Energy: 1.091990041024813 Energy: 1.0398325194150049 Energy: 1.0270971418001482 Energy: 1.2343774613108602 Energy: 1.0303059702357786 Energy: 1.0354177704526115 Energy: 1.0470589655416624 Energy: 1.0250377114325924 Energy: 1.0300064944537037 Energy: 1.0799944000202917 Energy: 1.02253412618533 Energy: 0.9752559017098117 Energy: 0.9752744849510513 Energy: 1.0351709880660718 Energy: 1.0164842853967315 minimum gb energy = 0.9708510394667872 eV minimum distance = 2.25942768285467 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 1.453335619901983 Energy: 1.0593582340247925 Energy: 1.059158248279725 Energy: 1.0325709258134865 Energy: 1.0031370158232427 Energy: 1.0330399643061021 Energy: 1.1849652281449172 Energy: 0.9975716463128506 Energy: 0.9972797808904541 Energy: 1.065009911323922 Energy: 0.9978049413501046 Energy: 0.9969348154279241 Energy: 1.0574975429519737 Energy: 1.0105275102757458 Energy: 0.9976989217758632 Energy: 1.0267492076905556 Energy: 0.9993464859296567 Energy: 0.9977670069477879 Energy: 1.295565040003694 Energy: 0.99802916088924 Energy: 0.9959291716262896 Energy: 0.9819966896815748 Energy: 1.138945592435095 Energy: 0.981141398889484 Energy: 1.0729239874670355 Energy: 1.0292951597225264 Energy: 1.0303910378304497 Energy: 1.063779063249226 Energy: 1.0300901909014826 Energy: 1.0302003028028746 Energy: 1.0691988014607698 Energy: 1.0266646716399574 Energy: 1.0252569333571577 Energy: 1.0289761434831857 Energy: 1.0281669175115107 Energy: 1.0237715341536564 Energy: 1.0701992090730492 Energy: 1.0295909869229514 Energy: 1.0271859951697633 Energy: 1.0290306355031353 Energy: 1.0237756313182693 Energy: 1.0289925963516302 Energy: 1.0127613538832976 Energy: 0.961156951659711 Energy: 0.9602848622899567 Energy: 1.0073936553234557 Energy: 0.9591839317652435 Energy: 0.9599174646716975 Energy: 0.995878351764778 Energy: 0.9624688289093363 Energy: 0.959930521874502 Energy: 0.995809981560052 Energy: 0.9611935494021699 Energy: 0.992669037779815 Energy: 0.9975069046026237 Energy: 1.0090414224296573 Energy: 0.9955156975469155 Energy: 0.9974978254020145 Energy: 1.0252378314937949 Energy: 0.9965530872857353 Energy: 1.0023952074643494 Energy: 0.9787262544586884 Energy: 0.9785113873781519 Energy: 0.9988050548334966 Energy: 0.9793473028199818 Energy: 0.9788451682425426 Energy: 0.97865338692092 Energy: 1.0087832437494524 Energy: 0.9977658598453211 Energy: 0.9785375532970125 Energy: 1.0629411700518996 Energy: 0.9968137776902074 Energy: 0.9757601320918147 Energy: 0.9937644157068375 Energy: 0.9941707095899134 Energy: 0.9791429626054771 Energy: 0.9946566411881403 Energy: 0.9945514854715466 Energy: 0.9935946231556827 Energy: 0.9784694028827041 Energy: 0.9781286882409368 Energy: 0.9929381450525138 Energy: 0.9775513411043335 Energy: 0.9946948121567608 Energy: 1.1449140990566828 Energy: 1.0329753463686824 Energy: 0.9940397378616662 Energy: 1.0062430997667682 Energy: 1.0369900768439244 Energy: 0.9949867537307461 Energy: 1.144662694402016 Energy: 0.993592393534669 Energy: 0.9944019129570842 Energy: 1.0055675140785743 Energy: 0.975602102016183 Energy: 1.0063340580227753 Energy: 1.068889843101774 Energy: 0.9945302896126778 Energy: 0.9941493122679024 Energy: 1.0352774079551765 Energy: 0.9775453392911411 Energy: 0.9941546214034382 Energy: 1.3815388706579692 Energy: 1.004642322347775 Energy: 1.0042505212543416 Energy: 0.9509178815341272 Energy: 0.9978998869562067 Energy: 1.0039897435187195 minimum gb energy = 0.9509178815341272 eV minimum distance = 2.2938827298588 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 1.2236114069597805 Energy: 0.8502566087182118 Energy: 0.8506131554543578 Energy: 0.8494221419159899 Energy: 0.8268651885075609 Energy: 0.8505000058405189 Energy: 0.7786077793054313 Energy: 0.8283824426943742 Energy: 0.8282770996336599 Energy: 0.8761217608392796 Energy: 0.8281001097455222 Energy: 0.8274583124028249 Energy: 1.0125103650923974 Energy: 0.8284826703946738 Energy: 0.8279821681066952 Energy: 0.876460198705245 Energy: 0.8275397242950306 Energy: 0.8282731425975439 Energy: 0.9778073827629273 Energy: 0.8291053525176852 Energy: 0.830161443999732 Energy: 0.8554998416227938 Energy: 0.991875774974522 Energy: 0.8308285649024119 Energy: 0.9897633114556944 Energy: 0.8269389835273591 Energy: 0.8757195685480815 Energy: 0.8044637208120596 Energy: 0.8296342142300607 Energy: 0.8771955448381429 Energy: 1.0301800995870565 Energy: 0.7802844721061385 Energy: 0.8743400855470751 Energy: 0.8751465668409517 Energy: 0.7800859887904523 Energy: 0.8746375714385367 Energy: 1.0297720785652966 Energy: 0.8769210500025789 Energy: 0.875420489186798 Energy: 0.8749035069227699 Energy: 0.830516638254302 Energy: 0.8757170483868881 Energy: 0.9937708075262521 Energy: 0.7817712997098932 Energy: 0.7815051666460205 Energy: 0.9915764203556954 Energy: 0.7812009061872939 Energy: 0.7805378943918677 Energy: 0.8266442736732943 Energy: 0.7799139672540686 Energy: 0.7794770600472346 Energy: 0.8266666521730912 Energy: 0.7800093310175357 Energy: 0.7792563317797356 Energy: 0.8275895183440468 Energy: 0.8293847329587994 Energy: 0.8293818639377561 Energy: 0.8291335871453833 Energy: 0.8763132695648147 Energy: 0.8266647557554723 Energy: 0.8272801988625607 Energy: 0.8554610428417064 Energy: 0.8554040829600238 Energy: 0.8273259187688216 Energy: 0.8561244891423612 Energy: 0.8295521227474625 Energy: 0.9844894549815069 Energy: 0.8758973079452859 Energy: 0.8752711532596267 Energy: 0.8267395869886834 Energy: 0.8760511551073215 Energy: 0.8279822673440328 Energy: 0.7789890415569276 Energy: 0.8744649144007159 Energy: 0.8763522104098403 Energy: 0.7792054766078856 Energy: 0.8751945896680702 Energy: 0.8758750311183383 Energy: 1.011620631788267 Energy: 0.8750314657438983 Energy: 0.8749734405603539 Energy: 0.8273720020264561 Energy: 0.8749945693288841 Energy: 0.8748666881766011 Energy: 1.2024961828913185 Energy: 0.827649681771585 Energy: 0.8277212033217948 Energy: 0.7800253833570796 Energy: 0.8297753860447028 Energy: 0.7795195648204383 Energy: 1.2072435233061563 Energy: 0.8285606993617733 Energy: 0.7796443824917814 Energy: 0.7818681584139562 Energy: 0.828415849798189 Energy: 0.7814907946646512 Energy: 0.9915260564801289 Energy: 0.8286119524045361 Energy: 0.8278828811980621 Energy: 0.8043361164118299 Energy: 0.8287824879669722 Energy: 0.8280641653672309 Energy: 0.9803968112263024 Energy: 0.8298311531730387 Energy: 0.8296149450734376 Energy: 0.8561034474465197 Energy: 0.829672663006609 Energy: 0.8298809110534023 Energy: 0.9784850064693009 Energy: 0.8299852865906088 Energy: 0.828505863808155 Energy: 0.8559406257659153 Energy: 0.8280750698108741 Energy: 0.8287663559673535 Energy: 0.9858454503609034 Energy: 0.7801016829206215 Energy: 0.8776312556972249 Energy: 0.8286868123744049 Energy: 0.779983933271241 Energy: 0.8744311078408691 Energy: 1.0278924131809062 Energy: 0.8763837071813716 Energy: 0.8735494400495484 Energy: 0.8768426825314735 Energy: 0.8277331550259842 Energy: 0.8744861192749704 Energy: 0.9945759046820154 Energy: 0.8770128817673214 Energy: 0.8740846971967045 Energy: 0.8286042031870048 Energy: 0.8047201148154408 Energy: 0.8752295187418246 Energy: 0.9937286504798551 Energy: 0.7793194635161501 Energy: 0.7799849885219073 Energy: 0.9933523078270559 Energy: 0.7787264727097064 Energy: 0.8510069111899607 Energy: 0.8290139633356362 Energy: 0.8773469079125876 Energy: 0.828217317840024 Energy: 0.8288304883189169 Energy: 0.8438585220728501 Energy: 0.8291957808625833 Energy: 0.8279674237368106 Energy: 0.8303551795151671 Energy: 0.8284719242021311 Energy: 0.828077984108264 Energy: 0.8754275818485002 Energy: 0.8283818690322055 Energy: 0.986349466488596 Energy: 0.8549328154589344 Energy: 0.8548993633355435 Energy: 0.9940277942064695 Energy: 0.8553475364496851 Energy: 0.8301945184347703 Energy: 1.0707867654803942 Energy: 0.8753078510007781 Energy: 0.8766656688999257 Energy: 0.8283823077539886 Energy: 0.875953783050175 Energy: 0.8776779202734727 Energy: 0.7796097523103136 Energy: 0.8753164466753357 Energy: 0.8749672357103545 Energy: 0.7798396800022199 Energy: 0.8746702840736769 Energy: 0.8758760401743598 Energy: 0.9880151567413363 Energy: 0.8757655694947668 Energy: 0.8754336901999694 Energy: 0.8287709210571892 Energy: 0.8752362280797208 Energy: 0.8742530697874445 Energy: 1.1996923084995115 Energy: 0.8295733799989415 Energy: 0.779607965436675 Energy: 0.781654770367008 Energy: 0.9941400767453795 Energy: 0.7810300799814027 minimum gb energy = 0.7786077793054313 eV minimum distance = 2.32042063027144 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 1.0800557365806143 Energy: 1.1173981188872146 Energy: 1.1178711396737124 Energy: 1.0831644808757122 Energy: 0.925813400525907 Energy: 1.1158491092752838 Energy: 1.059062978217983 Energy: 0.9259609872483463 Energy: 0.9273975355660479 Energy: 1.00419266807312 Energy: 0.9254916263931131 Energy: 0.9273280087008164 Energy: 0.9870712465904204 Energy: 0.9263937966566674 Energy: 0.9263978710256593 Energy: 0.9823712376496172 Energy: 0.9265648942587488 Energy: 0.9263300821166991 Energy: 0.8702879551439556 Energy: 0.9251238446372414 Energy: 0.9263360773597399 Energy: 0.9822250199462591 Energy: 0.9256088323222817 Energy: 0.9268735412143343 Energy: 1.1215801287940836 Energy: 0.8728823539425417 Energy: 0.9822054303419911 Energy: 1.006703160705214 Energy: 0.8715175887830457 Energy: 0.926499866950025 Energy: 0.9272932805686117 Energy: 0.8715566037457039 Energy: 0.8727676886010791 Energy: 0.9274037710654581 Energy: 0.8695163554820335 Energy: 0.8717500544421133 Energy: 0.9266914760019317 Energy: 1.0212427577230734 Energy: 0.927008600027082 Energy: 0.9265290822766901 Energy: 1.019855901900004 Energy: 0.9263598812895157 Energy: 0.9274453525889815 Energy: 0.9178489746833793 Energy: 0.9177075234884107 Energy: 0.9272292562977539 Energy: 0.9180188495261515 Energy: 0.9171052501028994 Energy: 0.988905651296935 Energy: 0.9163068468264094 Energy: 1.0062152183083544 Energy: 0.9266852809956804 Energy: 1.024711281954071 Energy: 0.9264749272035098 Energy: 0.9889166593164558 Energy: 0.9409728898929155 Energy: 0.9383916268923024 Energy: 0.9406796638448893 Energy: 0.9348496143515636 Energy: 0.9394876199909697 Energy: 0.9891537630708547 Energy: 0.9687941745110396 Energy: 0.9699303986118994 Energy: 0.9401245310367244 Energy: 0.9706155966922113 Energy: 0.9385614595611433 Energy: 0.9920648310350215 Energy: 0.9257964384107463 Energy: 0.926101335295774 Energy: 0.980890654155332 Energy: 0.938795350861906 Energy: 0.9255871483675995 minimum gb energy = 0.8695163554820335 eV minimum distance = 2.26313511837182 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 1.5098125795540571 Energy: 1.1740525651246667 Energy: 0.9130836134898405 Energy: 0.9141841156161664 Energy: 0.8907050383479725 Energy: 0.9138509128018599 Energy: 0.8499936774580628 Energy: 0.8942614258386528 Energy: 0.8948461587872545 Energy: 0.9579701686560895 Energy: 0.8943036874381081 Energy: 0.8966458412277513 Energy: 1.10715856261475 Energy: 0.8922885693824698 Energy: 0.8914874692024952 Energy: 0.9497550052860627 Energy: 0.8922907301398999 Energy: 0.8896719931493788 Energy: 1.1035385518805032 Energy: 0.9774820717599226 Energy: 0.8923833774299731 Energy: 0.9152735632259613 Energy: 0.8912231199564671 Energy: 0.8916346377320892 Energy: 1.0320731386629778 Energy: 0.9745137017614424 Energy: 0.9957740121435583 Energy: 0.9956930378223379 Energy: 1.0024696146583878 Energy: 0.9568596194613975 Energy: 0.9562978190608403 Energy: 0.9194560472182078 Energy: 0.9627530206332855 Energy: 0.9555440679770842 Energy: 0.9175360109114434 Energy: 0.9627554110451882 Energy: 0.9488471909979415 Energy: 0.9453795596458318 Energy: 0.9477359040775363 Energy: 0.9508091865314232 Energy: 0.9572749290988629 Energy: 0.9458119688015385 Energy: 0.9474546868954649 Energy: 0.8846515011857513 Energy: 0.9488263400025221 Energy: 0.9475643907019905 Energy: 0.8830540471546241 Energy: 0.9488887966299754 Energy: 0.9118654019920518 Energy: 0.9692029648852986 Energy: 1.0006928290979218 Energy: 0.9124197481207991 Energy: 0.9702834841694781 Energy: 0.9537679859906707 Energy: 1.2229076630351572 Energy: 0.9707317927210877 Energy: 0.9370471947639053 Energy: 0.8501875312658521 Energy: 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0.8918194348236472 Energy: 0.8945852125415032 Energy: 0.9482814855935862 Energy: 0.9507513465704523 Energy: 0.8948134967730553 Energy: 0.9796852770399054 Energy: 0.8960514510763702 Energy: 0.9134262906042787 Energy: 0.9434941005850797 Energy: 0.949885856388736 Energy: 0.9142522223259626 Energy: 0.9674193162911862 Energy: 0.9499528733372368 Energy: 0.9134569417201732 Energy: 0.9286493849177792 Energy: 0.9055229209577583 Energy: 0.9139067986270816 Energy: 0.9359538802774908 Energy: 0.8951412737735207 Energy: 0.9159140873746371 Energy: 0.9118194779385049 Energy: 0.9212563079535832 Energy: 0.9173305725806226 Energy: 0.9165024674704164 Energy: 0.9036203898581572 Energy: 0.9136148826184801 Energy: 0.9119838752650373 Energy: 0.9031422541713335 Energy: 0.8956979188020437 Energy: 0.9124632753867818 Energy: 0.9038759686045591 Energy: 0.9742394394683052 Energy: 0.8933875022962573 Energy: 0.9320587567776996 Energy: 0.9973404287071935 Energy: 0.8943152224170275 Energy: 0.959575498614791 Energy: 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0.9430288981984287 Energy: 0.9502091924981275 Energy: 0.9513140369552624 Energy: 0.9697496337447695 Energy: 0.947769650952472 Energy: 0.9554613274961766 Energy: 0.884919702679994 Energy: 0.9516545555923055 Energy: 0.956111290102819 Energy: 0.8824770808122374 Energy: 0.9479870499353115 Energy: 1.0425988828955661 Energy: 0.9485317690519145 Energy: 0.9510566039248957 Energy: 0.9154087197481647 Energy: 1.0061589420681896 Energy: 1.0030962708375912 Energy: 1.2185669923244442 Energy: 0.9316552200936504 Energy: 0.9323777497798084 Energy: 0.9310179190743383 Energy: 0.9307767825697703 Energy: 0.9201433649995799 Energy: 0.8919477302940527 Energy: 0.9464051401551277 Energy: 0.9467827631463548 Energy: 0.9564087848320301 Energy: 0.9512942691166357 Energy: 0.9472938270016765 Energy: 1.0943508402485649 Energy: 0.9718554264896198 Energy: 0.9705442086100221 Energy: 0.9634037110036909 Energy: 0.9718878938239129 Energy: 0.9415443069611562 Energy: 1.096664632209332 Energy: 0.9557265318967331 Energy: 0.9557686090997766 Energy: 0.9681876386526252 Energy: 0.957143823040103 Energy: 0.9797641741575812 Energy: 0.8913145560159395 Energy: 0.9618172742342906 Energy: 1.0015276444573407 Energy: 0.8916705194713266 Energy: 0.9614752682109688 Energy: 0.8905084038455324 Energy: 0.8882899188914255 Energy: 0.9477807634364881 Energy: 0.8907703018601356 Energy: 0.8912877485573742 Energy: 0.9498053345391098 Energy: 0.8893770581300481 Energy: 0.8957563733422363 Energy: 0.9608382486167599 Energy: 0.8905488929041746 Energy: 0.8957946102905756 Energy: 0.9621476237025568 Energy: 0.8980023208516558 Energy: 0.8913304928450078 Energy: 0.9411731360719053 Energy: 1.0062242356788118 Energy: 0.8912309042838674 Energy: 0.9422831627190409 Energy: 1.002201789014418 Energy: 0.9147106689212814 Energy: 0.9624447408454089 Energy: 0.9751057629637329 Energy: 0.8946948058476082 Energy: 0.9351327870487094 Energy: 0.8961926890146532 Energy: 0.9111435103028863 Energy: 0.9127028230692896 Energy: 0.9019352270283073 Energy: 0.9107819519097914 Energy: 0.9122435987169951 Energy: 0.9127306816597993 Energy: 0.9131743268355257 Energy: 0.91193968729134 Energy: 0.9127441193493872 Energy: 0.8953810065579504 Energy: 0.9132983682954515 Energy: 0.9031531102901049 Energy: 0.9702506931750106 Energy: 0.8959196519637874 Energy: 0.894724376372665 Energy: 1.004643821507856 Energy: 0.8947212455725053 Energy: 0.9300477506412734 minimum gb energy = 0.8499936774580628 eV minimum distance = 2.24352826395576 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 0.49306216984141815 Energy: 0.5125102282199656 Energy: 0.5117498434022003 Energy: 0.49770895121239084 Energy: 0.9746377668967164 Energy: 0.49372146421853724 Energy: 0.49425313932256804 Energy: 0.52846710786784 Energy: 0.5290476594331647 Energy: 0.5828842715263186 Energy: 0.5828264344842701 