Model name: model_name=EAM_Dynamo_GolaPastewka_2018_CuAu__MO_426403318662_000 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Cu Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.613580609858036 cohesive_energy=3.5410050524536607 mass=63.546 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=60.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.4505546482414097e-19, 2.22258749198382e-19, 2.80089314802612e-19, 3.2509766080494e-19, 3.6120271125212995e-19, 3.9095993787541193e-19, 4.1588499977054995e-19, 4.36895944148826e-19, 4.54917226928058e-19, 4.708540779064559e-19, 4.852704632591879e-19, 4.98392289891648e-19, 5.102788383392939e-19, 5.20950936898368e-19, 5.30429413865112e-19, 5.3873990406566995e-19, 5.459128488560879e-19, 5.519706787092419e-19, 5.5694063062791e-19, 5.60864361204576e-19, 5.6378993573826e-19, 5.65786247824224e-19, 5.669253954109979e-19, 5.67287487330282e-19, 5.66907771468024e-19, 5.65693321579452e-19, 5.635031461207739e-19, 5.601626078388839e-19, 5.55453810711558e-19, 5.49096373827846e-19, 5.40736216151634e-19, 5.299119108123299e-19, 5.16035458985256e-19, 4.98376268125308e-19, 4.760675606734919e-19, 4.480807392307799e-19, 4.13158095139482e-19, 3.69625353817068e-19, 3.1512731561155795e-19] 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: 4.99999999981074e-06 eV ======================================== theta = 0.0 ======================================== Energy: 0.01673841559053169 Energy: 0.0174220741235035 Energy: 0.33022585041301844 Energy: 0.9600878172350402 Energy: 0.7949181720970865 Energy: 0.28658135248081695 Energy: 0.017205811322330428 Energy: 0.017146620709665505 Energy: 0.6376792629819565 Energy: 0.23422678129612645 Energy: 0.3316676397813043 Energy: 0.08406524472658183 Energy: 0.017950867319336695 Energy: 0.08354330411193636 Energy: 0.01721900309792828 Energy: 0.6392730002493073 Energy: 0.2050510624264931 Energy: 0.32979078325108685 Energy: 0.6445331430467754 Energy: 0.08227996504097357 Energy: 0.08356183442120804 Energy: 0.019182021004708224 Energy: 0.019182021004708224 Energy: 0.33110566114924456 Energy: 0.9588998767724793 Energy: 0.795758911396683 Energy: 0.08261326396481203 Energy: 0.017540061685958775 Energy: 0.017540061685958775 Energy: 0.8011585776203969 Energy: 0.23520604518954227 Energy: 0.3308779034991261 Energy: 0.5810566776613308 Energy: 0.01751855203453038 Energy: 0.0836616981780603 Energy: 0.01714005876605674 Energy: 0.6391247070034655 Energy: 0.3332933995311252 Energy: 0.329740745297216 Energy: 0.6476803595247979 Energy: 0.08214408884967252 Energy: 0.08352666445474041 minimum gb energy = 0.01673841559053169 eV minimum distance = 2.53001873470526 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 1.0543756550705117 Energy: 0.9265473993251843 Energy: 1.0743702104446955 Energy: 0.9875964808938501 Energy: 0.9880805304394819 Energy: 1.1363302467309129 Energy: 0.9366203707170249 Energy: 0.9290666128510304 Energy: 0.9948714290458257 Energy: 0.9313385458217593 Energy: 0.9759095888752782 Energy: 0.9701776775340423 Energy: 0.9440022661573345 Energy: 0.9923535285606072 Energy: 0.9254760888161417 Energy: 0.9912389167893418 Energy: 1.0003539256151082 Energy: 0.9694539558834625 Energy: 0.982830990121716 Energy: 1.0460993837677375 Energy: 0.9533408034766565 Energy: 0.9411665025590152 Energy: 0.983710060469961 Energy: 0.9475265175444787 Energy: 1.0242821556437367 Energy: 1.0022955380714675 Energy: 0.9324676330825096 Energy: 0.9917367907053898 Energy: 1.0359499306544258 Energy: 0.9576935613486502 Energy: 0.9857473335147621 Energy: 0.9608690897459875 Energy: 1.0024713017516844 Energy: 0.9883364193613956 Energy: 0.9760909886066125 Energy: 0.9705722492771227 Energy: 0.9944241521461751 Energy: 0.935831794216417 Energy: 0.9362424703515094 Energy: 0.988730673770661 Energy: 0.9677540823737056 Energy: 0.9326030953349296 Energy: 0.9293419716941951 Energy: 1.0173742910425823 Energy: 1.0398806421086495 Energy: 0.9721565510225477 Energy: 0.9734120640360163 Energy: 1.0450272212380984 Energy: 1.0108813186721948 Energy: 0.9701039537327509 Energy: 0.9469927769736431 Energy: 1.0006876839393755 Energy: 1.013554456154172 Energy: 0.9836036461000057 Energy: 0.9548538445859176 Energy: 1.014088743138081 Energy: 0.9475933202097936 Energy: 0.9817944018896997 Energy: 0.9908834551660839 Energy: 0.9683350088524028 Energy: 1.0203727697533795 Energy: 0.9791709165057474 Energy: 0.9784510725289929 Energy: 0.9438313381996208 Energy: 0.9750093293354982 Energy: 0.9821902107426809 Energy: 1.0066116376722798 Energy: 0.9849922401388204 Energy: 1.0089961322272052 Energy: 1.0185324020835247 Energy: 0.9604222698575874 Energy: 1.0475940388099212 Energy: 0.9252334530673836 Energy: 0.9704230704178215 Energy: 1.0907660443006446 Energy: 0.9429192922895229 Energy: 1.0075960208142656 Energy: 1.0219011193335483 Energy: 0.9993023370134377 Energy: 0.9393705569078633 Energy: 1.0125990553205428 Energy: 0.9834487014731017 Energy: 0.9362691626176551 Energy: 0.9839421686953017 Energy: 0.9467445963961998 Energy: 0.9795634515960286 Energy: 0.9681332779887919 Energy: 1.0195845765635991 Energy: 0.9996549690786444 Energy: 0.9550186006520655 Energy: 0.9815725189317753 Energy: 1.0273372048003218 Energy: 1.0049168733959257 Energy: 0.9739266359286376 Energy: 1.0414212434233945 Energy: 1.0336385549568323 Energy: 1.1067650441142374 Energy: 1.0423232437925216 Energy: 0.93034497758799 Energy: 0.9388485163753627 Energy: 0.9491198212368754 Energy: 0.9843666336359506 Energy: 0.9795715920758391 Energy: 0.9676609466074981 Energy: 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0.9334222228189298 Energy: 0.931436536154175 Energy: 0.9655624268016684 Energy: 0.9427269725914541 Energy: 0.9873929057250368 Energy: 1.0617696400395142 Energy: 0.9853244479044257 Energy: 0.9924526328393745 Energy: 1.0188585268224601 Energy: 1.009968111641475 Energy: 0.9675466444874364 Energy: 1.004275627315296 Energy: 0.9552050960916072 Energy: 0.9900067191444765 Energy: 0.927237929381361 Energy: 0.9491037211024325 Energy: 0.9784170178099509 Energy: 0.9645666333206485 Energy: 0.987739440386542 Energy: 1.010314582148581 Energy: 1.0092002097792419 Energy: 0.9917109135934884 Energy: 1.0157988255726256 Energy: 0.9859162906384547 Energy: 0.983528428710639 Energy: 1.0035378603469782 Energy: 0.9558076919232313 Energy: 1.0003731408516887 Energy: 0.9297300391787181 Energy: 0.985014452257869 Energy: 0.9399240014321606 Energy: 0.9310037760232703 Energy: 0.938897168553365 Energy: 0.942251867888129 Energy: 1.026654828334837 Energy: 1.0351394158599658 Energy: 0.9850992156022133 Energy: 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0.951762578483615 Energy: 0.9792180440320558 minimum gb energy = 0.9279114760920654 eV minimum distance = 2.27505323489489 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 0.9816122667896308 Energy: 0.959748950237764 Energy: 1.010253734221043 Energy: 0.9594389489283701 Energy: 1.0341456039754195 Energy: 0.9999400971704882 Energy: 1.0043807384745533 Energy: 0.9770510560467504 Energy: 0.9930653924021327 Energy: 0.9774863133070965 Energy: 0.9716948009388531 Energy: 0.9835990668319448 Energy: 0.9660359251734733 Energy: 1.0067466957234048 Energy: 0.9844120612687388 Energy: 0.9832903265778595 Energy: 0.9759597420451475 Energy: 0.9550879760519786 Energy: 0.9836861706950777 Energy: 