Energy: 0.5316910106021369 Energy: 0.6693489706620339 Energy: 0.5809001852208423 Energy: 0.5825194410514251 Energy: 0.5818152659617166 Energy: 0.5818169166137868 Energy: 0.5292769461063669 Energy: 0.6696072875081966 Energy: 0.5816233943015886 Energy: 0.5807569746980289 Energy: 0.5816242910442718 Energy: 0.6698308519606427 Energy: 0.6020335760714115 Energy: 0.6684469167157921 Energy: 0.4949239070955626 Energy: 0.5466806812884528 Energy: 0.6712390912429259 Energy: 0.4940677682219977 Energy: 0.5290967671955958 Energy: 0.5836066488836563 Energy: 0.49414213053323414 Energy: 0.4939422475088741 Energy: 0.5831170630643311 Energy: 0.49397547271746284 Energy: 0.5442713736688618 Energy: 0.580901319832261 Energy: 0.5279933457544811 Energy: 0.5279771697253217 Energy: 0.5831496716921383 Energy: 0.5815715033962315 Energy: 0.530234011175329 Energy: 0.5818615907484286 Energy: 0.6644889241811747 Energy: 0.663341295882616 Energy: 0.5816519435515041 Energy: 0.5832361510812983 Energy: 0.5814907381840734 Energy: 0.6690321018858969 Energy: 0.5817554000002695 Energy: 0.5957795461469125 Energy: 0.6699088312720004 Energy: 0.581614776679022 Energy: 0.6034699442083411 Energy: 0.4934901034157526 Energy: 0.5826993138693827 Energy: 0.557568888283883 Energy: 0.49389689341956633 Energy: 0.5826107568804898 Energy: 0.5555023968794075 Energy: 0.49370833120874397 Energy: 0.5284356119287558 Energy: 0.5290969326750139 Energy: 0.4941523951137496 Energy: 0.5827059159985277 Energy: 0.5460682604521013 Energy: 0.6704729871669447 Energy: 0.5817343026358471 Energy: 0.5948676194654628 Energy: 0.6699530330856897 Energy: 0.5826646602457267 Energy: 0.5284776800821984 Energy: 0.6706653855894583 Energy: 0.9736954426717017 Energy: 1.0193732376549824 Energy: 1.0180699542621168 Energy: 0.9741283422138848 Energy: 1.018575876143015 Energy: 0.6706082986198422 Energy: 0.5825870552279 Energy: 0.5818667592556452 Energy: 0.6720882978583694 Energy: 0.5815716105860659 Energy: 0.5279119603747291 Energy: 0.6702466817350833 Energy: 0.49385091186251745 Energy: 0.4934387567941478 Energy: 0.6693380430990036 Energy: 0.49381896142176945 Energy: 0.5516784725738642 Energy: 0.5821470675958996 Energy: 0.5809395897153802 Energy: 0.5294213421185794 Energy: 0.5826464919862598 Energy: 0.49380001578508936 Energy: 0.5295276453434663 Energy: 0.5824762208685893 Energy: 0.582313956494965 Energy: 0.5605679049148585 Energy: 0.5817901083065616 Energy: 0.5812681886767054 Energy: 0.6021530797884515 Energy: 0.6710294309938785 Energy: 0.5956235364030781 Energy: 0.5982039843431666 Energy: 0.6703737093561211 Energy: 0.5825289500912625 Energy: 0.5817438093939971 Energy: 0.4941102697670355 Energy: 0.5289642618447808 Energy: 0.5284233875202381 Energy: 0.49427259611528823 Energy: 0.6735450137138987 Energy: 0.5944097594232889 minimum gb energy = 0.49306216984141815 eV minimum distance = 2.30870506821808 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 1.310378781700145 Energy: 0.9201125688597246 Energy: 1.1981076585238621 Energy: 1.009493022228039 Energy: 1.5561886823919646 Energy: 1.1984620648215225 Energy: 0.921493887871173 Energy: 0.8866432391732646 Energy: 0.8725162047353175 Energy: 0.8945446615378773 Energy: 0.9033354928107183 Energy: 0.9085130179189519 Energy: 0.9023137511229983 Energy: 0.9183200738993698 Energy: 0.8894748248997989 Energy: 0.9050390810310294 Energy: 0.9028057229973697 Energy: 0.8889291095035335 Energy: 0.9024542353524883 Energy: 0.9157139908558187 Energy: 0.8706116776344407 Energy: 0.9053746248646499 Energy: 0.9011577544323456 Energy: 0.890488162024993 Energy: 0.9046228892510928 Energy: 0.9160351362957869 Energy: 0.8818610034833297 Energy: 0.9038717059587141 Energy: 1.0589656120873903 Energy: 0.8686341327098482 Energy: 1.021999467969627 Energy: 0.9261166676717983 Energy: 0.9570760713634309 Energy: 0.9080391720653966 Energy: 0.8366549006878279 Energy: 0.8646713927519566 Energy: 1.0489705424858116 Energy: 0.890073552330996 Energy: 0.8790184207818292 Energy: 0.9019929227944753 Energy: 0.8831215704312846 Energy: 0.87773268652397 Energy: 0.9331992979610939 Energy: 0.9003508044602111 Energy: 0.8979521459531533 Energy: 0.9346497543715218 Energy: 0.900701039995251 Energy: 0.8970389904578663 Energy: 1.0066970938554518 Energy: 0.8751859578176989 Energy: 0.8281120474436552 Energy: 0.9136239006588512 Energy: 0.9196686434501798 Energy: 0.8498758945088978 Energy: 1.1612354430133305 Energy: 0.910007008711518 Energy: 0.8279101710763692 Energy: 0.9803496205774536 Energy: 0.9222769638265099 Energy: 0.8893423061059808 Energy: 1.0890340667442573 Energy: 0.8299363364044596 Energy: 0.8279450439344939 Energy: 0.9824602335457724 Energy: 0.8971178090682572 Energy: 0.8551566646286805 Energy: 0.9456289715120605 Energy: 0.8716112816904549 Energy: 0.9044620876542377 Energy: 0.9454560028280974 Energy: 0.8750120581566996 Energy: 0.8764670997332777 Energy: 0.9493879261952636 Energy: 0.9145919240857223 Energy: 0.9133356684643823 Energy: 0.9505656046307134 Energy: 1.0978181459368574 Energy: 0.9452554191322253 Energy: 0.9552868324188246 Energy: 0.8142812069480159 Energy: 0.8395256249783949 Energy: 0.9564087685763312 Energy: 0.8398498284646532 Energy: 0.8401729562934779 Energy: 1.1254575683988535 Energy: 0.9529673288317597 Energy: 0.9570631128050535 Energy: 0.9488397186258446 Energy: 0.9537493969026812 Energy: 0.8902197587988785 Energy: 1.1387506525364715 Energy: 0.8143375878744114 Energy: 0.8375991161692632 Energy: 0.9493401126926937 Energy: 0.9541359021222654 Energy: 0.8381037149458583 Energy: 1.0868098158181605 Energy: 1.0446424263423328 Energy: 0.9815064814096589 Energy: 1.0303606701333485 Energy: 1.1604825867609434 Energy: 0.9464540234807368 Energy: 1.22736476586238 Energy: 0.8880374315063783 Energy: 0.8546547535103562 Energy: 0.9492394453888291 Energy: 0.948339071534693 Energy: 0.8390048792029111 Energy: 1.1886026913383927 Energy: 0.9441765489575208 Energy: 0.8984931984774086 Energy: 0.9195173408953197 Energy: 0.9419847431877584 Energy: 0.8478148964789062 Energy: 1.006923269275362 Energy: 0.9833257773132345 Energy: 0.9331915913816893 Energy: 0.9781264481682395 Energy: 0.9456605166852075 Energy: 0.9286624354113429 Energy: 1.1985645354984498 Energy: 0.8142159921836742 Energy: 0.8418102898425887 Energy: 0.9151487499348535 Energy: 0.8786339525160843 Energy: 0.8543289424163535 Energy: 1.3212277986988827 Energy: 1.0077894051234497 Energy: 1.008286907903612 Energy: 0.9182195111689554 Energy: 1.0170857189077513 Energy: 0.9570770875266207 Energy: 0.9164442456966579 Energy: 0.8152302924434867 Energy: 0.8360739746130083 Energy: 0.915896981923972 Energy: 0.887811669423805 Energy: 0.8564036675970906 Energy: 0.8967148293440546 Energy: 0.9480143531173852 Energy: 0.8953599119430478 Energy: 0.8989163501224327 Energy: 0.9820549979514106 Energy: 0.8954686680053031 Energy: 0.8988466678041988 Energy: 0.9043917997663327 Energy: 0.8437297171428895 Energy: 0.8989177298068722 Energy: 0.9064016422867571 Energy: 0.8800538583005466 Energy: 1.0041973383827283 Energy: 0.8938560616401463 Energy: 0.8711900481721123 Energy: 1.0523685189797534 Energy: 0.9048975450218338 Energy: 0.8623856090000007 minimum gb energy = 0.8142159921836742 eV minimum distance = 2.26897101071222 Angstroms sigma value = 41 ======================================== theta = 58.99241699313286 ======================================== Energy: 1.2620716797356106 Energy: 1.2919681313502902 Energy: 1.2921258055019536 Energy: 0.976858317569998 Energy: 0.9697619556170083 Energy: 1.0049876727275464 Energy: 0.997767493462954 Energy: 0.9451596033405585 Energy: 0.9212616942509569 Energy: 0.932434356693429 Energy: 0.9577070465982637 Energy: 0.9484480074969538 Energy: 0.9565604473725339 Energy: 0.9300098540486496 Energy: 0.9530681507433603 Energy: 0.9593462223108207 Energy: 0.9568214396508993 Energy: 0.9485061394029326 Energy: 0.9571218400525063 Energy: 0.9283505575108968 Energy: 0.9302409189225878 Energy: 0.9586950985664019 Energy: 0.9573898618013071 Energy: 0.9604341236174351 Energy: 0.9550681882227582 Energy: 0.9046628389866472 Energy: 0.9036097464039221 Energy: 0.9549440606597014 Energy: 1.0370537449021433 Energy: 0.9174594004638019 Energy: 1.2309713797093065 Energy: 0.9427672491066282 Energy: 0.9430054277245595 Energy: 1.2312232299532204 Energy: 0.9197642535922302 Energy: 0.9434254637752079 Energy: 1.1528609074124485 Energy: 0.9272195477394035 Energy: 0.9255788938334739 Energy: 0.9583037572020091 Energy: 0.9716331712503241 Energy: 0.9471733508961758 Energy: 1.0012818605388942 Energy: 0.9621320043968248 Energy: 0.9614510638594174 Energy: 1.0040725297917958 Energy: 0.9618737539908531 Energy: 0.8839547502111876 Energy: 1.1540624875631165 Energy: 0.9526352658771445 Energy: 0.9154439520862044 Energy: 0.9468380035204397 Energy: 0.9538630382227373 Energy: 0.9168162357941444 Energy: 1.13400531240777 Energy: 0.9516342572647833 Energy: 0.9515572330919974 Energy: 0.9332264159602368 Energy: 0.9525837568214182 Energy: 0.9519809647167615 Energy: 1.1315535939223234 Energy: 0.9530855817944055 Energy: 0.9170237636092798 Energy: 0.9312715250450007 Energy: 1.1581551147074465 Energy: 0.9185190077843388 Energy: 1.1896711508735336 Energy: 0.8741826358478662 Energy: 0.871779421139862 Energy: 1.1924991696657476 Energy: 0.9072821573430822 Energy: 0.9315964452848621 Energy: 0.9532806581447035 Energy: 1.0039809008701202 Energy: 0.9971896431700574 Energy: 0.952666880100415 Energy: 0.8727270454783158 Energy: 0.9982647499127395 Energy: 0.9516344582013557 Energy: 0.9227278966154857 Energy: 0.9185814751842036 Energy: 0.9522974731050937 Energy: 0.9455648786041854 Energy: 0.9174092679266774 Energy: 0.9666607513858456 Energy: 0.9661419636105995 Energy: 0.9680417050489935 Energy: 0.9663591092130968 Energy: 0.9641176539909696 Energy: 0.9603133178698384 Energy: 0.9618848489315224 Energy: 0.9461959937347149 Energy: 0.950364767725415 Energy: 0.9515134438827152 Energy: 0.9584434955959501 Energy: 0.9427195534268427 Energy: 1.249776461249738 Energy: 1.1568777278401907 Energy: 0.8718947191845072 Energy: 0.9647789022151766 Energy: 1.1625190208864333 Energy: 0.9783525366924142 Energy: 1.0031245704357301 Energy: 0.9604363232108716 Energy: 0.9203840810895364 Energy: 0.965711403425956 Energy: 0.9573866154708007 Energy: 0.8731788757010732 Energy: 0.9563184691599422 Energy: 0.9752994938248536 Energy: 0.9545732971226549 Energy: 0.9558477118931697 Energy: 0.9543422518038 Energy: 0.9350617789210156 Energy: 0.956138632650557 Energy: 0.95744620127798 Energy: 0.9345923311500953 Energy: 0.9594221300294272 Energy: 0.955559371427994 Energy: 0.9661852392678327 Energy: 0.9556628528289154 Energy: 0.9214284639511067 Energy: 0.9460460675298328 Energy: 0.9555892641160251 Energy: 0.9360058113057582 Energy: 0.9195463903913428 Energy: 1.209741378411057 Energy: 1.1228109796121957 Energy: 1.123876540925782 Energy: 1.2105821576724738 Energy: 1.1220468541653255 Energy: 1.1396762710028323 Energy: 1.1530379746141939 Energy: 0.9277269146175848 Energy: 0.9449994470568109 Energy: 0.9571150730004603 Energy: 0.9353158245705451 Energy: 0.9242733473069249 Energy: 1.0004812473071938 Energy: 0.9628955439070442 Energy: 0.9498087227400941 Energy: 1.002673378213391 Energy: 0.9639051461818786 Energy: 0.8878426543196352 Energy: 1.1531027143904808 Energy: 0.9531155370283665 Energy: 0.9440367609416198 Energy: 0.9565280147717753 Energy: 0.9530906686951687 Energy: 0.9259884663208958 Energy: 1.130748555808136 Energy: 0.9527940964939873 Energy: 0.9256512560757151 Energy: 0.9313374408788989 Energy: 0.9528056342593236 Energy: 0.9172299542815158 Energy: 1.1338189325225665 Energy: 0.9530831319143014 Energy: 0.9526236648966374 Energy: 0.9330605767553507 Energy: 1.1826743625498823 Energy: 0.9313992749527611 Energy: 1.1894878637411304 Energy: 0.8733478940762395 Energy: 0.9157297870339157 Energy: 1.0425932767933823 Energy: 0.9071548353635737 Energy: 0.9158832375579248 Energy: 0.9517535823475153 Energy: 0.9880537813029929 Energy: 0.9893928123303497 Energy: 0.9519836207402566 Energy: 0.9750504601518403 Energy: 0.9887218308676775 Energy: 0.9534749654804308 Energy: 0.9139064701584322 Energy: 0.9125493514499414 Energy: 0.9538125155353775 Energy: 0.9212709033912613 Energy: 0.9134555118522497 Energy: 0.9615716819721503 Energy: 0.9450938739861144 Energy: 0.9554273024950182 Energy: 0.9642666356249888 Energy: 0.9353200203605256 Energy: 0.9622292945278125 Energy: 0.9619886182088425 Energy: 0.9673493635638388 Energy: 0.9485439518268919 Energy: 0.9624215277310326 Energy: 0.9571257306379762 Energy: 0.9430958310699817 Energy: 1.2715856810183723 Energy: 0.9622400230506165 Energy: 0.8762422480896063 Energy: 0.8804120505995505 Energy: 1.1533340687887277 Energy: 0.873468349751317 minimum gb energy = 0.871779421139862 eV minimum distance = 2.24808066104709 Angstroms sigma value = 33 ======================================== theta = 62.439396894736774 ======================================== Energy: 1.091215959510809 Energy: 1.1678794703033202 Energy: 1.1324009867208495 Energy: 1.0526366130471818 Energy: 1.3929006019540826 Energy: 1.1674549827654803 Energy: 1.1169393134401262 Energy: 0.9707129110744666 Energy: 0.9965434935176812 Energy: 0.9831915616743118 Energy: 0.9686483094698028 Energy: 1.0160216620693072 Energy: 1.0273412417184904 Energy: 0.9972470747457761 Energy: 0.9949994635604232 Energy: 1.0436595237644808 Energy: 0.9698048646046767 Energy: 0.97808906351114 Energy: 1.036057703184055 Energy: 0.97937502293112 Energy: 1.0025287006141552 Energy: 1.050873470550203 Energy: 1.02072055195729 Energy: 0.9890591455937677 Energy: 1.032447896726691 Energy: 0.9760275903257998 Energy: 1.0210834742573882 Energy: 1.0454740925629096 Energy: 0.9818444313520029 Energy: 1.0196983419054457 Energy: 1.176752206821215 Energy: 1.0298554536794198 Energy: 1.0300455437485698 Energy: 1.1744582162997494 Energy: 0.9835065807306607 Energy: 1.0418401774219253 Energy: 1.2043493784239925 Energy: 0.9930098935452475 Energy: 1.013498845847296 Energy: 1.0688156681125016 Energy: 0.9936364573786101 Energy: 1.0099062227413835 Energy: 1.099062475238116 Energy: 1.063184806954895 Energy: 0.9160176425862216 Energy: 1.0934348060544965 Energy: 0.9993723189403755 Energy: 0.9220044272452418 Energy: 1.139061858409033 Energy: 1.0056626388848475 Energy: 1.0361354230501798 Energy: 1.0744310635559173 Energy: 1.0113687163860117 Energy: 1.0319998054755222 Energy: 1.1886802392548579 Energy: 1.011037328651127 Energy: 1.010143508462451 Energy: 1.022786866168761 Energy: 1.0710466689720546 Energy: 1.009829654842906 Energy: 1.2380150572318371 Energy: 1.0058995487663034 Energy: 1.009007080121223 Energy: 1.0170175287360712 Energy: 1.0665503369620069 Energy: 1.0148725230311997 Energy: 1.1938339603837302 Energy: 0.8863463640547741 Energy: 0.9790694508707428 Energy: 1.1410821479426745 Energy: 0.8828325778382959 Energy: 0.8820269470383278 Energy: 1.08093607786585 Energy: 0.9593584687949274 Energy: 0.8888098041364257 Energy: 1.0872180526206932 Energy: 0.8828344719026398 Energy: 0.8846029821528283 Energy: 1.0382580915311759 Energy: 1.014491254782208 Energy: 1.0186984304173707 Energy: 1.0385133251689234 Energy: 1.0039425204824568 Energy: 1.0381793311446907 Energy: 0.906967907230897 Energy: 1.0098237632809117 Energy: 0.9884550994848341 Energy: 1.0169188963851536 Energy: 1.0134090624719247 Energy: 0.9883508398435694 Energy: 1.036466660859509 Energy: 1.0378638117645156 Energy: 1.0161409394032999 Energy: 1.0177334770324507 Energy: 1.0375214330760478 Energy: 1.020008914785675 Energy: 1.2082176354267056 Energy: 1.0623615063557195 Energy: 1.0243851463191955 Energy: 1.0364635566701943 Energy: 1.1277141095586014 Energy: 1.0249560683154146 Energy: 1.2116246173157057 Energy: 1.0824727575848594 Energy: 1.0202635621389051 Energy: 0.9997946259703832 Energy: 1.0611404781775011 Energy: 1.0155372081051077 Energy: 1.0775695288949572 Energy: 0.9114953621737306 Energy: 0.9108169299904052 Energy: 1.062387329672726 Energy: 1.098809951748571 Energy: 1.0053502206491898 Energy: 0.9975798430238458 Energy: 0.911842923034293 Energy: 0.911344509668714 Energy: 0.9977244627719909 Energy: 1.0992852311662276 Energy: 