0.9739260886015388 Energy: 0.9824433769872709 Energy: 0.9652831929644922 Energy: 1.0226792817539667 Energy: 0.981302081842217 Energy: 1.0621383051874074 Energy: 0.9933140155853467 Energy: 0.9789227172460634 Energy: 0.9932668020733896 Energy: 0.9891486926875422 Energy: 0.9837045459786572 Energy: 0.9846605416843212 Energy: 0.9998598482522548 Energy: 0.9729338166436211 Energy: 0.9687172425154977 Energy: 1.017946352087423 Energy: 0.9665755009122107 Energy: 0.9908562276986607 Energy: 0.975336952007381 Energy: 0.9563315634799066 Energy: 0.9657915852083417 Energy: 0.9630218857492931 Energy: 1.0308401979150241 Energy: 1.0168757518525018 Energy: 0.9491294271739248 Energy: 1.0169312429570934 Energy: 0.9528498503358177 Energy: 0.9847772881545261 Energy: 0.9947357538549016 Energy: 0.9521988132039135 Energy: 0.9780407106421201 Energy: 0.9833434215115449 Energy: 0.9873535315812747 Energy: 1.0228365454923003 Energy: 0.9994943016595652 Energy: 0.9681263340499044 Energy: 1.0219602565059467 Energy: 0.9831913518008849 Energy: 1.0161069532094342 Energy: 1.0154633882628683 Energy: 0.9549592389633702 Energy: 0.9728474243238453 Energy: 0.9740121984722567 Energy: 0.9898107758850216 Energy: 0.9582742511629607 Energy: 1.0485029276537357 Energy: 0.9613845913626813 Energy: 1.0112105022623117 Energy: 0.9842719319682892 Energy: 0.9814852775016305 Energy: 0.9811557943544059 Energy: 0.9900662130505384 Energy: 1.0145984689436351 Energy: 0.9824130111616671 Energy: 0.9932309222951972 Energy: 1.0189717559527516 Energy: 0.9935874793344002 Energy: 1.0203815697639917 Energy: 0.9680773652641477 Energy: 0.9960900362042233 Energy: 0.9618233466905893 Energy: 0.9493289368170176 Energy: 0.9741822971705357 Energy: 0.95880857474673 Energy: 0.9898952443481668 Energy: 1.0077353477068975 Energy: 0.9502342934967025 Energy: 0.9759109584081053 Energy: 0.9471921579194231 Energy: 0.9909192548191154 Energy: 0.9948697827931963 Energy: 1.0160166695340371 Energy: 0.9878932641690165 Energy: 1.0234179232513383 Energy: 1.0095189915110847 Energy: 1.016095402717446 Energy: 1.0607295030165396 Energy: 1.0158699607001782 Energy: 1.0421312440991102 Energy: 1.0039074158608778 Energy: 1.0394076349222403 Energy: 0.9955348818452043 Energy: 0.9747109946920638 Energy: 0.9713863297004356 Energy: 0.9519739843813244 Energy: 0.9824134941953565 Energy: 0.9642750800946517 Energy: 0.9709830490613912 Energy: 0.962831825092771 Energy: 0.9415850594212919 Energy: 0.9889814601616598 Energy: 0.9580751384879864 Energy: 1.0021471379654916 Energy: 0.9802313038624334 Energy: 1.000258190489856 Energy: 1.015044145324992 Energy: 0.9782561800010873 Energy: 1.011953399369444 Energy: 0.9825925374953749 Energy: 0.9852454114121896 Energy: 0.956691503732659 Energy: 0.9906531504611077 Energy: 0.9772797831450416 Energy: 0.9646809916281174 Energy: 0.9801085113409639 Energy: 0.920661860731447 Energy: 0.9902975484128135 Energy: 1.0258934754576412 Energy: 1.0180613179663338 Energy: 0.9528589074874656 Energy: 0.9409120659483031 Energy: 0.9774561542940146 Energy: 0.9744302600709693 Energy: 1.0001600922797074 Energy: 1.0375775789759123 Energy: 1.0071048773941271 Energy: 0.9870276832925584 Energy: 1.0194146200870595 Energy: 1.0970795593989526 Energy: 1.0130980986495473 Energy: 1.0491544732475633 Energy: 1.01231654288891 Energy: 1.0098093775910837 Energy: 0.9441066844758159 Energy: 0.9466965828460016 Energy: 0.9556954984003158 Energy: 0.9603825769618582 Energy: 0.9603296618912981 Energy: 0.9590898109732066 Energy: 0.9738881779247496 Energy: 0.9819072223958135 Energy: 0.9630815128460771 Energy: 0.9825621191149805 Energy: 0.9562966620416953 Energy: 0.9774486654924212 Energy: 0.983759699514863 