1.0158063972703013 Energy: 1.0083128979464429 Energy: 1.0406607464258937 Energy: 1.033465952077328 Energy: 1.0088858861740015 Energy: 1.0376089788996947 Energy: 1.0136928534560752 Energy: 1.0642223911561919 Energy: 1.069236248773365 Energy: 1.064286497743214 Energy: 1.0662390550856489 Energy: 1.0751715809053382 Energy: 1.0643678165132062 Energy: 1.0644041507926707 Energy: 0.9935101136364677 Energy: 1.037894945970736 Energy: 1.0032985508349246 Energy: 1.0207042508124222 Energy: 1.0156255678083783 Energy: 1.0548692236285475 Energy: 1.2704323939293072 Energy: 1.1342371035448104 Energy: 1.1297231975744202 Energy: 1.190718788919633 Energy: 1.1336866981495473 Energy: 1.12823462614568 Energy: 1.0381721220673303 Energy: 1.0303685103430364 Energy: 0.8825559908297359 Energy: 1.0210587133429123 Energy: 1.0392195947192826 Energy: 1.0353373532663503 Energy: 0.9977048388673196 Energy: 0.9950214189105769 Energy: 1.0373355131850215 Energy: 1.0149068926621798 Energy: 0.9859497455823905 Energy: 1.0339891497593756 Energy: 1.0024562331955518 Energy: 0.9913409568337179 Energy: 1.0370015919449826 Energy: 1.000088075459108 Energy: 0.9873653571637567 Energy: 1.0355425126943452 Energy: 1.0180227886703406 Energy: 0.9720519581840498 Energy: 1.035984319680168 Energy: 1.000911509982392 Energy: 0.9712021864286058 Energy: 1.1199096903025103 Energy: 1.0322433765930652 Energy: 1.0406193370239794 Energy: 1.1210102959920025 Energy: 1.0395661155379394 Energy: 1.0448340135902503 Energy: 1.2151179625336497 Energy: 0.9923979359399844 Energy: 1.0178432227727805 Energy: 1.0511073953809689 Energy: 0.9932576483265741 Energy: 1.0138181825196904 Energy: 1.0990903098451694 Energy: 1.0771140878398602 Energy: 0.9196420330840865 Energy: 1.0944960476657015 Energy: 1.0818165165728915 Energy: 0.9179324619260283 Energy: 1.1871850424877672 Energy: 1.0069344899976789 Energy: 1.026793740393795 Energy: 1.0665151138715774 Energy: 1.0068205714304386 Energy: 1.0447682749309473 Energy: 1.2453182135449379 Energy: 1.0059966787873718 Energy: 1.007584158387145 Energy: 1.0222203244039663 Energy: 1.0088445650400686 Energy: 1.010582100305062 Energy: 1.1900019729534055 Energy: 1.0040044182321801 Energy: 1.0128913869007108 Energy: 1.027488402161523 Energy: 1.067365835284979 Energy: 1.0087304007970497 Energy: 1.194633561104748 Energy: 0.8890292715417326 Energy: 0.978452371203432 Energy: 1.195977852689581 Energy: 0.8854239224286282 Energy: 1.0360448710707595 Energy: 1.0284262938763358 Energy: 1.1284458201550391 Energy: 1.1332396809587044 Energy: 1.0241706717057601 Energy: 0.8922787860813236 Energy: 1.131445651064654 Energy: 1.0613474859721919 Energy: 1.0140095228246635 Energy: 1.0177498626623216 Energy: 1.0618471212598097 Energy: 1.0062337894840852 Energy: 1.0134377069665297 Energy: 0.9096777362262499 Energy: 0.9998464703204167 Energy: 0.9797361724490219 Energy: 0.9125264295962126 Energy: 1.014613209446637 Energy: 0.9779852809827321 Energy: 1.0387241065371209 Energy: 1.0364315626718572 Energy: 0.9857252713146085 Energy: 1.0301609916521512 Energy: 1.0392458983291828 Energy: 1.0156758925263953 Energy: 1.2048665128818652 Energy: 1.0637460682905457 Energy: 1.0005133458640423 Energy: 1.0088113592833547 Energy: 1.0764781226948816 Energy: 1.0296459335732249 Energy: 1.2046075634163902 Energy: 1.0533127415618084 Energy: 1.081554094635633 Energy: 1.003762465447432 Energy: 1.0834716578696417 Energy: 1.0224922421202662 Energy: 1.0740683590985827 Energy: 0.9127370880720811 Energy: 0.9117260045124413 Energy: 1.0586505413867475 Energy: 1.0979322820652972 Energy: 1.010060575340162 Energy: 1.0700480439379774 Energy: 0.9116478056613868 Energy: 0.9103013721728201 Energy: 1.0716339869347589 Energy: 1.092685663474225 Energy: 0.9171237697164722 Energy: 1.0036569417872463 Energy: 1.0396145663449403 Energy: 1.0392945366086381 Energy: 1.0195490463202908 Energy: 1.0553109877197162 Energy: 1.0297852860223502 Energy: 1.0751699977142524 Energy: 1.0660887686965885 Energy: 1.0793238557150002 Energy: 1.091178786437448 Energy: 1.081657947315056 Energy: 1.0629303864836819 Energy: 1.0732429306792706 Energy: 0.9616291633343701 Energy: 1.0121659180073508 Energy: 1.0673027760595335 Energy: 0.9691362885138011 Energy: 1.0188283665402122 Energy: 1.130871189889133 Energy: 1.1317654832891761 Energy: 0.8853220588121503 Energy: 0.8836288529700062 Energy: 1.1395133037823957 Energy: 0.9077500779002683 minimum gb energy = 0.8820269470383278 eV minimum distance = 2.24376928121854 Angstroms sigma value = 67 ======================================== theta = 70.52877936550931 ======================================== Energy: 1.1186859828117202 Energy: 0.8462717370102818 Energy: 0.8437199412258665 Energy: 1.1089651511396528 Energy: 1.037910158023258 Energy: 0.8459054129083937 Energy: 1.1116241791886052 Energy: 0.9409017347606182 Energy: 0.9408990674261963 Energy: 1.0211184889612028 Energy: 1.0217156500483484 Energy: 0.9407857989992191 Energy: 0.9965226982890063 Energy: 0.843410217559007 Energy: 0.9159112405592899 Energy: 0.9946256923085446 Energy: 0.8444603998356734 Energy: 0.9160020954398324 Energy: 1.019320991539514 Energy: 0.9238912027673644 Energy: 0.9400306524528887 Energy: 1.0165299953409697 Energy: 0.9190971684010655 Energy: 0.9240236954868909 Energy: 1.0410525493443696 Energy: 0.9538193005399878 Energy: 0.9515104130670337 Energy: 1.0407681605023504 Energy: 0.9560068293567188 Energy: 1.0371581403844106 Energy: 1.019764637061207 Energy: 0.8760266276057121 Energy: 1.0395764762190718 Energy: 1.036941521929173 Energy: 0.8782057877777858 Energy: 1.0399783680982961 Energy: 1.098418555771278 Energy: 0.9551060352974877 Energy: 0.9542516625589537 Energy: 1.0938038106636783 Energy: 1.0385201754751707 Energy: 0.9419989810086794 minimum gb energy = 0.843410217559007 eV minimum distance = 2.29590228914572 Angstroms sigma value = 3 ======================================== theta = 77.88488253796277 ======================================== Energy: 1.3358641470337322 Energy: 1.3209688345029889 Energy: 1.187960983149332 Energy: 1.0811392511243696 Energy: 1.0535814404809534 Energy: 1.1887192028267854 Energy: 1.0233518374614428 Energy: 1.139062351534803 Energy: 1.034766019184801 Energy: 1.039237078808536 Energy: 1.1342851904413542 Energy: 1.0450983136149228 Energy: 1.0408078978257596 Energy: 1.0013993911930972 Energy: 0.9952534927309101 Energy: 1.0411286811701144 Energy: 1.0059708654351704 Energy: 1.0424500344246865 Energy: 1.037863543050573 Energy: 1.035272241373862 Energy: 1.033613666015532 Energy: 1.0354807870425404 Energy: 1.0498445466850244 Energy: 1.0340605979711441 Energy: 0.9985553408155219 Energy: 0.9971805127464233 Energy: 1.004664122210454 Energy: 1.0000237623715391 Energy: 0.9972635320967942 Energy: 0.9908727683288886 Energy: 1.0120865119278737 Energy: 0.9969447631048058 Energy: 1.0062779148267282 Energy: 1.0149562298115122 Energy: 1.0004033711665994 Energy: 0.9939629446205945 Energy: 1.0065267578410446 Energy: 1.1040004715045568 Energy: 1.0610594089017025 Energy: 1.02392463160979 Energy: 1.098010819825266 Energy: 1.0581546175051826 Energy: 1.289832394672403 Energy: 1.2697248138039279 Energy: 1.1351572810141475 Energy: 1.0414865926861403 Energy: 1.2676444547999097 Energy: 1.1343516652034693 Energy: 1.009328089433304 Energy: 1.1002799107503587 Energy: 1.0559641317113377 Energy: 1.0266597865703924 Energy: 1.0976253119930282 Energy: 1.0556420082931206 Energy: 1.2055130887128336 Energy: 1.0688729580585714 Energy: 1.07572580616701 Energy: 1.205180564290415 Energy: 1.0673005940045277 Energy: 1.1651718088093166 Energy: 1.0199840249608874 Energy: 1.0492347397626636 Energy: 1.049092500157601 Energy: 1.0197130567933113 Energy: 0.9969715947577907 Energy: 1.0402087580599984 Energy: 1.030567282009655 Energy: 0.9981325383404627 Energy: 0.9847673482080185 Energy: 1.0331694096338202 Energy: 1.01231417799725 Energy: 0.9960362522823071 Energy: 1.0529206112599971 Energy: 0.9925295766464387 Energy: 0.9889829527524053 Energy: 1.0547670962457383 Energy: 0.9935300300921531 Energy: 0.992501151087873 Energy: 1.0291957502391267 Energy: 1.0218222523869618 Energy: 1.0224417396127772 Energy: 1.0310723178900298 Energy: 1.0212002399733995 Energy: 1.0274428243819456 Energy: 1.1361621873125358 Energy: 1.0368309072140909 Energy: 1.0362013768309122 Energy: 1.003819134454663 Energy: 1.0358808325315867 Energy: 1.0476148948862871 Energy: 1.0518118014378748 Energy: 1.0850210449771955 Energy: 1.0470452258989638 Energy: 1.0539860932524208 Energy: 1.0742570188661158 Energy: 1.084023727836992 Energy: 1.2990120521573298 Energy: 1.1206613191973782 Energy: 1.1275042420281507 Energy: 1.300129997194576 Energy: 1.1272914783550114 Energy: 1.1743082614418434 Energy: 1.1608716859985642 Energy: 1.0575556617800377 Energy: 1.045322666296166 Energy: 1.1594995426959085 Energy: 1.0140082424603802 Energy: 1.0830783766101824 Energy: 1.160274676406631 Energy: 1.046847439996172 Energy: 1.0354733004294052 Energy: 1.1133628816182553 Energy: 1.075500998435984 Energy: 1.0725522493904887 Energy: 1.1632944892151513 Energy: 1.0355090943070464 Energy: 1.0358036253032272 Energy: 1.1113429122261964 Energy: 1.0594421425495035 Energy: 1.0703263926198452 Energy: 1.0264670278563213 Energy: 1.0383215223153723 Energy: 1.035048215239144 Energy: 1.0281190596684255 Energy: 1.0335781678432927 Energy: 1.0330884576408101 Energy: 1.0223474355623166 Energy: 1.0225757737409178 Energy: 1.027731254480794 Energy: 1.0248547847312934 Energy: 1.020957860165219 Energy: 1.0192025411733832 Energy: 1.0383382583856748 Energy: 1.0383526086768375 Energy: 1.0460145164802426 Energy: 1.0411036822755335 Energy: 1.0278849027926682 Energy: 1.0456880131863875 Energy: 1.1343326622324477 Energy: 1.033167834090097 Energy: 1.0334543497416817 Energy: 1.1367654087711812 Energy: 1.0437464070111762 Energy: 1.0344661615047785 Energy: 1.0687001034975423 Energy: 1.0713443565033214 Energy: 1.047067806362401 Energy: 1.0583589651190977 Energy: 1.0237018440494046 Energy: 1.0478970624779036 Energy: 1.1778303919271678 Energy: 1.1325697988507468 Energy: 1.1476475231333154 Energy: 0.9954557363608706 Energy: 1.13312925952009 Energy: 1.08518320045396 Energy: 1.0498581381851597 Energy: 1.1558232820048737 Energy: 1.152663690820201 Energy: 1.0683615862011204 Energy: 1.1483700363309823 Energy: 1.054930170255499 Energy: 1.074855583989727 Energy: 1.0717494438138095 Energy: 1.0459833910445788 Energy: 1.0705840457066784 Energy: 1.025492400310888 Energy: 1.0346370822242068 Energy: 1.0375501581607567 Energy: 1.0043973044086725 Energy: 0.9988936076229803 Energy: 1.03557121884168 Energy: 1.004873530627482 Energy: 1.0353578543822932 Energy: 1.0213410124995306 Energy: 1.061056405743364 Energy: 1.019960199116375 Energy: 1.0235901029610033 Energy: 1.031049187031608 Energy: 1.0202980351381281 Energy: 0.9953458989653633 Energy: 0.9961845453543624 Energy: 0.9904929067335704 Energy: 0.9925152218522891 Energy: 1.0083705068736997 Energy: 0.9927958380596673 Energy: 1.0014139957156039 Energy: 1.0575787841869622 Energy: 1.0600778497530323 Energy: 1.001351003107223 Energy: 1.0266761051987077 Energy: 1.0639207331438618 Energy: 1.201798815504746 Energy: 1.099407620537153 Energy: 1.0764307841558347 Energy: 1.0366584217435466 Energy: 1.1026322358906517 Energy: 1.0991699351153024 Energy: 1.0584527244929416 Energy: 1.0809105042118696 Energy: 1.0889284798617738 Energy: 1.0586338918017661 Energy: 1.0760691754214327 Energy: 1.0648949053567727 Energy: 1.2364224745784422 Energy: 1.0496524152148727 Energy: 1.0493808474371733 Energy: 1.2382346480814423 Energy: 0.9974744361898888 Energy: 1.0217958882863893 Energy: 1.1107038823569595 Energy: 1.0681805229867436 Energy: 1.0752445934167636 Energy: 1.1107259872917732 Energy: 1.0705449099120259 Energy: 1.1593329263427168 Energy: 1.0208380141023996 Energy: 1.0346744365368175 Energy: 1.0557504244112428 Energy: 1.0224376890316678 Energy: 0.9831131492977428 Energy: 1.0562956953649416 Energy: 1.0771333452556466 Energy: 0.9885721282683781 Energy: 0.9935789259413709 Energy: 1.0747416956435722 Energy: 0.9991390933406097 Energy: 0.9913812870294706 Energy: 1.0286027103775426 Energy: 1.020080170253849 Energy: 1.0201010505151742 Energy: 1.0299063097890988 Energy: 1.0206386165445116 Energy: 1.0181168013666204 Energy: 1.1149540698365492 Energy: 1.0373138198938971 Energy: 1.036705678464293 Energy: 1.0706071220349542 Energy: 1.0363073844535173 Energy: 1.0333982750204287 Energy: 1.0643601912147935 Energy: 1.0356582057372279 Energy: 1.0296533718361853 Energy: 1.0673771779009382 Energy: 1.0656724192653924 Energy: 1.0363951288837576 Energy: 1.0525960353257808 Energy: 1.0619292448039217 Energy: 1.0939514517343651 Energy: 1.0527812495416584 Energy: 1.035012747392808 Energy: 1.1062819857616137 Energy: 1.2416736106178947 Energy: 1.0987977979590322 Energy: 1.1208037548527434 Energy: 1.2422350094328958 Energy: 1.035711162177958 Energy: 1.1159717739441144 Energy: 1.091009958111887 Energy: 1.0818359253385006 Energy: 1.0479651503084066 Energy: 1.0575540713645244 Energy: 1.0371038349182953 Energy: 1.045487035367035 Energy: 1.204110942682831 Energy: 1.1017856992503876 Energy: 1.0743360421217163 Energy: 1.0049800597100467 Energy: 1.129614552443218 Energy: 1.0733472095670822 Energy: 1.0355150757789522 Energy: 1.046440044270836 Energy: 1.0504088234389775 Energy: 1.0218063671551616 Energy: 1.0374785261824626 Energy: 1.046137320656861 Energy: 1.0255148294174976 Energy: 1.0144094631033702 Energy: 1.0170986717072634 Energy: 1.0381104424156187 Energy: 1.0269785581723079 Energy: 1.0200367910116133 Energy: 1.0280419444332756 Energy: 1.0202275472504967 Energy: 1.006206661242371 Energy: 1.0292980843975774 Energy: 1.0334302035019842 Energy: 1.0264141332323835 Energy: 1.0438911586180395 Energy: 1.035057210240025 Energy: 1.0343933560246297 Energy: 1.0446183601131118 Energy: 1.0507168688100708 Energy: 1.038602060027092 Energy: 1.1846613104780108 Energy: 1.0349034907694654 Energy: 1.0346872570979604 Energy: 1.186044013919249 Energy: 1.0353615123680198 Energy: 1.0351649279050805 Energy: 1.0236719923931572 Energy: 1.13603368357846 Energy: 1.0342570399691964 Energy: 1.0045309396031814 Energy: 1.1362902251136882 Energy: 1.0371760098277305 minimum gb energy = 0.9831131492977428 eV minimum distance = 2.21777867617515 Angstroms sigma value = 81 ======================================== theta = 80.63108442154517 ======================================== Energy: 1.503462426155183 Energy: 1.1444132685564155 Energy: 1.1433467817339016 Energy: 1.1307460000605802 Energy: 1.28161826711732 Energy: 1.142401046163574 Energy: 1.0259416125836198 Energy: 1.0971970716483983 Energy: 1.0970344788639264 Energy: 1.0814653101415357 Energy: 1.097932303952017 Energy: 1.0993787324460456 Energy: 1.085517578818134 Energy: 0.9755561529886928 Energy: 0.9755308207371923 Energy: 1.0873046740086543 Energy: 1.0634771325428847 Energy: 1.0737188646703677 Energy: 1.0501866721275366 Energy: 1.0349119578038353 Energy: 0.9768580515842511 Energy: 1.0500454439305322 Energy: 1.0308984608238134 Energy: 1.0262542561725976 Energy: 1.063447922949832 Energy: 1.0592008027940074 Energy: 1.058937667803662 Energy: 1.0539191858493677 Energy: 1.0593590642954342 Energy: 1.0648330768545646 Energy: 1.0643953679900742 Energy: 1.0499010063364949 Energy: 1.0574701166179288 Energy: 1.066860763006686 Energy: 1.0358820252457077 Energy: 1.0590047531217288 Energy: 1.0414978874745788 Energy: 0.9817439966093856 Energy: 1.0334575874608853 Energy: 0.9953179354035718 Energy: 0.9891162265001794 Energy: 1.0320330063128798 Energy: 1.2208871939037609 Energy: 1.3124555302441108 Energy: 1.1734917618480245 Energy: 1.021156938379504 Energy: 1.3155442309027263 Energy: 1.0352051103018278 Energy: 1.1558154892431178 Energy: 1.023340279382102 Energy: 1.03057566255888 Energy: 1.0291433435208517 Energy: 0.980426752975413 Energy: 1.0284628434550558 Energy: 1.1215465065037822 Energy: 1.0876174890717578 Energy: 1.0881788650579696 Energy: 1.1124127813905162 Energy: 1.0867414930200368 Energy: 1.1117337158083844 Energy: 1.065576821383769 Energy: 1.0277944588194352 Energy: 1.0282138241367969 Energy: 1.0657131002927085 Energy: 1.0429699257358584 Energy: 1.0280000881146556 Energy: 1.068211762083644 Energy: 0.9808468941754381 Energy: 0.9719174883268452 Energy: 1.0682071190685012 Energy: 0.9826901801658436 Energy: 1.0245658828266335 Energy: 1.0674273300008743 Energy: 1.023059531584344 Energy: 1.021337849626863 Energy: 1.0613889402370849 Energy: 1.0264287150710023 Energy: 0.9864359828851419 Energy: 1.035200349701046 Energy: 0.9928408105003532 Energy: 0.9930109221065291 Energy: 1.0648766028021186 Energy: 0.9926909987389311 Energy: 0.9931928307461882 Energy: 1.2629992661071334 Energy: 1.068000287965418 Energy: 1.0676889521292168 Energy: 1.0662773684467408 Energy: 1.070149903957241 Energy: 1.06847345720507 Energy: 0.996912155868295 Energy: 1.0464720786569228 Energy: 1.0452908548272104 Energy: 0.9980552868925913 Energy: 1.0224049384620857 Energy: 1.0473763746848526 Energy: 1.206201754854349 Energy: 1.0382534631884077 Energy: 1.0344886588769182 Energy: 1.2065465563029705 Energy: 1.1851509479875437 Energy: 1.035241504586534 Energy: 0.9868790548480304 Energy: 1.0274597848349274 Energy: 1.0241632814845156 Energy: 0.9875181991624747 Energy: 1.0314324493319564 Energy: 1.0307644569520376 Energy: 1.012422105958862 Energy: 1.117267653157432 Energy: 1.029098609298552 Energy: 1.0477223450565287 Energy: 1.0973459383015327 Energy: 1.0267847731353976 Energy: 0.9843250382030122 Energy: 1.0956161600994652 Energy: 1.0323057885378641 Energy: 1.0415474996056098 Energy: 1.0953018675897384 Energy: 1.0278274562600127 Energy: 0.989218502515696 Energy: 1.0287987566237373 Energy: 1.0305366110435195 Energy: 0.9844999551973457 Energy: 1.0315653250007741 Energy: 1.0206788409333942 Energy: 1.0184213881125295 Energy: 1.0001105627343527 Energy: 0.9846642573030064 Energy: 1.018356992574488 Energy: 1.00515666444938 Energy: 1.0004512336171134 Energy: 0.9998620997621694 Energy: 0.9983001348374564 Energy: 0.9985099198597285 Energy: 1.001945811405287 Energy: 1.019758698763932 Energy: 0.998055581133469 Energy: 1.082298413590106 Energy: 1.0759730006310828 Energy: 1.0765565068167835 Energy: 1.074146653372497 Energy: 1.076060630927372 Energy: 1.0711116104773224 Energy: 1.0522680860639546 Energy: 1.039476210901536 Energy: 1.0412756275484205 Energy: 1.0881835668515998 Energy: 0.9809063431640439 Energy: 1.0421399561249165 Energy: 1.182327954319865 Energy: 1.2090826389669436 Energy: 1.1601442936923108 Energy: 1.2112013050292505 Energy: 1.2101275332358172 Energy: 1.0173856882868497 Energy: 1.058130165277761 Energy: 1.1738279720293983 Energy: 0.9708718071589878 Energy: 1.0889100448718152 Energy: 1.1748136237551394 Energy: 1.024476291960879 Energy: 1.1436636387291728 Energy: 1.0276782617072229 Energy: 1.0273872873378995 Energy: 1.1480482967810322 Energy: 0.9808527657935189 Energy: 1.026894656618709 Energy: 1.1006963488997419 Energy: 1.0886972845082297 Energy: 1.0880357388171171 Energy: 1.1056462153850242 Energy: 1.0885471223102616 Energy: 1.0984731861202577 Energy: 1.074310243906005 Energy: 0.9804680242715098 Energy: 1.0287233331391745 Energy: 1.0292275379513511 Energy: 0.9811350074755498 Energy: 1.0285998088308859 Energy: 1.062214253385499 Energy: 1.0940730980949953 Energy: 1.0955034123855327 Energy: 1.0615800589186937 Energy: 1.0374690040017394 Energy: 0.9811831559218522 Energy: 1.02390512672084 Energy: 0.9948985109582569 Energy: 0.9947700319422045 Energy: 1.0213207829141806 Energy: 0.998808874382293 Energy: 0.9961586456624402 Energy: 1.06409108910488 Energy: 1.0625171148120311 Energy: 1.0615750838443332 Energy: 0.9955109442202856 Energy: 1.0573130501707968 Energy: 1.0620716363537523 Energy: 1.0382719308638428 Energy: 1.0695079837538708 Energy: 1.0613307861051948 Energy: 1.0398453587482912 Energy: 1.0629802439909555 Energy: 1.061124509948974 Energy: 1.036530670839431 Energy: 1.0352461231743726 Energy: 1.0354468573622457 Energy: 1.038436939522319 Energy: 1.1817183977719452 Energy: 1.0614816228856627 Energy: 1.3098895719646264 Energy: 1.0378046031265282 Energy: 1.0368908684796798 Energy: 1.310460395365633 Energy: 1.0359523422229913 Energy: 1.2883703176136536 Energy: 1.0827942128362016 Energy: 1.0974226472996191 Energy: 1.097795573443116 Energy: 1.017467478685276 Energy: 1.0986552486035588 Energy: 1.1006613312831297 Energy: 1.5029512919300878 Energy: 1.16730045441777 Energy: 1.1454662186686697 Energy: 1.1266175488155692 Energy: 1.1610165748691763 Energy: 1.1441539706735517 minimum gb energy = 0.9708718071589878 eV minimum distance = 2.26022262521057 Angstroms sigma value = 43 ======================================== theta = 82.945868617881 ======================================== Energy: 1.4494329442414566 Energy: 1.142936774364884 Energy: 1.233931179988844 Energy: 1.1267741916202414 Energy: 1.208724223706751 Energy: 1.1285506197946054 Energy: 1.0771467493663631 Energy: 0.9982773084518572 Energy: 0.9851284540959026 Energy: 1.0539056613867113 Energy: 1.001170085072679 Energy: 1.0506580163096302 Energy: 1.0022805375578687 Energy: 1.0467505794198697 Energy: 1.0279733739597678 Energy: 1.0015474462093696 Energy: 1.0472746889005728 Energy: 1.081774943242469 Energy: 1.0015347433391928 Energy: 1.00084976751774 Energy: 1.0040782055959605 Energy: 1.0021298941594563 Energy: 1.0466585384909457 Energy: 1.0028666689801147 Energy: 1.0097013415287375 Energy: 1.0299662359743813 Energy: 1.0136880961826018 Energy: 1.0068841300407638 Energy: 1.0157638893565315 Energy: 1.0089979409414531 Energy: 1.0387136040638927 Energy: 1.0096562091566517 Energy: 1.0130995077428828 Energy: 1.039788937050194 Energy: 1.0025642384198759 Energy: 1.0157517170768122 Energy: 1.0084791700793607 Energy: 1.002182711006901 Energy: 1.0018139938285366 Energy: 1.0079731376603702 Energy: 1.0007952699778306 Energy: 1.0010354549682752 Energy: 1.2249882491809236 Energy: 1.004707097167319 Energy: 1.0046936511028575 Energy: 1.0108955989747466 Energy: 1.0021022293118906 Energy: 1.0036171582829587 Energy: 1.071748891999482 Energy: 1.0506746441198942 Energy: 1.051760693894543 Energy: 1.0745804002006882 Energy: 1.0865317769836245 Energy: 1.052533891697514 Energy: 1.1496360723528702 Energy: 1.1577526473891886 Energy: 1.1226920400381155 Energy: 1.1494200068987035 Energy: 1.0664379765840146 Energy: 1.166426975331463 Energy: 1.0637197310399773 Energy: 1.0809675120832156 Energy: 1.0205007266883586 Energy: 1.0644392539222907 Energy: 1.0423905272397642 Energy: 1.0665130852494225 Energy: 1.0708557715675184 Energy: 1.0957671007773164 Energy: 1.051120507167435 Energy: 1.05325875361321 Energy: 1.1107361529700512 Energy: 1.0018570927749402 Energy: 1.0701857174259677 Energy: 1.0511183589937543 Energy: 1.0879961630696677 Energy: 1.0397133767700597 Energy: 1.0514112953687091 Energy: 1.042745759273245 Energy: 0.988903699370289 Energy: 1.0509026188488129 Energy: 1.0515480667359367 Energy: 0.9795045367057112 Energy: 1.0496933986628245 Energy: 1.0816465865634197 Energy: 0.9503855093040213 Energy: 0.9847510264482707 Energy: 0.9525305267246225 Energy: 0.9741599282536626 Energy: 0.9716738060948461 Energy: 0.9741132463527374 Energy: 0.9502511701275634 Energy: 0.951173030459787 Energy: 0.9499251023447731 Energy: 0.9533242340935447 Energy: 1.0514964424844138 Energy: 0.9498054917998584 Energy: 0.9526990003230422 Energy: 0.9516934879112575 Energy: 0.9526898733736152 Energy: 0.9515682274269602 Energy: 0.9855061560829895 Energy: 0.951322108391995 Energy: 1.0454268630814993 Energy: 1.0964248116290471 Energy: 1.0309477285228692 Energy: 1.0481930388228984 Energy: 1.0404318578007625 Energy: 1.0308148664201648 Energy: 1.109041999885612 Energy: 1.1048997748463096 Energy: 1.1039490952563848 Energy: 1.1087269406852984 Energy: 1.1047787045925768 Energy: 1.0429624059901719 Energy: 1.0425815094975437 Energy: 1.1198541799494932 Energy: 1.1036327241189192 Energy: 1.0917118590780586 Energy: 1.0094864922262599 Energy: 1.0427366289479088 Energy: 1.0462933109586203 Energy: 1.0375203345894237 Energy: 1.0949654120673562 Energy: 1.0499610200433982 Energy: 1.014150984891336 Energy: 1.0297826732608384 Energy: 1.1039117689134041 Energy: 1.1263040322449378 Energy: 1.1258789208423554 Energy: 1.1038483400669112 Energy: 1.0313153192190565 Energy: 1.1257138286416686 Energy: 1.047876042617489 Energy: 1.0395962802465286 Energy: 1.098289555358047 Energy: 1.039429324776758 Energy: 1.0418022584648265 Energy: 1.097120663234252 Energy: 1.0468218816896524 Energy: 0.9506010850695985 Energy: 1.0135692245112473 Energy: 1.0026113313904659 Energy: 0.9503301852954703 Energy: 1.0308637016789877 Energy: 1.0392584635932416 Energy: 0.9509329961074848 Energy: 0.9509777092625477 Energy: 1.0406828432006714 Energy: 0.9503801840885469 Energy: 0.9508678721586901 Energy: 1.0503510375373304 Energy: 0.9527183527103925 Energy: 0.9526534626671127 Energy: 0.9838749449540581 Energy: 0.9541242551131158 Energy: 0.9745440204784288 Energy: 1.0675695030125578 Energy: 0.989330363011495 Energy: 0.9863439774896824 Energy: 1.0519405083816822 Energy: 1.028103240215642 Energy: 0.9839172850470438 Energy: 1.0508593236935413 Energy: 1.039696818344741 Energy: 1.0508801358173614 Energy: 1.0506979076412457 Energy: 1.0093683769818091 Energy: 1.0500393685616574 Energy: 1.0535404616192703 Energy: 1.0791230964609404 Energy: 1.0977729638057916 Energy: 1.05153596778052 Energy: 1.007022164386171 Energy: 1.0375307801177882 Energy: 1.1497440974410849 Energy: 1.0002544394042003 Energy: 1.0387967081917822 Energy: 1.1191889033109332 Energy: 1.0061592463990185 Energy: 1.051956450195104 Energy: 1.208958756137996 Energy: 1.2958208565169098 Energy: 1.196207231723589 Energy: 1.1121769636236445 Energy: 1.2940839394725823 Energy: 1.196298393900772 minimum gb energy = 0.9498054917998584 eV minimum distance = 2.21154720304426 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 1.0673378703600098 Energy: 1.2039947309940697 Energy: 1.2027491388907108 Energy: 1.0666568570315942 Energy: 0.9596314137456121 Energy: 1.2039729604132094 Energy: 0.9600795163616019 Energy: 0.960357504191415 Energy: 0.9624538434311194 Energy: 0.9598108317760783 Energy: 0.9611709263585676 Energy: 0.9565140691073966 Energy: 0.9570649823567872 Energy: 0.9215892363182902 Energy: 0.9195304850059792 Energy: 0.957165133623075 Energy: 0.8359172753394963 Energy: 0.919242583275448 Energy: 0.9567710034925313 Energy: 0.9186112455832458 Energy: 0.8374271145147069 Energy: 0.957814322076625 Energy: 0.9221567128461452 Energy: 0.9558237114786297 Energy: 0.9555862345795887 Energy: 0.8981615582494346 Energy: 0.8947334648697904 Energy: 0.9554173713047355 Energy: 0.9002245809859086 Energy: 0.8962592788298357 Energy: 0.9559739712438292 Energy: 0.9801286306644872 Energy: 0.9790352518572734 Energy: 0.8955742212413552 Energy: 0.9610361549737138 Energy: 0.9801446758287965 Energy: 0.963842903344457 Energy: 0.9557759125125234 Energy: 0.9552502582324705 Energy: 0.9632745701160432 Energy: 0.9552659448594879 Energy: 0.9561908685989395 Energy: 1.0061769872287116 Energy: 0.958776972891891 Energy: 0.9579934029755526 Energy: 0.8838164500619583 Energy: 0.9567202191612277 Energy: 0.9568994786376532 Energy: 0.9600748691660387 Energy: 0.960735262215463 Energy: 0.9580809665766908 Energy: 0.9599191235314881 Energy: 0.9608102128662575 Energy: 1.1171189788904683 Energy: 1.0626624729219698 Energy: 1.0423760742291284 Energy: 1.0399155442964618 Energy: 1.0632248831386888 Energy: 0.9462359420312304 Energy: 1.0206168128355613 Energy: 0.9583400973945654 Energy: 1.0381374787219801 Energy: 0.9578177762350146 Energy: 1.058288907112051 Energy: 1.0393183511054382 Energy: 1.054877252131013 Energy: 0.8345611856939945 Energy: 0.9638424773512444 Energy: 0.9599917915480909 Energy: 0.8339685654806469 Energy: 0.959963829086813 Energy: 1.0560480230459595 Energy: 0.8345797008526629 Energy: 1.053852911571135 Energy: 1.0558253935058828 Energy: 1.0547646643562076 Energy: 0.9605370939833752 Energy: 1.0556742369709349 Energy: 1.1841436763411297 Energy: 0.959266688778245 Energy: 0.9567937980088117 Energy: 1.06374233470282 Energy: 0.9609833610335383 Energy: 0.9581974368989519 Energy: 0.9567172798039465 Energy: 0.9215724952634776 Energy: 0.9218983106769109 Energy: 0.9610160438037574 Energy: 0.9207569761840865 Energy: 0.9241002030216472 Energy: 0.9604431116286639 Energy: 0.8986210027493502 Energy: 0.9553570727307419 Energy: 0.9640902543112281 Energy: 0.8961492231045505 Energy: 0.9544815241881742 Energy: 0.958436099140069 Energy: 0.9852481436962597 Energy: 0.9863881448344167 Energy: 0.9603068988964844 Energy: 0.9796490551415358 Energy: 0.9858477308777339 Energy: 1.0514200350994942 Energy: 0.9563977506625656 Energy: 0.8953325415656418 Energy: 1.0570895568709648 Energy: 0.9563327672069596 Energy: 0.895377479326797 Energy: 0.9590402580758489 Energy: 0.9558469257621959 Energy: 0.9564528736792255 Energy: 0.9598695023166406 Energy: 0.9556581385161823 Energy: 0.9569144682951201 Energy: 0.9583667256380937 Energy: 1.056015075033357 Energy: 1.056960679419527 Energy: 0.9597899740694366 Energy: 0.954467825268782 Energy: 1.0561122474008375 Energy: 1.0559808191050548 Energy: 0.9597749244680558 Energy: 1.1180682904874444 Energy: 1.0577193488777645 Energy: 0.9613717572843433 Energy: 0.9574746740674106 Energy: 1.3608538365139315 Energy: 1.0476770212525128 Energy: 1.0488566591277797 Energy: 1.359709041222762 Energy: 1.0464009585823197 Energy: 1.0495886612418994 Energy: 1.0780656231027006 Energy: 0.960066281950345 Energy: 0.956783780626279 Energy: 1.065721928754589 Energy: 0.9599017235343005 Energy: 0.958049947194663 Energy: 0.8345269001983691 Energy: 0.9554205742119258 Energy: 1.0556686234966433 Energy: 1.0554698552188098 Energy: 1.1173995820723837 Energy: 1.0553411521768572 minimum gb energy = 0.8339685654806469 eV minimum distance = 2.23254754639005 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 1.3000447637579382 Energy: 1.30954276265605 Energy: 1.3080921147069369 Energy: 1.0217544545722652 Energy: 1.1787133875301936 Energy: 1.0259464998827195 Energy: 1.1318844547065403 Energy: 1.1775241858502572 Energy: 1.0658846424717467 Energy: 1.1774730948495828 Energy: 1.1809412085246551 Energy: 0.9747742748992843 Energy: 1.2310114540738943 Energy: 0.9160617762942035 Energy: 0.9153667921070934 Energy: 1.23075174440398 Energy: 0.9146308732822099 Energy: 0.9136457678345394 Energy: 1.0642825346557072 Energy: 0.912559909922931 Energy: 0.9127367876446686 Energy: 1.064377437642442 Energy: 0.9626824862809572 Energy: 1.0641065683407114 Energy: 0.8858158056617077 Energy: 0.9657035084294945 Energy: 0.9666624546744343 Energy: 0.8871191173122981 Energy: 0.9671408179038508 Energy: 0.964914998945054 Energy: 1.0449001821528396 Energy: 0.8717021372481889 Energy: 0.8730765508792571 Energy: 0.9642613602789059 Energy: 0.8709357012936902 Energy: 0.9695982621041292 Energy: 0.9536454802739783 Energy: 0.8692372536251339 Energy: 0.8694019165867062 Energy: 0.9534859043176991 Energy: 0.8701069782046376 Energy: 0.8712622907535199 Energy: 0.8713739829353072 Energy: 0.9673712536951268 Energy: 0.9688586979763071 Energy: 0.8706682270167945 Energy: 0.9714120767037138 Energy: 0.9674636074963013 Energy: 0.8724467634124815 Energy: 0.9393360561278622 Energy: 0.8720157990924965 Energy: 0.8750127657618141 Energy: 1.0585865692230028 Energy: 0.8711682147331266 Energy: 0.8707766703261934 Energy: 0.8744373880221529 Energy: 0.8755610321609062 Energy: 0.8711011466027997 Energy: 0.8745234305575567 Energy: 0.8719817668933955 Energy: 0.8714038815797862 Energy: 0.9707930241492729 Energy: 0.9650366474388231 Energy: 1.045002967475837 Energy: 0.9895156463909317 Energy: 0.964968487432521 Energy: 1.0551347380987477 Energy: 1.065963307274721 Energy: 1.0648875838401752 Energy: 1.05481581133875 Energy: 1.0661614084513316 Energy: 1.0658567533987087 Energy: 0.9756196353192009 Energy: 1.066187252593088 Energy: 1.0671434964298452 Energy: 0.9627453561659891 Energy: 1.2180940998450023 Energy: 1.0676195115700327 Energy: 0.8720111278669798 Energy: 1.0659770127956285 Energy: 1.0666748412556826 Energy: 0.8707703650021608 Energy: 1.1780283301643157 Energy: 0.9641735546886193 Energy: 1.1783174921489328 Energy: 1.100283670882279 Energy: 1.0977175091784255 Energy: 1.1791310744281425 