Energy: 0.9637287085781449 Energy: 0.9991239598685053 Energy: 1.0175747575798761 Energy: 0.9711634968746802 Energy: 0.9823111017417571 Energy: 1.0078496202306795 Energy: 0.9683438378976528 Energy: 1.01415553779601 Energy: 0.9693500370455421 Energy: 0.9550071030928282 Energy: 0.9576996846496343 Energy: 0.9451146159628637 Energy: 0.9911240784031914 Energy: 0.9979514448725693 Energy: 0.9984128302200534 Energy: 1.0585277658572816 Energy: 0.9830381310221483 Energy: 0.9922135228049248 Energy: 0.9445307222653286 Energy: 1.0255394298373621 Energy: 1.0502135698341775 Energy: 0.9648407179916549 Energy: 1.004122607237763 Energy: 1.075654049219861 Energy: 1.0444535853500763 Energy: 1.0537034199755875 Energy: 1.0480982850454743 Energy: 0.991058920250473 Energy: 0.9686817418041825 Energy: 0.98044224395552 Energy: 0.9514806239272088 Energy: 0.9791211957758246 Energy: 0.9945679964034532 Energy: 0.9850659776442673 Energy: 0.9952228432615984 Energy: 0.9547543549772224 Energy: 0.9512554587315637 Energy: 0.9556098724471915 Energy: 0.9986010046743116 Energy: 0.9422178337417964 Energy: 1.005254796719001 Energy: 0.9923980537999244 Energy: 0.9642087183997126 Energy: 0.9834661703433463 Energy: 0.9782182521128763 Energy: 1.0194124574613361 Energy: 0.9801051221272753 Energy: 1.0139419737017739 Energy: 0.9544422292442568 Energy: 0.9811159150841869 Energy: 0.9815012006354008 Energy: 0.9846266925554541 Energy: 0.9778921489102181 Energy: 0.9913553448952682 Energy: 0.9995909817226216 Energy: 1.0477280147789154 Energy: 0.983431925785506 Energy: 0.9747720688041165 Energy: 1.0152117122315074 Energy: 0.9811911105897194 Energy: 0.9509955051189489 Energy: 0.9514524714212987 Energy: 0.9951238804076842 Energy: 1.0038548411420918 Energy: 0.9914045948284642 Energy: 1.0584700949726653 Energy: 1.061042031307307 Energy: 1.022180367065585 Energy: 1.0367081223334564 Energy: 0.9930364773357246 Energy: 0.9676152660224777 Energy: 0.9892383581615972 Energy: 0.9724784629863731 Energy: 0.9775868923004031 Energy: 0.9735962820073146 Energy: 1.0003197140304563 Energy: 1.0102547865604061 Energy: 0.9824902829997468 Energy: 0.9652743773970223 Energy: 0.9566010130216575 Energy: 0.9920077606619956 Energy: 0.9716788338776692 Energy: 0.9920000073717846 Energy: 0.9642858233841056 Energy: 0.9515935798134475 Energy: 1.0040324441490447 Energy: 0.9862544107928796 Energy: 1.0041136116810365 Energy: 0.9756578853171145 Energy: 1.0475116749807059 Energy: 1.009212291004305 Energy: 1.040881214292961 Energy: 0.9541750462195014 Energy: 1.039499426419525 Energy: 0.9655111689789987 Energy: 0.979416019222066 Energy: 0.99603191619384 minimum gb energy = 0.920661860731447 eV minimum distance = 2.29034339855324 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 0.9024827755449543 Energy: 0.9333859160766868 Energy: 1.228638713676177 Energy: 1.1026406430776925 Energy: 0.9839551878265861 Energy: 1.0193518048277637 Energy: 0.887734253581745 Energy: 0.9378040097571964 Energy: 0.9803080049872749 Energy: 1.0178331943090093 Energy: 1.002242636193505 Energy: 0.9505251906862957 Energy: 0.9600528580479659 Energy: 0.9645162517337825 Energy: 0.9566448744519087 Energy: 0.9394478660288806 Energy: 0.9448468092318051 Energy: 0.9914373390261672 Energy: 0.9507982380653728 Energy: 0.9580753025039671 Energy: 0.9560987496614299 Energy: 0.951743774427954 Energy: 0.935129448440653 Energy: 1.0161451841211802 Energy: 0.950180579358235 Energy: 0.9892097800614388 Energy: 1.0356588740240649 Energy: 1.0250842793031738 Energy: 0.958462819952896 Energy: 0.9489936958711185 Energy: 1.0249917028200224 Energy: 0.9495044105238944 Energy: 0.9951171863222504 Energy: 1.017403909118076 Energy: 