Energy: 1.0426026128477657 Energy: 1.1372387371068087 Energy: 1.054300003654305 Energy: 1.1770753299958943 Energy: 0.9732507061499531 Energy: 1.1802885464815371 Energy: 1.177097584964376 Energy: 1.0658253800298383 Energy: 0.9683467429777596 Energy: 1.064575241953236 Energy: 1.1025742598170936 Energy: 1.0393791230249234 Energy: 1.1819564198934662 Energy: 1.186659893939228 minimum gb energy = 0.8692372536251339 eV minimum distance = 2.23592936835757 Angstroms sigma value = 17 ======================================== theta = 97.054131382119 ======================================== Energy: 1.409809245180244 Energy: 1.3061702336711183 Energy: 1.0744935284281039 Energy: 1.0723148401103262 Energy: 1.1745787791780282 Energy: 1.0720550126937125 Energy: 1.1573089072736806 Energy: 1.0252970860229687 Energy: 1.0298331730116679 Energy: 1.0962516053003288 Energy: 1.0928712200360593 Energy: 1.0278745209426066 Energy: 1.0845611660964343 Energy: 0.9408366049609577 Energy: 0.9970652170504889 Energy: 1.0833998612853877 Energy: 0.9406127625689996 Energy: 0.996299114739286 Energy: 1.0194402804322387 Energy: 0.9967162303190643 Energy: 0.9966117300993155 Energy: 1.0198026521594825 Energy: 1.047101181584616 Energy: 0.9967548416058573 Energy: 1.0339355132811143 Energy: 1.027642938514087 Energy: 1.0248025124283533 Energy: 1.0353094352607761 Energy: 1.0250532862999688 Energy: 1.024078233708212 Energy: 1.0100577794820484 Energy: 0.9270578624816995 Energy: 0.9459149430902237 Energy: 0.9482377794416431 Energy: 0.9268096344852782 Energy: 0.9454081897906329 Energy: 1.0144525168251717 Energy: 0.9280123998144653 Energy: 0.9256200076580591 Energy: 1.0146025883587921 Energy: 0.9309365248748929 Energy: 0.9274802162483281 Energy: 0.9926049213681196 Energy: 0.8899859143671811 Energy: 0.9947133644777422 Energy: 0.9966448435160353 Energy: 0.8914562002117464 Energy: 0.992572750685852 Energy: 0.8357421228272981 Energy: 0.8344158006750577 Energy: 0.8310534861953505 Energy: 0.8375412237598657 Energy: 1.024787668516147 Energy: 0.8302395150422125 Energy: 0.829985732187438 Energy: 0.9715076826152259 Energy: 0.9674088694407035 Energy: 0.8301807444474943 Energy: 0.9633077471103574 Energy: 0.9165421056670177 Energy: 0.9905425114394159 Energy: 0.8323602973242809 Energy: 0.8317526467515944 Energy: 0.9592480821909601 Energy: 0.8302767620097532 Energy: 0.918365979352806 Energy: 1.0207330545753897 Energy: 0.8310253968500829 Energy: 0.8306996824878676 Energy: 1.0217802578281814 Energy: 0.832495342654074 Energy: 0.8317985734053437 Energy: 0.9272132396135648 Energy: 0.9882103636083702 Energy: 0.9892375157628138 Energy: 0.9277265337515289 Energy: 0.9937181549214481 Energy: 0.9955078568076219 Energy: 0.9252227426258244 Energy: 0.9919713515475488 Energy: 0.9275842124388252 Energy: 0.927701050486308 Energy: 1.009000506207321 Energy: 0.9284611480239652 Energy: 0.928265727836162 Energy: 0.9972920601184958 Energy: 0.9998338097015292 Energy: 0.9284288833071737 Energy: 0.9971771861040634 Energy: 0.9297518865684276 Energy: 1.0917585770319411 Energy: 1.0183944048365436 Energy: 0.9286797479810339 Energy: 1.095962243990656 Energy: 1.0342248564962417 Energy: 0.9279934835170764 Energy: 1.0237771737749937 Energy: 1.0200631752128357 Energy: 1.020876086268772 Energy: 1.027403211081098 Energy: 1.019994242479384 Energy: 0.9239494217337807 Energy: 1.0276188339996621 Energy: 1.021127863314484 Energy: 1.0204746581844795 Energy: 1.0314397329366602 Energy: 1.019423204943523 Energy: 1.0136211471384209 Energy: 1.0937171172390296 Energy: 1.0188226013847057 Energy: 1.0495147447664444 Energy: 1.0942236310291897 Energy: 1.1189313008422228 Energy: 1.0238753168816395 Energy: 1.166602583718828 Energy: 1.009429896242877 Energy: 1.0072652226319718 Energy: 1.1659433052474906 Energy: 1.0108764981717713 Energy: 1.0819156708009359 Energy: 1.0816325832797271 Energy: 1.029495660059601 Energy: 1.0282227658432597 Energy: 1.0954915835215369 Energy: 1.093509679335147 Energy: 1.0245746033707106 Energy: 1.0308896888620611 Energy: 1.0962901362857567 Energy: 1.0194710607768358 Energy: 0.9897913374499601 Energy: 1.2434259078358618 Energy: 0.9894041786302494 Energy: 1.028926536265068 Energy: 1.0214599602680363 Energy: 1.024823208610208 Energy: 1.0290635227780145 Energy: 1.096389891934346 Energy: 1.0292925282620555 Energy: 1.0855378394613426 Energy: 0.9986616856776465 Energy: 1.0277085500949368 Energy: 1.0958259117390823 Energy: 1.0506928486878406 Energy: 1.0227487929109236 Energy: 1.0249021149878055 Energy: 0.9412053228126244 Energy: 0.9964308302776618 Energy: 1.0213346821841653 Energy: 0.9449885275277728 Energy: 0.9971781606478409 Energy: 1.0190210926093872 Energy: 1.0238681673002497 Energy: 1.02305064953294 Energy: 1.0192964936254036 Energy: 1.0245452686620458 Energy: 1.048064083394924 Energy: 1.0122310962175616 Energy: 1.021027890020072 Energy: 1.024403950453892 Energy: 0.9493956027878916 Energy: 1.100270063582405 Energy: 0.9454005648661351 Energy: 1.0106648495669779 Energy: 0.9264297981358789 Energy: 0.9254719342782222 Energy: 1.0102575765513464 Energy: 0.9287850757962107 Energy: 0.9257583844377123 Energy: 1.00412771734516 Energy: 0.9039829475766188 Energy: 0.9188989039040577 Energy: 1.0000175736972734 Energy: 0.9265575647489706 Energy: 0.9194654072812815 Energy: 0.8307235685367209 Energy: 0.8973620764032108 Energy: 0.8332125501665475 Energy: 0.8306569070825747 Energy: 0.8914202938732882 Energy: 0.8315603953045915 Energy: 0.8325112906369059 Energy: 0.920129642931365 Energy: 0.9192648770063042 Energy: 0.8322238848629914 Energy: 0.9214976038879737 Energy: 0.8310740143919594 Energy: 0.8325157470997232 Energy: 0.9620667436760344 Energy: 0.9549658322066774 Energy: 0.9532415615989079 Energy: 0.8325502442765714 Energy: 0.9537612263230407 Energy: 1.026594066016911 Energy: 0.8323814787318508 Energy: 0.8304109796172496 Energy: 1.0286446581577753 Energy: 0.8347801738195351 Energy: 0.8302446180087869 Energy: 0.9289240781115428 Energy: 0.9460145227139986 Energy: 1.0006210403343494 Energy: 0.992846755789462 Energy: 0.8334906880012296 Energy: 1.0058616210923406 Energy: 0.9285662042158849 Energy: 0.9907156069762907 Energy: 0.9917138129537127 Energy: 0.9287533671668815 Energy: 0.9912992542120224 Energy: 0.9832267121248248 Energy: 0.9283611951141318 Energy: 0.9215042982637351 Energy: 0.9277527946236203 Energy: 0.9284561936074277 Energy: 0.922655749257692 Energy: 0.9283961023178502 Energy: 1.089115389531929 Energy: 0.9304085922512298 Energy: 0.9288014347908256 Energy: 1.090955739950992 Energy: 1.036263463252076 Energy: 0.9279537560249486 Energy: 1.025247275352566 Energy: 1.0233275051377184 Energy: 1.0243308694670117 Energy: 1.1131372750453685 Energy: 1.0227479461799305 Energy: 1.025200957920617 Energy: 1.0265863395295602 Energy: 1.2464721644884327 Energy: 1.0133745495484734 Energy: 1.0151570825378333 Energy: 1.2467895503148954 Energy: 1.013296637349557 Energy: 1.0947563136359726 Energy: 1.0220068722518476 Energy: 1.0216908260124355 Energy: 1.0951834768917026 Energy: 1.0224289267502986 Energy: 1.044549742947418 Energy: 1.0931579189353908 Energy: 0.9202617756583401 Energy: 1.0147618372324951 Energy: 1.0932850698646845 Energy: 0.9203814649792958 Energy: 1.0152648293442257 Energy: 1.0858561705470835 Energy: 1.033545484129442 Energy: 1.0154649559599787 Energy: 1.0848999222237972 Energy: 1.1124029996038005 Energy: 1.0222284316874328 Energy: 1.0288004901755468 Energy: 1.0203238056282478 Energy: 1.0225777852604772 Energy: 1.028838006948 Energy: 1.096930239553361 Energy: 1.0291930366103081 minimum gb energy = 0.829985732187438 eV minimum distance = 2.20600442775377 Angstroms sigma value = 57 ======================================== theta = 99.36891557845483 ======================================== Energy: 1.2478762230287712 Energy: 1.0626205666724606 Energy: 1.0937342754083046 Energy: 1.066946813210006 Energy: 1.1694827607926574 Energy: 1.09276022155285 Energy: 1.1531314774745685 Energy: 1.0525036398836471 Energy: 1.0532810111219029 Energy: 1.103994284246049 Energy: 1.105275901441058 Energy: 0.967376043072438 Energy: 1.2368714591232306 Energy: 0.8957203901757376 Energy: 0.8970925866241122 Energy: 1.0966585977241778 Energy: 0.8962211795050345 Energy: 1.0300362132373815 Energy: 1.0465259826601299 Energy: 0.8960692923833405 Energy: 1.0289943625216642 Energy: 1.046488359322074 Energy: 0.9730922963817751 Energy: 1.0328555725245994 Energy: 1.0101663595112953 Energy: 1.0511942975982573 Energy: 0.9644069585575568 Energy: 1.0115954317354754 Energy: 1.05192211782435 Energy: 0.966463457862068 Energy: 0.9375862909741081 Energy: 0.9631656079799022 Energy: 0.9778744954192634 Energy: 0.9068327455733439 Energy: 0.9631522649772294 Energy: 0.9782358100287109 Energy: 1.018036764506505 Energy: 0.9640628417644148 Energy: 0.9648314542906434 Energy: 1.0187127894563055 Energy: 0.968711201694431 Energy: 0.9407839476889492 Energy: 1.0226780362392658 Energy: 0.9066759461707158 Energy: 0.901654684182547 Energy: 1.0231237415807857 Energy: 0.9730108837599822 Energy: 0.9492593873048727 Energy: 0.8615050421721063 Energy: 0.8589252029639705 Energy: 0.8597035338420713 Energy: 0.8631099674208742 Energy: 0.9385759370640616 Energy: 0.8592481040972991 Energy: 0.859730906170053 Energy: 0.967711344402488 Energy: 0.9648106679402062 Energy: 0.8598774575669407 Energy: 0.9682858809849373 Energy: 0.966130825412289 Energy: 0.9108418582348046 Energy: 0.8069512991101965 Energy: 0.8052613388930367 Energy: 0.8769236396066655 Energy: 0.8068015759936085 Energy: 0.8078750481234409 Energy: 0.9910131894741093 Energy: 0.8067249905808602 Energy: 0.8076502384865268 Energy: 0.9920878585596102 Energy: 0.8069072110564507 Energy: 0.8053737057815133 Energy: 0.8098532772726896 Energy: 0.9411478883879348 Energy: 0.9379959198037544 Energy: 0.8106797109419396 Energy: 0.9363531242637076 Energy: 0.9375901058977917 Energy: 0.807760490563527 Energy: 0.8990262840871196 Energy: 0.8060208212983918 Energy: 0.8100673775365694 Energy: 0.9982039957631772 Energy: 0.8069438562436662 Energy: 0.805581958581527 Energy: 0.9568260412282301 Energy: 0.9781192359505866 Energy: 0.8057871585089565 Energy: 0.9571138516184042 Energy: 0.9774725167384515 Energy: 0.9918958879790791 Energy: 0.8605008871315307 Energy: 0.8580039838611712 Energy: 0.9639811771217113 Energy: 0.8599955253499688 Energy: 0.974914769617041 Energy: 0.9473231403885506 Energy: 0.859753851238746 Energy: 0.8600284883112688 Energy: 0.9559637495859741 Energy: 0.8592556718869113 Energy: 0.8587738685892433 Energy: 0.9524576313478964 Energy: 1.0146795908711148 Energy: 0.9473955689730685 Energy: 0.9489787870790823 Energy: 1.0152135416329067 Energy: 0.9459258353878184 Energy: 0.9656856420683313 Energy: 1.0158084722122962 Energy: 0.9688133183802069 Energy: 0.9688042541491635 Energy: 1.0394072171726516 Energy: 0.9707386095816186 Energy: 1.1187754772504261 Energy: 0.9470033830410755 Energy: 0.9400377201781414 Energy: 1.1204236944025179 Energy: 1.0106879839090273 Energy: 1.0482438497607913 Energy: 1.1059362541679771 Energy: 1.050314355226194 Energy: 1.0783625829420032 Energy: 1.1053482887767556 Energy: 1.044666675893524 Energy: 0.9676237427213505 Energy: 1.0003921571725198 Energy: 1.0480600538864706 Energy: 0.962193787648577 Energy: 0.9611609622457814 Energy: 1.0472518709876038 Energy: 0.9600135235516215 Energy: 1.0239831414106415 Energy: 1.0460985521977513 Energy: 1.0467856040345944 Energy: 1.0647069644315066 Energy: 1.0447357442452814 Energy: 1.0467385597554744 Energy: 1.1055880327787115 Energy: 1.0390536039405474 Energy: 0.9699254415498159 Energy: 1.1072282325553289 Energy: 1.1195105324673924 Energy: 1.049672057953145 Energy: 1.2330092134668447 Energy: 1.0382137398627402 Energy: 1.0363638798808648 Energy: 1.2330312419328098 Energy: 0.9573798387705276 Energy: 1.0377635272931256 Energy: 1.0976049428796795 Energy: 1.049053162811607 Energy: 1.0515384657657745 Energy: 1.1043515971914284 Energy: 1.1081776204445455 Energy: 1.0518368843753374 Energy: 1.0079557771471699 Energy: 1.1048116461224695 Energy: 1.022948047721437 Energy: 0.8979952126159646 Energy: 1.230234723264573 Energy: 1.0211255684663636 minimum gb energy = 0.8052613388930367 eV minimum distance = 2.26687818607292 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 1.1769906251677777 Energy: 1.2217319798518664 Energy: 1.086531534357192 Energy: 0.9915434442040618 Energy: 1.190992282968027 Energy: 0.982634805520828 Energy: 1.113834510784869 Energy: 1.0344084094956127 Energy: 0.9694546884024375 Energy: 1.0321298953502351 Energy: 1.0310022720821763 Energy: 0.9690858229519522 Energy: 1.1647766949085474 Energy: 0.8309175488668614 Energy: 0.9082079331434803 Energy: 1.16528578985921 Energy: 0.8311845090661544 Energy: 0.9077942181983922 Energy: 1.0322595594885828 Energy: 0.9077411188691729 Energy: 0.9080242170504538 Energy: 1.0332742688913816 Energy: 0.9199594572530777 Energy: 1.0182697655515178 Energy: 0.9958952610947978 Energy: 0.9674892152539375 Energy: 0.9679948343226982 Energy: 0.9940957416942331 Energy: 1.0348173938061689 Energy: 0.9679812990985676 Energy: 0.8748366449335537 Energy: 0.9728860842219663 Energy: 0.9133479859118983 Energy: 0.9025522770665123 Energy: 0.9728832899699532 Energy: 0.901756638887665 Energy: 1.003038889656625 Energy: 0.9669255322962022 Energy: 0.9685426765269419 Energy: 1.0031535573742225 Energy: 0.9670856522272457 Energy: 0.9706190042124726 Energy: 1.0076366137098878 Energy: 0.853427058518483 Energy: 0.8334521502879011 Energy: 1.0089944737361038 Energy: 0.8517010970704222 Energy: 0.9033462200397617 Energy: 0.8740674683735439 Energy: 0.8327596585853929 Energy: 0.8737260800742798 Energy: 0.8738521266078444 Energy: 0.9381566453536307 Energy: 0.8744302604941802 Energy: 0.8746312247554915 Energy: 0.950168291449478 Energy: 0.8851241946960572 Energy: 0.8749579739143031 Energy: 0.9509957462461825 Energy: 0.8846371860911177 Energy: 0.845190232490991 Energy: 0.8055788406230419 Energy: 0.8054338283862693 Energy: 0.7929778564527837 Energy: 0.8055387212307124 Energy: 0.855790987093382 Energy: 0.9377446494732962 Energy: 0.8062954361932373 Energy: 0.8054832134659723 Energy: 0.9408853896328688 Energy: 0.8062952934290829 Energy: 0.8961818749662493 Energy: 0.9141169758601942 Energy: 0.7824212699653156 Energy: 0.9040270927756239 Energy: 0.9172187284115456 Energy: 0.8878414462094808 Energy: 0.9039309076156549 Energy: 0.7634802065209726 Energy: 0.7627659625419777 Energy: 0.76199151474911 Energy: 0.763875596734846 Energy: 0.9291094971287146 Energy: 0.7620577880835524 Energy: 0.7631177706477158 Energy: 0.8869620996085937 Energy: 0.887108956249386 Energy: 0.763456018071038 Energy: 0.7412333978431487 Energy: 0.8834217027927249 Energy: 0.8350712339104421 Energy: 0.7412950994630458 Energy: 0.7412024790775487 Energy: 0.9052921959158716 Energy: 0.7409718651987028 Energy: 0.8960009906592624 Energy: 0.8947487829307107 Energy: 0.7421005778642249 Energy: 0.7409792029231219 Energy: 0.895049777308986 Energy: 0.7410705845703405 Energy: 0.8891911932904084 Energy: 0.7422628029472301 Energy: 0.8845457696799913 Energy: 0.8808252742238323 Energy: 0.7419132019919923 Energy: 0.7729025872666776 Energy: 0.8810558996403494 Energy: 0.7410722709008106 Energy: 0.9202078189792869 Energy: 0.7411370668833295 Energy: 0.7434669216243959 Energy: 0.9198844733733235 Energy: 0.741626218954708 Energy: 0.8952327457768205 Energy: 0.8835228005804423 Energy: 0.8836578641750918 Energy: 0.8989892867426645 Energy: 0.8934828278481903 Energy: 0.8836806722800874 Energy: 0.921629849483858 Energy: 0.762861516233582 Energy: 0.76224794952208 Energy: 0.8959004032152998 Energy: 0.7626821124225105 Energy: 0.90269803284099 Energy: 0.8569587455834183 Energy: 0.7622209030167295 Energy: 0.7619092773779953 Energy: 0.7627813730666944 Energy: 0.7621021163324811 Energy: 0.763941380194954 Energy: 0.8064215987241871 Energy: 0.9068488454338155 Energy: 0.9085630581507665 Energy: 0.8066462554374075 Energy: 0.763008207821812 Energy: 0.9041235417541441 Energy: 0.8071580688280781 Energy: 0.8069479414544697 Energy: 0.8056143682490772 Energy: 0.8075938576973696 Energy: 0.9392026814951016 Energy: 0.805791210079529 Energy: 0.9525560766384206 Energy: 0.8408181017558615 Energy: 0.9452864767252367 Energy: 0.9536324542167381 Energy: 0.9014966709085126 Energy: 0.9444416096216451 Energy: 0.95843571578827 Energy: 0.8747251753903891 Energy: 0.8748686772586168 Energy: 0.9580411799963818 Energy: 0.8743306297162446 Energy: 0.9446053783380566 Energy: 0.8760789250259842 Energy: 0.8748530417420589 Energy: 0.8743145135338205 Energy: 0.8092948405917875 Energy: 0.8751105676945964 Energy: 0.876335277172277 Energy: 0.9044617365931864 Energy: 0.877076269149994 Energy: 0.8745646225878131 Energy: 0.9469326731810509 Energy: 1.0055722757980625 Energy: 0.875546612665622 Energy: 0.9688366503131745 Energy: 0.8714004074228514 Energy: 0.9728091607655149 Energy: 0.9694658013088527 Energy: 0.9890315098167379 Energy: 0.9733002735524768 Energy: 1.0798623136661225 Energy: 0.8782550905543527 Energy: 0.8701220300520136 Energy: 1.0758800207284078 Energy: 0.8797943648601053 Energy: 0.9410671801938125 Energy: 1.0759855221376096 Energy: 1.0361860191929873 Energy: 0.9704690234941906 Energy: 1.0320188389663894 Energy: 1.030655045695703 Energy: 0.968201739320253 Energy: 0.914785369577141 Energy: 1.0980813034761026 Energy: 0.9632065338221056 Energy: 0.8742778532781043 Energy: 1.0975800766907944 Energy: 0.9267597640859266 Energy: 1.0236213991851115 Energy: 1.031280338512917 Energy: 1.0348830913803002 Energy: 0.9993656347256799 Energy: 1.0320204308540633 Energy: 0.9687174337534694 Energy: 1.0735859756951374 Energy: 0.9589779591537417 Energy: 0.9585058377400625 Energy: 1.0753814434608848 Energy: 0.9729464700293438 Energy: 1.0241519018963812 Energy: 1.1644549056812452 Energy: 0.9097290306766316 Energy: 0.9597005032281931 Energy: 1.1647649735366885 Energy: 0.8680281182639664 Energy: 0.9581718042974422 Energy: 1.068429835920757 Energy: 1.033978924061597 Energy: 0.9700248315973976 Energy: 1.076592778610114 Energy: 1.031457096998865 Energy: 0.9684223609605861 minimum gb energy = 0.7409718651987028 eV minimum distance = 2.25483125197348 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.33950839908745806 Energy: 0.42016658378742044 Energy: 0.2109047081083586 Energy: 0.21075741487151997 Energy: 0.476336086839663 Energy: 0.33968569283202993 Energy: 0.4201954815661369 Energy: 0.47564800870364343 Energy: 0.476421345438841 Energy: 0.6206735384704279 Energy: 0.4758751724600572 Energy: 0.46000556551387106 Energy: 0.5605465001224816 Energy: 0.21116098102906788 Energy: 0.21108454605885932 Energy: 0.6130546891553897 Energy: 0.21112538182822918 Energy: 0.30595596954833326 Energy: 0.5064786182313012 Energy: 0.21086397079507443 Energy: 0.21093077967251653 Energy: 0.5131920494524915 Energy: 0.21117837943155618 Energy: 0.30676402914983436 Energy: 0.30577773495387983 Energy: 0.5740070970111185 Energy: 0.5738320738356366 Energy: 0.30673608623655196 Energy: 0.5749447547050153 Energy: 0.5751270789387438 Energy: 0.21305032800519239 Energy: 0.49575586406998107 Energy: 0.21176188079871205 Energy: 0.21080817446706412 Energy: 0.4969078704113367 Energy: 0.21087980275061485 Energy: 0.5857999893033466 Energy: 0.49443611704238744 Energy: 0.4957575480950251 Energy: 0.5892197441077869 Energy: 0.49572650841710614 Energy: 0.4964688058798771 Energy: 0.5879648354422404 Energy: 0.2110701259213782 Energy: 0.21099781244558116 Energy: 0.5938885971128747 Energy: 0.2111015172122181 Energy: 0.21186951545573457 Energy: 0.46049731076805045 Energy: 0.21093412668954886 Energy: 0.34442070078976866 Energy: 0.5382487239108361 Energy: 0.21101621504724255 Energy: 0.3055900450568746 Energy: 0.3404858501696425 Energy: 0.573024784396587 Energy: 0.5684385783300688 Energy: 0.21245440759629208 Energy: 0.5691027255904793 Energy: 0.5577771120303415 minimum gb energy = 0.21075741487151997 eV minimum distance = 2.34296663994872 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 1.2725277787690936 Energy: 1.2605579999455914 Energy: 1.1192177616345858 Energy: 1.0390560325826967 Energy: 1.2096564019230562 Energy: 0.9978076192527112 Energy: 1.1105135567736721 Energy: 1.1506686929088823 Energy: 1.1208494442898882 Energy: 1.0280591539350041 Energy: 1.1504303588261091 Energy: 1.1215318314214282 Energy: 1.0874450781981764 Energy: 1.011995308841116 Energy: 1.012455392188324 Energy: 1.044944509486137 Energy: 1.007443321863958 Energy: 1.1147895431824892 Energy: 1.041436134711662 Energy: 1.0150680971217156 Energy: 1.0098193592729814 Energy: 1.0449844545666986 Energy: 0.9226756866540888 Energy: 1.1138921265616 Energy: 0.9249966953924958 Energy: 1.122027355033485 Energy: 1.1210182031207625 Energy: 0.9252737032814196 Energy: 1.1508695144552075 Energy: 1.1208687186615363 Energy: 0.9276846581331811 Energy: 1.1231488515192396 Energy: 1.014273858362061 Energy: 0.9502590780714645 Energy: 1.1235437441375515 Energy: 0.9254827108697473 Energy: 1.0510925491172414 Energy: 1.0263744537729709 Energy: 1.0255776578729274 Energy: 1.0271294524225734 Energy: 0.9307147536579726 Energy: 1.0261195439767232 Energy: 1.0437427764103338 Energy: 0.9542002431965034 Energy: 0.9283377787092673 Energy: 1.0442955606941258 Energy: 0.8767579757991473 Energy: 0.9286682122812859 Energy: 1.0201725035831701 Energy: 0.9581653547345461 Energy: 1.0307193584912753 Energy: 1.0212483062749296 Energy: 0.8408719077952497 Energy: 1.0264531608607912 Energy: 0.8452862406617466 Energy: 0.9303568392056593 Energy: 0.9301484025020744 Energy: 0.9354875069491447 Energy: 0.9319490854291036 Energy: 0.929327963440843 Energy: 0.9456898832576321 Energy: 0.9633693310212726 Energy: 0.963894867178072 Energy: 0.9406096710789255 Energy: 0.9844263848033286 Energy: 0.8761902593383273 Energy: 0.8421845762870543 Energy: 0.9643406390250788 Energy: 0.9627912101592091 Energy: 0.842508144401514 Energy: 0.9593250732128925 Energy: 0.8435660011540812 Energy: 0.8438869426529896 Energy: 0.7859515006319827 Energy: 0.8776848221799143 Energy: 0.8437184953499759 Energy: 0.9128490626624016 Energy: 0.8428196124433709 Energy: 0.9455395321354229 Energy: 0.9238710780108655 Energy: 0.9323723004292027 Energy: 0.9216347450192889 Energy: 0.7910665973059178 Energy: 0.9311370288526024 Energy: 0.9072171882823495 Energy: 0.7881076888583256 Energy: 0.7886434501492463 Energy: 0.9077676992921486 Energy: 0.7898763621719308 Energy: 0.7884209910480002 Energy: 0.9088152649624008 Energy: 0.9173803425888116 Energy: 0.9205352157853316 Energy: 0.9073248344966989 Energy: 0.8959657881383777 Energy: 0.9199509935713677 Energy: 0.7628605065280764 Energy: 0.9035583788070084 Energy: 0.9004286466107582 Energy: 0.7628474080463319 Energy: 0.8881935022634994 Energy: 0.76324240144251 Energy: 0.7634661443333026 Energy: 0.9006022424525072 Energy: 0.9023710889878619 Energy: 0.7634018629311864 Energy: 0.9002288493360967 Energy: 0.7634070208848011 Energy: 0.9757425712606406 Energy: 0.7669368821343663 Energy: 0.9068648352934199 Energy: 0.9060461973936852 Energy: 0.7670051597582499 Energy: 0.9050626374033462 Energy: 0.887639868824259 Energy: 0.7635832055942957 Energy: 0.7632102282747267 Energy: 0.8919254534157732 Energy: 0.763548655538525 Energy: 0.7631082472714036 Energy: 0.9048143091323093 Energy: 0.9148374461784213 Energy: 0.9147423388190402 Energy: 0.8893815819678711 Energy: 0.8517412341384387 Energy: 0.9166149037232786 Energy: 0.7889869096180854 Energy: 0.8563712207296585 Energy: 0.7897872291281336 Energy: 0.7887134881869455 Energy: 0.9084868433547305 Energy: 0.7887884748037159 Energy: 0.7896838724159287 Energy: 0.9232059899382102 Energy: 0.924946960517115 Energy: 0.7900719734998294 Energy: 0.9205510040990874 Energy: 0.9219337588180595 Energy: 1.0568491509287332 Energy: 0.8446304069030884 Energy: 0.8431456280225351 Energy: 0.9431041875717147 Energy: 0.8442795406750732 Energy: 0.8077755241184396 Energy: 0.9516537771692074 Energy: 0.8429660051457963 Energy: 0.843141899899906 Energy: 0.9516864267336194 Energy: 0.8422912165613408 Energy: 0.8428382210306036 Energy: 0.9552016969799273 Energy: 0.9518056437097943 Energy: 0.9509516297626318 Energy: 0.9563113339745385 Energy: 0.9482122573424783 Energy: 0.9640474675002924 Energy: 0.9294085322528255 Energy: 0.9492644758428681 Energy: 0.9166490307734462 Energy: 0.9327931354362529 Energy: 0.898425663605116 Energy: 0.9291828266921389 Energy: 0.8758746735703945 Energy: 1.0246706380914634 Energy: 1.0283892711416387 Energy: 0.8760150863081609 Energy: 1.0289672788465138 Energy: 1.0299766164857187 Energy: 0.9699996345520968 Energy: 1.0414985458729937 Energy: 0.9840758513585058 Energy: 0.9276171199685209 Energy: 1.0407726063024112 Energy: 0.8735409970856819 Energy: 1.0270286837317109 Energy: 1.0268650305773885 Energy: 1.0254098187828784 Energy: 1.026685004538651 Energy: 1.0287289313114314 Energy: 1.0267577013055236 Energy: 1.025339830740455 Energy: 0.9736413542502141 Energy: 0.9731163860278661 Energy: 1.025565124139307 Energy: 0.9256400620661783 Energy: 0.9771130700318469 Energy: 1.1697302514399874 Energy: 0.9805834808972851 Energy: 1.0561269145159864 Energy: 1.1522616938934944 Energy: 0.8726026532391311 Energy: 1.0262023813169494 Energy: 0.9733178468308533 Energy: 1.0436461785371718 Energy: 1.0437774858285804 Energy: 0.9737466566504996 Energy: 1.044537847044381 Energy: 1.0822184318819015 minimum gb energy = 0.7628474080463319 eV minimum distance = 2.22878238407663 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 1.1850068760505548 Energy: 1.2843508680033446 Energy: 1.1217632372018276 Energy: 0.9707027031745231 Energy: 1.2562582152561617 Energy: 1.1159913802975958 Energy: 1.1332927557306711 Energy: 1.1809545442758806 Energy: 1.1787110406733683 Energy: 1.1317471658502636 Energy: 1.1784301906832195 Energy: 1.1322542238189641 Energy: 1.2268482293179233 Energy: 1.0093402802139066 Energy: 1.125112766148469 Energy: 1.178945000812905 Energy: 1.0805604334042844 Energy: 1.12902194813366 Energy: 1.040581569303337 Energy: 1.1239691228484163 Energy: 1.1231378527228697 Energy: 1.0396210365917826 Energy: 1.0208790423746574 Energy: 1.1242047702145574 Energy: 1.0490337797975875 Energy: 1.1813078013920428 Energy: 1.1322944564801631 Energy: 1.0110033538658563 Energy: 1.1794683726635198 Energy: 1.1301718036633832 Energy: 1.0781930884260065 Energy: 1.1408634246092668 Energy: 1.0039199952222961 Energy: 1.0679680259746744 Energy: 1.139925675718233 Energy: 1.0059060109243003 Energy: 1.0559897827416809 Energy: 1.0110816593829577 Energy: 1.0103559164797116 Energy: 1.0108250715375708 Energy: 1.01511130137882 Energy: 1.009991773845284 Energy: 1.0391291289315516 Energy: 0.9258267414095387 Energy: 0.9268531074446826 Energy: 1.0430732517116066 Energy: 0.9229530853100747 Energy: 1.0094519694389918 Energy: 1.037107366141452 Energy: 1.0197051303490656 Energy: 1.0204168035016832 Energy: 1.0377183287228389 Energy: 0.9022775791877077 Energy: 1.019968532112347 Energy: 1.0128175514525366 Energy: 0.9010015481418844 Energy: 0.9006027627201416 Energy: 1.015061007149104 Energy: 0.9035759675174495 Energy: 0.9004321210283461 Energy: 1.0085031674010574 Energy: 1.0104579473669386 Energy: 0.9851458794151029 Energy: 0.9320541021102656 Energy: 0.9628690129306247 Energy: 0.9321967715208089 Energy: 0.8357316199057231 Energy: 0.9649083107785602 Energy: 0.9647292663824528 Energy: 0.8360846327170283 Energy: 0.9651537489288542 Energy: 0.8347042862335441 Energy: 0.8333399350394016 Energy: 0.8384995649230143 Energy: 0.8355195132623688 Energy: 0.8338385181106928 Energy: 0.8345042369745215 Energy: 0.8337874370776442 Energy: 0.9932249196200114 Energy: 0.9796026566763159 Energy: 0.9774800278630323 Energy: 0.9250219601685202 Energy: 0.8331772066074866 Energy: 0.9243796618174567 Energy: 0.9494734075609359 Energy: 0.8363484057142327 Energy: 0.8355528566523277 Energy: 0.9507512666449625 Energy: 0.8377683028880458 Energy: 0.8355516456990194 Energy: 0.9980234372049763 Energy: 0.9837924419054731 Energy: 0.9860232760660972 Energy: 1.001152901654596 Energy: 0.8374596584150744 Energy: 0.9897515660526653 Energy: 0.9019745787371112 Energy: 0.8456251919261205 Energy: 0.8463467033668266 Energy: 0.9034166383677031 Energy: 0.8510860496794997 Energy: 0.8998760720261737 Energy: 0.8984710525391699 Energy: 1.0257807915094517 Energy: 1.032032113676583 Energy: 0.9040930835006868 Energy: 1.0199332466672009 Energy: 0.9958176703663049 Energy: 1.0256884268212758 Energy: 1.052687930258099 Energy: 0.9805371359903925 Energy: 1.0136494662558935 Energy: 1.049234964763189 Energy: 0.9524539240617214 Energy: 1.0098080469759096 Energy: 1.0376590463306954 Energy: 1.009653898333532 Energy: 1.0101089370229341 Energy: 1.0374966769229905 Energy: 1.0101463806990458 Energy: 1.0132295857179567 Energy: 1.048021286189079 Energy: 1.0470541565428884 Energy: 1.013959260473799 Energy: 0.9509255995835416 Energy: 1.049126822437742 Energy: 1.2146117148378592 Energy: 0.9575154728060328 Energy: 1.0481366589555021 Energy: 1.181465770990478 Energy: 1.0278237285337444 Energy: 1.0510020927375796 Energy: 1.134598783819148 Energy: 1.0365547550148875 Energy: 1.0369979175374622 Energy: 1.135100731900225 Energy: 1.0378054525897293 Energy: 1.0102479283612895 minimum gb energy = 0.8331772066074866 eV minimum distance = 2.22712299238257 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 1.3240598776090737 Energy: 1.3025878974973422 Energy: 1.3034561292690159 Energy: 1.1498587255173502 Energy: 1.2745370215324396 Energy: 1.0892759675223787 Energy: 1.1208590545616866 Energy: 1.148718665393753 Energy: 1.1482500927701509 Energy: 1.1572778521086315 Energy: 1.1525789745106079 Energy: 1.1039842619392033 Energy: 1.225404281684424 Energy: 1.1717796720345883 Energy: 1.0842321842585019 Energy: 1.1505044563044478 Energy: 1.1693445830642055 Energy: 1.1335367695758167 Energy: 1.1523170945249606 Energy: 1.085355530895349 Energy: 1.0826089002667845 Energy: 1.1511864646308565 Energy: 0.9607753511137094 Energy: 1.0825236789845887 Energy: 1.0232311302182675 Energy: 1.1483874559020553 Energy: 1.101540702617927 Energy: 1.0240875831274845 Energy: 1.1522246482744554 Energy: 1.1024766482910122 Energy: 1.165702192351405 Energy: 1.1202158220716718 Energy: 1.1166091955435755 Energy: 1.065121938121122 Energy: 1.1190752954506797 Energy: 1.0079377663338005 Energy: 0.9941954445484297 Energy: 1.1018696771052527 Energy: 1.1012133035128855 Energy: 0.9957527811049707 Energy: 1.1008359656798217 Energy: 0.9832798805170067 Energy: 0.9945812217718651 Energy: 0.9850153282648025 Energy: 0.9762585055381859 Energy: 0.9916916806108196 Energy: 1.010649358795818 Energy: 0.9922347130456483 Energy: 0.9961402113545399 Energy: 1.0013509378247558 Energy: 1.0017738459843324 Energy: 1.0013654489289354 Energy: 0.8792153808456246 Energy: 0.9991573359592439 Energy: 0.9776745356425994 Energy: 0.8761497191073973 Energy: 0.8752327493190604 Energy: 0.9806949901789495 Energy: 0.88135014617555 Energy: 0.8751682359351306 Energy: 0.9771443937352613 Energy: 0.8833512836196343 Energy: 1.0044419078424538 Energy: 0.8783127359031757 Energy: 0.8771152654749318 Energy: 1.0059422392331152 Energy: 0.8751757113547742 Energy: 0.8777104412210422 Energy: 0.876970558111378 Energy: 0.8748148703277197 Energy: 0.8817298421150018 Energy: 0.8765553791175116 Energy: 0.8756290746828725 Energy: 0.9992870247522118 Energy: 1.002114682231294 Energy: 0.8754562914061552 Energy: 0.9939195323859321 Energy: 0.8761973700411019 Energy: 1.0004806344923127 Energy: 1.0164984120356881 Energy: 1.023743204587082 Energy: 0.9981253605624204 Energy: 1.0184774232618963 Energy: 0.8959640132253252 Energy: 0.9331223674008727 Energy: 0.994017738944041 Energy: 0.9843609881423767 Energy: 0.9334705990724913 Energy: 0.9947572725348117 Energy: 0.9841613600051138 Energy: 1.127514190375052 Energy: 0.9973937802595181 Energy: 0.998810802592982 Energy: 1.1272373375664744 Energy: 0.8987234775755331 Energy: 0.9827204506654835 Energy: 1.2117308684682109 Energy: 1.0697723736276865 Energy: 0.9978399857470464 Energy: 1.2119689700342593 Energy: 1.0160376081098161 Energy: 1.059332553051545 Energy: 1.2151317808132176 Energy: 1.1495827695649825 Energy: 1.150491437203576 Energy: 1.160103111785063 Energy: 1.1493343192769265 Energy: 1.0484730352394467 Energy: 1.0375627332678095 Energy: 1.149347350593755 Energy: 1.2326149933988884 Energy: 0.9953386403168717 Energy: 1.149685821373147 Energy: 1.0538381200698028 Energy: 1.1104386812382145 Energy: 1.1486480118609692 Energy: 1.1478592110511145 Energy: 1.1113314883153047 Energy: 1.1529365575514918 Energy: 1.1199690623597842 Energy: 1.197549127590527 Energy: 1.0850343749937452 Energy: 1.08313589216843 Energy: 1.1503276510917575 Energy: 0.9599690797310305 Energy: 1.1333175681357586 Energy: 1.1485337092071768 Energy: 1.1750441620024072 Energy: 1.0832045822423504 Energy: 1.1493093373245848 Energy: 1.1737899162975967 Energy: 1.0838704590453072 Energy: 1.0272930612111253 Energy: 1.1491537081484062 Energy: 1.1012228362938772 Energy: 1.0271978757536449 Energy: 1.1535054224672363 Energy: 1.1014755823809492 Energy: 1.206359442385295 Energy: 1.1950175507297538 Energy: 1.1028969521052776 Energy: 1.0083456493390535 Energy: 1.2002573167364268 Energy: 1.004816262595791 Energy: 1.0270803177855716 Energy: 1.12528116999263 Energy: 1.1004860487147188 Energy: 1.026424986344136 Energy: 1.1028529838947934 Energy: 1.0500985482196548 Energy: 0.9925485184252199 Energy: 1.0112293227001155 Energy: 0.9761423791390096 Energy: 0.994436752988975 Energy: 1.011354298134291 Energy: 0.9928649449035662 Energy: 0.9960946388894364 Energy: 1.0025924335532355 Energy: 0.9923210172716119 Energy: 1.0000765403567398 Energy: 0.8777397312607647 Energy: 0.9903203013212983 Energy: 0.975957114956948 Energy: 0.8758084854038898 Energy: 0.8751953098757088 Energy: 0.9787888053640874 Energy: 0.8764323205455032 Energy: 0.8752103477875459 Energy: 1.0535802146212165 Energy: 0.8766375218078613 Energy: 0.9944575883579866 Energy: 0.877711551666404 Energy: 0.8755473440817452 Energy: 0.9993435966989914 Energy: 0.8755382053371297 Energy: 0.8779084038747436 Energy: 0.8771849401256095 Energy: 0.87513251957677 Energy: 0.9594647341313765 Energy: 0.8785749688331368 Energy: 0.876661729678908 Energy: 0.9980572724632415 Energy: 0.8786070575306992 Energy: 0.8764857341604774 Energy: 0.9931363093127098 Energy: 0.8769643183674407 Energy: 0.999798314861939 Energy: 0.9951010737178688 Energy: 0.9916615260364126 Energy: 0.9988742541309463 Energy: 1.0271900630546915 Energy: 0.9546088480654483 Energy: 0.9329091510523196 Energy: 0.9934421164377808 Energy: 0.9761359706397174 Energy: 0.93415032964152 Energy: 0.9991703467387281 Energy: 0.9838900800744317 Energy: 0.9772607315971701 Energy: 0.997687341152691 Energy: 0.9812907907833186 Energy: 0.9768583065970632 Energy: 0.8980045025072523 Energy: 0.9828609423483926 Energy: 1.2056699726536586 Energy: 0.9998807988128475 Energy: 1.0288520216876786 Energy: 1.2059737025785815 Energy: 0.9198201008742801 Energy: 1.0595818738256348 Energy: 1.1937588504067493 Energy: 0.9953427887418576 Energy: 0.995457137009945 Energy: 1.1501521342471093 Energy: 0.9955807773055938 Energy: 1.049538863262302 Energy: 1.037212918270406 Energy: 1.1481519607941821 Energy: 1.1847240418366043 Energy: 1.0824266323017588 Energy: 1.1472257178755878 Energy: 1.0525998152459104 minimum gb energy = 0.8748148703277197 eV minimum distance = 2.23582292100813 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 1.1732405802574817 Energy: 1.2553427486715623 Energy: 1.2552402162696439 Energy: 1.1696200882056276 Energy: 1.2355464679005006 Energy: 1.2566995334624231 Energy: 0.9849947677524379 Energy: 1.0721785946416658 Energy: 1.0731034316843733 Energy: 1.077302288810534 Energy: 1.0790890263167154 Energy: 1.0764537489604988 Energy: 1.1725293462095625 Energy: 1.045512983795373 Energy: 1.0561810619332268 Energy: 1.1745729654385728 Energy: 1.133031930117123 Energy: 1.0562381525401732 Energy: 1.081533386763094 Energy: 1.0397358168654698 Energy: 1.0397780175398876 Energy: 1.0818305868097269 Energy: 1.0825550664479247 Energy: 1.0724726661969217 Energy: 0.947428810672883 Energy: 1.0732973193119248 Energy: 1.0736582459279689 Energy: 0.947602105967832 Energy: 1.0765901400617284 Energy: 1.0500963907654017 Energy: 1.0660272299366795 Energy: 1.1069516627930285 Energy: 1.1030059504692193 Energy: 1.0630398731363828 Energy: 1.1108488091663726 Energy: 1.033980975103512 Energy: 0.943270482178026 Energy: 1.0552154984113056 Energy: 1.0540628506692193 Energy: 0.9431254910762716 Energy: 1.0553820946667212 Energy: 0.9464938459941675 Energy: 0.9476754649077062 Energy: 0.9609031880050201 Energy: 0.9469187451559604 Energy: 0.9504387038336295 Energy: 1.039689299353581 Energy: 0.9457241952482625 Energy: 0.9707287506162212 Energy: 1.0300693828303342 Energy: 1.0318184513743365 Energy: 0.9737492825376431 Energy: 0.9983269376419642 Energy: 1.0309447621962318 Energy: 0.9483705100370327 Energy: 0.9433352007027969 Energy: 0.9437490192434621 Energy: 0.9483075486688094 Energy: 0.9495785886198965 Energy: 0.9528964930773075 Energy: 1.0604536195153014 Energy: 0.9588607336462861 Energy: 0.9491825453008602 Energy: 1.0637927013096835 Energy: 0.8873238351637881 Energy: 1.0527662078372806 Energy: 1.1741524964733525 Energy: 0.9879283866967471 Energy: 0.9927750223512967 Energy: 1.1763769958512789 Energy: 0.9872119897937832 Energy: 0.994293576714332 Energy: 1.153667476273518 Energy: 1.0769653837940645 Energy: 1.073269199369225 Energy: 1.0835139196218417 Energy: 1.0771989037168879 Energy: 1.0758286678702964 Energy: 0.9993621228991845 Energy: 1.0733774024828808 Energy: 1.0961045098533309 Energy: 0.9972972923924766 Energy: 1.0733669575515616 Energy: 1.0996899105155253 minimum gb energy = 0.8873238351637881 eV minimum distance = 2.23726345553071 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 1.3948635888936018 Energy: 1.3720053397836396 Energy: 1.2825930389252662 Energy: 1.2376271030673096 Energy: 1.165973862772139 Energy: 1.228267269041221 Energy: 1.180526967226883 Energy: 1.020976510872204 Energy: 1.020405078844764 Energy: 1.05285020988899 Energy: 1.0217075219862775 Energy: 1.017652851750348 Energy: 1.2155409236090362 Energy: 1.1097124477568245 Energy: 1.0470171744148062 Energy: 1.2114209057810323 Energy: 1.1099371605564194 Energy: 1.0558439168166847 Energy: 1.0565042738011587 Energy: 1.0353398771015574 Energy: 1.1085900851990276 Energy: 1.0602941930784824 Energy: 1.131311413218522 Energy: 1.0544418722770827 Energy: 1.0538866328796423 Energy: 1.0218093737722127 Energy: 1.0206905684725873 Energy: 1.0554964731172738 Energy: 1.0241085081278947 Energy: 1.0219691940534086 Energy: 1.0687193585910717 Energy: 1.0255084376709118 Energy: 1.0319237455022696 Energy: 1.039063091442863 Energy: 1.0235348593907514 Energy: 1.0384281221677683 Energy: 1.0242456047162407 Energy: 1.024281140910432 Energy: 1.0248198961487518 Energy: 1.0236582625505959 Energy: 1.0111296106171124 Energy: 1.0277173145079794 Energy: 1.029118437372726 Energy: 1.0543981637613988 Energy: 1.0853516480238965 Energy: 1.0291750768698937 Energy: 1.0525876515378754 Energy: 1.021055599066087 Energy: 1.0461337385011482 Energy: 1.052362330033294 Energy: 1.0579413575855394 Energy: 1.0913936243600149 Energy: 1.0527031916316427 Energy: 1.0523432161305786 Energy: 1.0458659228643685 Energy: 1.1309721450939707 Energy: 1.0574789975479206 Energy: 1.046198516049249 Energy: 1.2109233364931173 Energy: 1.0525137590208367 Energy: 1.0761354337505098 Energy: 1.042813085861166 Energy: 1.063822438213843 Energy: 1.0757836094430877 Energy: 1.0358501543778575 Energy: 1.0633925106447955 Energy: 1.1694833813314764 Energy: 1.1301458624897798 Energy: 1.1637096107845442 Energy: 1.1681690826827011 Energy: 1.0800776546933029 Energy: 1.1342959716531655 Energy: 1.0621708311337368 Energy: 1.0520232396771312 Energy: 1.0582462966281427 Energy: 1.0620890170804964 Energy: 1.0532782879257394 Energy: 1.0610825195703737 Energy: 1.0609822261071815 Energy: 1.049349782213295 Energy: 1.1926021954516468 Energy: 1.0838731565710993 Energy: 1.0488539766214977 Energy: 1.1140970674590682 Energy: 1.0079581807155447 Energy: 1.0289158402930993 Energy: 1.0294580094339973 Energy: 1.007351486256324 Energy: 1.0295851428615772 Energy: 1.030246359340651 Energy: 1.0082304502846384 Energy: 1.030777924479207 Energy: 1.004757416142654 Energy: 1.0041775498217613 Energy: 1.0285960771835132 Energy: 1.0041253659325398 Energy: 1.0031756132992966 Energy: 1.0618818807523422 Energy: 1.0604469309397346 Energy: 1.0033696137228871 Energy: 1.0612506713184606 Energy: 1.0579986981998515 Energy: 1.0355256104142176 Energy: 1.0916760140739954 Energy: 1.0938811054620936 Energy: 1.0409173701246988 Energy: 1.0920173349874536 Energy: 1.0425062655897508 Energy: 1.0449365801458792 Energy: 1.0454803185171273 Energy: 1.0451452387904736 Energy: 1.0451826867388394 Energy: 1.0411158072976348 Energy: 1.0482223324316833 Energy: 1.0805042827190192 Energy: 1.1011681364974597 Energy: 1.107768620286683 Energy: 1.0810213592304367 Energy: 1.1446099750845906 Energy: 1.046359267307836 Energy: 1.09477083207407 Energy: 1.1067672382780989 Energy: 1.048125294160795 Energy: 1.096716308207716 Energy: 1.0374597269397743 Energy: 1.0452344010760202 Energy: 1.08341788570945 Energy: 1.0806944712605768 Energy: 1.0450033374874819 Energy: 1.0513228103144114 Energy: 1.0807515737985856 Energy: 1.0455960689964232 Energy: 1.1159606135111788 Energy: 1.0856694441149481 Energy: 1.0485939905473782 Energy: 1.1442196387710781 Energy: 1.0849817314388246 Energy: 1.0931007653799558 Energy: 1.1337494134505286 Energy: 1.045214943578316 Energy: 1.0817421380704977 Energy: 1.0444188749465262 Energy: 1.0453555408608848 Energy: 1.046243249860027 Energy: 1.0883430460960535 Energy: 1.0462463728881302 Energy: 1.0773969778403827 Energy: 1.0920646625830976 Energy: 1.0881370364448677 Energy: 1.091413737803109 Energy: 1.0763715820686508 Energy: 1.0094200742913677 Energy: 1.0086602577004313 Energy: 1.0566341925019473 Energy: 1.0036511834961417 Energy: 1.0606616018874757 Energy: 1.0284114284793546 Energy: 1.0043337737479046 Energy: 1.0051599018805355 Energy: 1.0323509472547825 Energy: 1.0034325365638619 Energy: 1.0043009404986676 Energy: 1.0570963326132587 Energy: 1.0045377902581565 Energy: 1.0297989798489091 Energy: 1.0565572402733177 Energy: 1.0078791900759576 Energy: 1.0435907970697276 Energy: 1.2074077370851928 Energy: 1.0689272228998632 Energy: 1.0506020143505495 Energy: 1.0502799085726608 Energy: 1.027449914697543 Energy: 1.1293619958444057 Energy: 1.2396740354635776 Energy: 1.020684206770655 Energy: 1.016988055956381 Energy: 1.0531689267811573 Energy: 1.0217558727936822 Energy: 1.05450967203217 Energy: 1.1603417067457935 Energy: 1.1081973358476074 Energy: 1.1762408843042458 Energy: 1.1537143101717888 Energy: 1.1080848164450925 Energy: 1.1407547183961335 minimum gb energy = 1.0031756132992966 eV minimum distance = 2.17162221711405 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 1.3765466999655918 Energy: 1.1016754653667993 Energy: 1.1025517439243213 Energy: 1.375115884435545 Energy: 0.9537364993117972 Energy: 1.1026182550330583 Energy: 0.9668318578939761 Energy: 0.9537723182323579 Energy: 0.9510238768114438 Energy: 0.9530638494005744 Energy: 0.9527875688338864 Energy: 0.995832659788165 Energy: 1.0660734288543265 Energy: 0.9589659512249326 Energy: 1.0376478066225605 Energy: 1.0658510795754104 Energy: 1.0708277136268356 Energy: 0.9586006070755323 Energy: 0.9496673262380999 Energy: 0.9507600595365948 Energy: 0.9525605138288061 Energy: 0.950968551798158 Energy: 1.065467861134444 Energy: 0.9503720666017922 Energy: 0.9733571320751259 Energy: 0.9512131682113606 Energy: 0.9494225773495288 Energy: 0.9727172776584228 Energy: 1.0607175505828423 Energy: 0.9490011393116878 Energy: 0.9745509657138035 Energy: 1.0672304837359299 Energy: 1.0772813724799306 Energy: 0.9740354034088564 Energy: 1.0664823693488037 Energy: 1.0784673117168138 Energy: 1.0591471780072028 Energy: 0.9035251620361412 Energy: 0.9047706996726507 Energy: 1.061708846241601 Energy: 0.9050473152122996 Energy: 1.0610699349109092 Energy: 1.086939578277388 Energy: 0.9505118983378237 Energy: 0.9504605832711154 Energy: 1.0867475072954467 Energy: 0.9747939332418026 Energy: 0.9730797073710653 Energy: 0.9668411477563348 Energy: 0.9526427713629081 Energy: 0.9030215134808871 Energy: 0.9669474061648379 Energy: 0.9529260523948425 Energy: 0.9059338365171348 Energy: 0.9682947534960924 Energy: 1.0606090096469798 Energy: 0.9025438069830568 Energy: 0.9680836927660561 Energy: 1.0597830722932635 Energy: 0.9016528547869566 Energy: 1.0892447230675617 Energy: 0.9491656695880423 Energy: 0.952762935437456 Energy: 1.0880529436271769 Energy: 0.974793493222312 Energy: 0.9730933857968944 Energy: 0.9536100971213889 Energy: 1.0376481125312167 Energy: 1.0375526880085493 Energy: 0.954288385183209 Energy: 1.0891890141448743 Energy: 0.9557885663916776 Energy: 0.9537560363180801 Energy: 0.953854475442392 Energy: 0.9902348357733394 Energy: 0.9540900871636069 Energy: 0.9765365593316934 Energy: 1.0003882180756434 Energy: 0.9741594060185761 Energy: 1.0607060091111646 Energy: 1.0607425565742241 Energy: 0.9728785583706655 Energy: 1.0596667912961104 Energy: 1.0596993967188015 Energy: 0.9732455474879843 Energy: 0.9061037794994862 Energy: 0.950656588981225 Energy: 0.9747344562058278 Energy: 0.9059167133206624 Energy: 0.9618593285982415 Energy: 1.0656893728622214 Energy: 0.9040582972776512 Energy: 0.9057871961563545 Energy: 1.0599278463600657 Energy: 0.9037021696688253 Energy: 0.9555501290529677 Energy: 0.9667198096960722 Energy: 0.9528818767185689 Energy: 0.9747174916365975 Energy: 0.966581265659946 Energy: 0.975951064577266 Energy: 0.9991558618708121 minimum gb energy = 0.9016528547869566 eV minimum distance = 2.2595934733055 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 1.4533533172409956 Energy: 1.1921044728815586 Energy: 1.2379295509638408 Energy: 1.2477186401521347 Energy: 1.551822898161495 Energy: 1.2386479656949523 Energy: 1.0875613855494675 Energy: 1.0580562040030237 Energy: 1.0637355919231612 Energy: 1.1247477398676953 Energy: 1.0945901381811658 Energy: 1.0689634943157846 Energy: 1.2243828939536794 Energy: 1.1375227719285845 Energy: 1.0998763870546833 Energy: 1.226420143934337 Energy: 1.1201387335187643 Energy: 1.1159894272126887 Energy: 1.042176954379031 Energy: 1.06008553985406 Energy: 1.0726808380977164 Energy: 1.0439482126575352 Energy: 1.058752177988692 Energy: 1.0688514535381917 Energy: 1.0344857007924542 Energy: 1.0678761265254342 Energy: 1.0748689208381423 Energy: 1.0375489188911855 Energy: 1.0706028475092597 Energy: 1.0481171502935807 Energy: 1.0256840689130375 Energy: 1.051373813721031 Energy: 1.050702942097234 Energy: 1.0280266446267212 Energy: 1.026306275664883 Energy: 1.0504816577765197 Energy: 1.0604628048196723 Energy: 1.1563720982362915 Energy: 1.0121592183945765 Energy: 1.063325225888537 Energy: 1.2005816626125705 Energy: 1.0120414521194467 Energy: 1.0663400326841732 Energy: 1.0442987957618592 Energy: 1.0508274974612073 Energy: 1.0664268074643586 Energy: 1.0524938727728659 Energy: 1.052458516950872 Energy: 1.183733164084271 Energy: 1.1094684619924413 Energy: 1.0982898276753483 Energy: 1.1235274765577206 Energy: 1.134174127177334 Energy: 1.1055965225330913 Energy: 1.183342979509179 Energy: 1.0994979990704743 Energy: 1.0974730248294504 Energy: 1.1230545027836896 Energy: 1.1016271429680398 Energy: 1.0972078432411647 Energy: 1.0683976356271963 Energy: 1.0300261321772253 Energy: 1.081017844415911 Energy: 1.0652673724657526 Energy: 1.033485269328891 Energy: 1.073100772106213 Energy: 1.0679015138531902 Energy: 1.0711762503330982 Energy: 1.0856846859359774 Energy: 1.068033346806385 Energy: 1.055623290472713 Energy: 1.0840436429576057 Energy: 1.2068796004509328 Energy: 1.1305413846689591 Energy: 1.1356910875858817 Energy: 1.2183282835804854 Energy: 1.1227592771192059 Energy: 1.1661442500325088 Energy: 1.2044712526555184 Energy: 1.1230108542893167 Energy: 1.1286477408683457 Energy: 1.206378586650013 Energy: 1.131670302216072 Energy: 1.119136473870508 Energy: 1.0804890632005928 Energy: 1.1102915759076195 Energy: 1.1043316334810218 Energy: 1.0825320029265464 Energy: 1.1124848507663416 Energy: 1.0714738083568156 Energy: 1.113601092274135 Energy: 1.2047858099494586 Energy: 1.034117476352183 Energy: 1.114321001478713 Energy: 1.1093526120936723 Energy: 1.0381441393147686 Energy: 1.0689536523547254 Energy: 1.1170784968669154 Energy: 1.1458403798406238 Energy: 1.0691125585253543 Energy: 1.1438973833813855 Energy: 1.0701183075412748 Energy: 1.1527936312841944 Energy: 1.141612213498154 Energy: 1.149257505589308 Energy: 1.0487535636638903 Energy: 1.1333529312741535 Energy: 1.1561860510567163 Energy: 1.1282641907470385 Energy: 1.0636318223682917 Energy: 1.0474015581512148 Energy: 1.1289220658078283 Energy: 1.0565021353148902 Energy: 1.0662910260338971 Energy: 1.1305316599509636 Energy: 1.0370758153561628 Energy: 1.0746431111063899 Energy: 1.1307062846208953 Energy: 1.0425039481065141 Energy: 1.0685830332652015 Energy: 1.1404055824846435 Energy: 1.1149480833906127 Energy: 1.1202367763765797 Energy: 1.0470888088205272 Energy: 1.0767806215003282 Energy: 1.0660858542870408 minimum gb energy = 1.0120414521194467 eV minimum distance = 2.21102233232304 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 1.2076730643546754 Energy: 1.1543200876015907 Energy: 1.1521400238588788 Energy: 1.2158663990103016 Energy: 1.421299867880117 Energy: 1.1516281437365594 Energy: 1.0977378592088742 Energy: 1.194547796177604 Energy: 1.0652665310930483 Energy: 1.139884009407891 Energy: 1.2066395020804774 Energy: 1.0680905012490343 Energy: 1.09647989570209 Energy: 1.0874025394439113 Energy: 1.0858649881851574 Energy: 1.0968349816086784 Energy: 0.9875422725890836 Energy: 1.0124163048595793 Energy: 1.0515313242225486 Energy: 1.0392255617820982 Energy: 1.037879718804568 Energy: 1.0115633339918748 Energy: 1.0222639287775968 Energy: 1.0366182177221017 Energy: 0.9863694349780939 Energy: 1.0441486724935263 Energy: 1.0282596112970863 Energy: 0.9875163889936038 Energy: 1.0454931991815333 Energy: 1.0254987390953891 Energy: 1.016878026574897 Energy: 1.024880661515103 Energy: 1.024685772747976 Energy: 1.0169390963809393 Energy: 1.0276953214713969 Energy: 1.0237209030854495 Energy: 1.0769549843682018 Energy: 1.1019666859994133 Energy: 1.0766443520575055 Energy: 1.0790339458498222 Energy: 1.1229898060842047 Energy: 1.083610117013558 Energy: 1.1070567822677642 Energy: 1.0835250723182501 Energy: 1.069474504354177 Energy: 1.1085745397005526 Energy: 1.081306204784352 Energy: 1.0576858032396759 Energy: 1.2420806032338256 Energy: 1.0939317774424615 Energy: 1.0860423192412136 Energy: 0.9897575219458471 Energy: 1.0965855711588055 Energy: 1.023769263848638 Energy: 1.2378271114219617 Energy: 1.026628525450622 Energy: 1.025866183932948 Energy: 0.9867357936526521 Energy: 1.0251210632899195 Energy: 1.0408645668886092 Energy: 1.0437999344845188 Energy: 0.9927126543898852 Energy: 1.0192615146887942 Energy: 1.0437780917252988 Energy: 0.9794292801639488 Energy: 1.0685214135949133 Energy: 1.063894608345618 Energy: 1.000882077770481 Energy: 1.0390975699956249 Energy: 1.045013568719226 Energy: 1.0014570077540184 Energy: 1.0372285587417194 Energy: 1.1090058884479868 Energy: 1.0763583653346447 Energy: 1.0759306751497182 Energy: 1.1109393643022203 Energy: 1.0766069713522677 Energy: 1.0715267446611763 Energy: 1.1209068357331664 Energy: 1.0608496338806102 Energy: 1.0594212068296482 Energy: 1.1226847586780193 Energy: 1.10275565549061 Energy: 1.0590700500480528 Energy: 1.112913169764976 Energy: 1.0349816165593035 Energy: 1.034741110414912 Energy: 1.1129303900860923 Energy: 1.000524974339112 Energy: 1.035537471126209 Energy: 1.0624336199359852 Energy: 1.0275079650620058 Energy: 1.0267321764526545 Energy: 1.0627139405990733 Energy: 1.0296840840768058 Energy: 1.0131500209995052 Energy: 0.995330561663136 Energy: 1.0765839238620092 Energy: 1.086107414717663 Energy: 0.9905345157385546 Energy: 1.0818935624753057 Energy: 1.0866079714566286 Energy: 1.0348066743012316 Energy: 1.031082567281856 Energy: 1.0263372191927433 Energy: 0.9875553398904076 Energy: 1.0439840855993998 Energy: 1.0253100990007398 Energy: 1.089073929256157 Energy: 1.1213254409200204 Energy: 1.0483511185736998 Energy: 1.0905006247118378 Energy: 1.1260961210657887 Energy: 1.0507065619759264 Energy: 1.0975783907137704 Energy: 1.1236116450902043 Energy: 1.0492261987257672 Energy: 1.0989319586186248 Energy: 1.12632049144876 Energy: 1.0501905426002591 Energy: 1.2299464264854199 Energy: 1.026163172237438 Energy: 1.0278717823848191 Energy: 0.9860037942560294 Energy: 1.0445648495340016 Energy: 1.026244489630042 Energy: 0.9947806157275669 Energy: 1.1805267873797698 Energy: 1.0459896608246182 Energy: 0.9827229615085027 Energy: 1.1796579899584023 Energy: 1.0864795658754285 Energy: 1.0413437846031255 Energy: 1.0326579603788475 Energy: 1.0175415755086483 Energy: 1.0633384076687273 Energy: 1.036308258903111 Energy: 1.0694340563042812 Energy: 1.0400674702385555 Energy: 0.9977736881488509 Energy: 1.0281574297294498 Energy: 1.0416502983731224 Energy: 0.9995571245443946 Energy: 1.0296271340202954 Energy: 1.093944384664312 Energy: 1.197465606772471 Energy: 1.1970167389477044 Energy: 1.0944962200389907 Energy: 1.1932960306844065 Energy: 1.0609023304229879 minimum gb energy = 0.9794292801639488 eV minimum distance = 2.17312299675386 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 1.4176965536951043 Energy: 1.2748753440979694 Energy: 1.172993609243073 Energy: 1.2796754337001295 Energy: 1.007302210960449 Energy: 1.1700526693235926 Energy: 1.0609929793730444 Energy: 1.0113036990757147 Energy: 1.0282414430844067 Energy: 1.0762861304103086 Energy: 1.0538827418162746 Energy: 1.0825688222181868 Energy: 1.0945961777507547 Energy: 1.0072955577920202 Energy: 1.0517895735253868 Energy: 1.0697172211532737 Energy: 1.006966965852841 Energy: 1.0607356490629993 Energy: 1.0854741754495623 Energy: 1.0280700816062125 Energy: 1.0044099549420762 Energy: 1.0838598501798176 Energy: 1.009028362231702 Energy: 1.053405637763515 Energy: 1.0356015873236855 Energy: 1.0560096989109327 Energy: 1.0564160154373703 Energy: 1.0409899957876527 Energy: 1.0711101357765183 Energy: 1.0561085739817972 Energy: 1.0548646797495818 Energy: 1.1028346547384067 Energy: 1.0532410663212157 Energy: 1.0554323269426718 Energy: 1.0686068797129982 Energy: 1.0121074185129126 Energy: 1.12532091952777 Energy: 1.0576156205807106 Energy: 0.9409246089755045 Energy: 1.055996788088999 Energy: 1.1151080140478569 Energy: 1.0995566987090701 Energy: 1.0088205470371279 Energy: 1.0814404747587958 Energy: 1.1544765493167763 Energy: 1.0092318368811952 Energy: 1.0879356254825476 Energy: 1.1490809241649906 Energy: 1.0110417264057825 Energy: 1.0558297769508047 Energy: 1.0592187374683337 Energy: 1.0072161556358143 Energy: 1.0715476159859576 Energy: 1.0522270070746744 Energy: 1.004601592739807 Energy: 1.0612687619612453 Energy: 1.0617657490878196 Energy: 1.0054785323872881 Energy: 1.0578850426734778 Energy: 1.0641474792110572 Energy: 1.1220266218709376 Energy: 1.243533584728166 Energy: 1.2005446735763248 Energy: 1.1221072308080824 Energy: 0.9599160644404389 Energy: 1.202834626843067 Energy: 1.0591934519114912 Energy: 0.9570204114188313 Energy: 0.958468184803909 Energy: 1.0598702031953338 Energy: 0.9580840319167114 Energy: 0.9565242137004722 Energy: 1.073365232719141 Energy: 1.1371243736916656 Energy: 1.0552042170688603 Energy: 0.9406628086541019 Energy: 1.0931977258565992 Energy: 1.03212139610502 Energy: 1.1586725071609822 Energy: 1.070608728277456 Energy: 1.0774678861763434 Energy: 0.9465912748867324 Energy: 0.957551262014546 Energy: 1.0800670744441636 Energy: 1.058789471381464 Energy: 0.9576692804223506 Energy: 0.957983443974864 Energy: 1.0595783624837058 Energy: 0.9572656096040058 Energy: 1.0245619112920896 Energy: 1.0592057082727846 Energy: 0.9572891224216098 Energy: 0.9571687668715061 Energy: 1.061322049160827 Energy: 0.9572940792790945 Energy: 1.0245763073898757 Energy: 1.0385928358639203 Energy: 1.0433404665685688 Energy: 1.018809796909253 Energy: 0.9527354123966186 Energy: 0.9621213440588381 Energy: 1.0180003675412217 Energy: 1.1137494049056578 Energy: 1.025757614736095 Energy: 1.0254993790244518 Energy: 1.0438941941793582 Energy: 1.1067404701360166 Energy: 1.0248312209286405 Energy: 1.1065844590039458 Energy: 0.9463361112868987 Energy: 0.9487310768248123 Energy: 1.1080028084962519 Energy: 0.9468660881025645 Energy: 1.0256244348387757 Energy: 1.061047791190024 Energy: 0.946509141483377 Energy: 0.9480718544938977 Energy: 1.0622800782431632 Energy: 0.946829530092391 Energy: 1.025722100980576 Energy: 0.9564990620604613 Energy: 1.0261099486903953 Energy: 1.0250550228647246 Energy: 0.9568232432044295 Energy: 1.064233201114921 Energy: 1.0238110938188973 Energy: 0.9570195129434658 Energy: 1.0328623124953156 Energy: 1.0242815666407972 Energy: 0.9573673451566433 Energy: 1.0648769756535308 Energy: 0.9569114269500794 Energy: 1.0830634981993634 Energy: 0.9333230830719278 Energy: 1.008114379248691 Energy: 1.0837112254707872 Energy: 0.9887595131719495 Energy: 0.9494698232978246 Energy: 1.1532951313815167 Energy: 0.933505271428478 Energy: 1.0229701227017944 Energy: 1.153957675134699 Energy: 0.9335016245151194 Energy: 1.0337655222302953 Energy: 1.0855241023213704 Energy: 1.0331427818320837 Energy: 1.0320087998615315 Energy: 0.9580588013509704 Energy: 1.1229467749163218 Energy: 0.9562293909426037 Energy: 1.04520141193922 Energy: 1.0334053913625543 Energy: 1.0337229485478474 Energy: 1.0001844589814488 Energy: 1.0444717230748268 Energy: 1.0243765998840018 Energy: 1.0927102900447005 Energy: 1.0040308419666037 Energy: 1.05596875877501 Energy: 1.0703851551935726 Energy: 1.0065025722841854 Energy: 1.053882076329609 Energy: 1.0929196267282204 Energy: 1.0120824608502108 Energy: 1.003436755636704 Energy: 1.0701641567997011 Energy: 1.0114542475337616 Energy: 1.0528273571430065 Energy: 1.1087680287663797 Energy: 1.0097821485177934 Energy: 1.0105586147819219 Energy: 0.929634965195751 Energy: 1.0112806422701883 Energy: 0.9333272801122483 minimum gb energy = 0.929634965195751 eV minimum distance = 2.20496364843149 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 1.3593946768135998 Energy: 1.2192424064571212 Energy: 1.219437648815209 Energy: 1.2636352296082258 Energy: 1.0482763924731353 Energy: 1.2638124112869276 Energy: 1.2214238582327996 Energy: 1.0021447635921334 Energy: 0.9937297809792741 Energy: 1.013088712512586 Energy: 1.0494872544621814 Energy: 1.0282607380278175 Energy: 1.0902228104105691 Energy: 0.9499435028396161 Energy: 0.9514762534450169 Energy: 1.0495352084894751 Energy: 0.9537325871998614 Energy: 0.9586398884401038 Energy: 1.0532537614437674 Energy: 0.9944445548598485 Energy: 0.98710526827178 Energy: 1.0564274669237985 Energy: 0.952837845169284 Energy: 0.9515626500433929 Energy: 0.9926297335015013 Energy: 1.0644111292433602 Energy: 1.0324738312433048 Energy: 0.9936584505084173 Energy: 1.055444483768413 Energy: 1.0471482446331044 Energy: 1.0284182760498066 Energy: 1.054440242817563 Energy: 1.054027683211266 Energy: 1.0279711511918346 Energy: 0.9518593866126474 Energy: 0.988242932508453 Energy: 1.0401865026865846 Energy: 1.014094713408052 Energy: 1.012994057009718 Energy: 1.040359747996291 Energy: 1.019362602777563 Energy: 1.0131775172848592 Energy: 0.9778423200022021 Energy: 0.994907854099021 Energy: 0.9915218352567692 Energy: 0.9776710655113334 Energy: 0.9370906411532764 Energy: 0.9523680097740472 Energy: 0.9552739485881426 Energy: 0.9526821624659032 Energy: 0.951048742835957 Energy: 0.9575774490372774 Energy: 1.0626528663332784 Energy: 0.951371369246189 Energy: 0.9578752471275993 Energy: 1.0538154734348677 Energy: 0.9504956561765775 Energy: 0.9527792444172084 Energy: 1.054980300933063 Energy: 0.9512256225637243 Energy: 0.9516791298848171 Energy: 0.8916665433932742 Energy: 1.0222968244658097 Energy: 1.1596463731014333 Energy: 0.8921750397102007 Energy: 0.8914424698336945 Energy: 1.0965717295192632 Energy: 0.9536140264244581 Energy: 0.9519435071352897 Energy: 1.0977146753614972 Energy: 0.9523505490525379 Energy: 0.9574105437076146 Energy: 1.0084561132971226 Energy: 1.0319008033332853 Energy: 0.953063154483597 Energy: 0.9383770476792432 Energy: 1.0998172548970848 Energy: 0.951660014251317 Energy: 1.0132024862048266 Energy: 1.025018577797919 Energy: 1.0268974843413632 Energy: 1.0134126530693044 Energy: 1.0257755246172857 Energy: 0.9541194874335697 Energy: 1.0898931766150006 Energy: 0.9513706112653894 Energy: 0.9511985170706619 Energy: 1.0500980218622906 Energy: 0.9508229422757526 Energy: 1.0271953237588742 Energy: 1.0913649133461238 Energy: 0.9887113572489767 Energy: 0.9869212166524881 Energy: 1.0630767806551358 Energy: 0.9574937704923635 Energy: 0.9875173859431234 Energy: 1.0273214206937336 Energy: 0.9549689004649698 Energy: 0.892432639554046 Energy: 0.8838592570694288 Energy: 0.9543118152807835 Energy: 0.8848652958418689 Energy: 1.2202063898481261 Energy: 0.954312419158019 Energy: 0.9935454619184315 Energy: 1.1323637462117937 Energy: 1.0258168072491396 Energy: 1.0397419790790834 Energy: 1.0896868658547534 Energy: 0.955034995022814 Energy: 0.9512455746931552 Energy: 1.0495870560218599 Energy: 0.9555793208180021 Energy: 1.025982059387769 Energy: 1.0494873299547431 Energy: 0.9512564819890115 Energy: 0.9514666138264408 Energy: 1.0325272069491878 Energy: 0.9556188753564953 Energy: 1.0251241169661038 Energy: 0.9981550807084858 Energy: 0.9514958776817287 Energy: 1.0323730690664181 Energy: 0.9917192753711933 Energy: 1.0283808183425096 Energy: 1.0457151697607885 Energy: 1.022794426824554 Energy: 1.0275920531974554 Energy: 1.0246405906284692 Energy: 1.023734690719985 Energy: 1.0661241141264666 Energy: 0.9527917156676046 Energy: 1.1794756121425836 Energy: 1.0198866077417161 Energy: 1.020441888296916 Energy: 1.178730407979492 Energy: 0.9394937119648723 Energy: 1.0114449402613488 Energy: 1.0542132763531151 Energy: 1.0413513511994343 Energy: 1.0116623872905715 Energy: 1.0532761617305892 Energy: 0.9379015267450671 Energy: 1.1547008300973973 Energy: 0.9528530628227351 Energy: 1.0293571370858288 Energy: 0.9515593668192105 Energy: 0.9533716827586252 Energy: 1.0651165118171306 Energy: 0.951108107522089 Energy: 0.9502460852784663 Energy: 1.0283642283693974 Energy: 0.9514253788184572 Energy: 0.9522077688336269 Energy: 1.035059371894359 Energy: 0.9518675444209512 Energy: 1.0335680902406577 Energy: 0.8920965072472092 Energy: 0.8915278283140468 Energy: 1.0343125832061593 Energy: 0.8924459376289711 Energy: 0.9963602912509296 Energy: 1.0891864864436083 Energy: 0.8924586086945265 Energy: 0.8920966575467056 Energy: 1.090100284987976 Energy: 0.8925152462794402 Energy: 1.0262324212784526 Energy: 1.008247671902406 Energy: 1.0348366123794348 Energy: 1.0329280854377405 Energy: 0.9356735286187701 Energy: 1.100334407925502 Energy: 0.9507404528830924 Energy: 1.0167424070762503 Energy: 1.0264831132461567 Energy: 1.027775146748761 Energy: 0.9392003759829132 Energy: 1.0278112256016314 Energy: 0.9517319777564643 Energy: 1.0890747527290363 Energy: 0.9507974143384181 Energy: 0.9527105617653049 Energy: 1.050786670205664 Energy: 0.951069994728495 Energy: 0.9552104607036448 Energy: 1.090147645045125 Energy: 0.9540871732296051 Energy: 0.989245099788917 Energy: 1.0605714036848406 Energy: 0.9548712035974443 Energy: 0.9529742826272307 Energy: 1.02765718106699 Energy: 0.953474964046663 Energy: 0.8944540897883495 Energy: 0.8837167572515754 Energy: 0.9534135219006548 Energy: 1.0451480523510543 minimum gb energy = 0.8837167572515754 eV minimum distance = 2.20261675424149 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.021534747788313626 Energy: 0.022353275896537225 Energy: 0.021867305147261366 Energy: 0.021671953171085338 Energy: 0.967047473702274 Energy: 0.02178178918497608 Energy: 0.022412826034655352 Energy: 0.22253552352639466 Energy: 0.22353087623851844 Energy: 0.22271026960674314 Energy: 0.22221815253253793 Energy: 0.22260757443153903 Energy: 1.2700642962859914 Energy: 0.9664813720964347 Energy: 0.9665256647311885 Energy: 0.9653566462014054 Energy: 0.9669059405011565 Energy: 0.968087862434612 Energy: 0.5295433903397664 Energy: 0.22253552352785344 Energy: 0.22353087623516876 Energy: 0.22271026960577067 Energy: 0.22221815253064695 Energy: 0.22260757443013432 minimum gb energy = 0.021534747788313626 eV minimum distance = 2.41039863531641 Angstroms sigma value = 1