0.9575081246334222 Energy: 0.8867944815963572 Energy: 0.9506274587268093 Energy: 0.9450546989213641 Energy: 0.939527436463365 Energy: 0.9831465017756381 Energy: 0.9564070808678882 Energy: 0.9664545263645022 Energy: 0.9522925271289582 Energy: 0.9693767358061076 Energy: 0.9437480519990435 Energy: 0.9775550839708219 Energy: 0.88910560347324 Energy: 0.8914580159895763 Energy: 0.9576017114074555 Energy: 0.8895668337404676 Energy: 0.981980358577699 Energy: 1.039670514422426 Energy: 0.9388559885743553 Energy: 1.0332931119241813 Energy: 0.9472699304298606 Energy: 0.9611562606982382 Energy: 0.8897519525532616 Energy: 0.9844783289253899 Energy: 1.0233499737665708 Energy: 0.9398518483377696 Energy: 0.948695139849164 Energy: 0.9488877279533542 Energy: 1.042103465736352 Energy: 0.9523240636341719 Energy: 0.9706248454468641 Energy: 1.0347914882052485 Energy: 0.9888212472687159 Energy: 0.9511244044951115 Energy: 0.9562829935538563 Energy: 0.9566284930958014 Energy: 0.9536294236462709 Energy: 0.9366088444168551 Energy: 0.9454006564781899 Energy: 0.9366047418099434 Energy: 0.9491512697603276 Energy: 0.9703761783514863 Energy: 1.0152348110618041 Energy: 0.9694664705608954 Energy: 0.9520816997270117 Energy: 1.0116120630952852 Energy: 0.9385491402942983 Energy: 0.998861791662525 Energy: 1.0355374678709066 Energy: 0.9612275121394588 Energy: 0.8892527532853761 Energy: 0.9493109611128712 Energy: 1.0338866019492694 Energy: 0.9495311634525734 Energy: 1.0270788308374326 Energy: 1.0347100768792445 Energy: 0.9569729814923651 Energy: 0.951346933845856 Energy: 0.938054171134737 Energy: 0.9454635299696351 Energy: 1.0225316371829365 Energy: 0.8884223327784103 Energy: 0.8890116559103225 Energy: 0.9576872822239568 Energy: 0.8871842664253434 Energy: 0.9681559690449825 Energy: 0.9459994265804945 Energy: 1.0000824999572815 Energy: 0.8876943849293116 Energy: 0.8885727471413225 Energy: 0.9662685232763139 Energy: 0.8884853343214623 Energy: 0.97268279219317 Energy: 0.9860415494838632 Energy: 0.9475281565089478 Energy: 0.9846665228562581 Energy: 1.0189744812614663 Energy: 0.887877521223499 Energy: 0.9582333030823174 Energy: 0.9804203469125475 Energy: 1.0181332648867643 Energy: 0.9991050186589571 Energy: 0.9503145273418998 Energy: 0.9594559753203656 Energy: 0.9664864101355093 Energy: 0.9582034134047919 Energy: 0.9385546593395361 Energy: 0.9454615652340047 Energy: 0.9910441130389889 Energy: 0.950857841448566 Energy: 0.9580828703537768 Energy: 0.9560018298549141 Energy: 0.9518759670894734 Energy: 0.9382019974990992 Energy: 1.0154681890629618 Energy: 0.950448072775499 Energy: 0.9894559613221088 Energy: 1.0358303222768763 Energy: 1.0798208017426385 Energy: 0.9579516311243489 Energy: 0.9489677873329788 Energy: 1.0250427759339589 Energy: 0.9487919182030227 Energy: 0.9939794566447081 Energy: 1.0171368277587678 Energy: 0.9575976928789558 Energy: 0.8867602600310827 Energy: 0.9508321105686401 Energy: 0.9449312388891978 Energy: 0.9393475725736871 Energy: 0.9837929000521071 Energy: 0.8874905386405184 Energy: 0.9664522251826364 Energy: 0.9521673280817703 Energy: 0.9687972755423677 Energy: 0.9438637676411384 Energy: 1.001045183588793 Energy: 0.8892937747665843 Energy: 0.8918429138749555 Energy: 0.9573104844265232 Energy: 0.8892002984612252 Energy: 0.9817904891458384 Energy: 1.0401204188425015 Energy: 0.938186278835536 Energy: 1.03263021095615 Energy: 0.9489515845677596 Energy: 0.9549141298175172 Energy: 0.88998035651974 Energy: 0.9847679656616167 Energy: 1.0237941594072728 Energy: 0.9392737247907723 Energy: 0.9488764185096669 Energy: 0.9476133754122114 Energy: 0.9660567000559538 Energy: 0.9524370858811113 Energy: 0.9705552912893589 Energy: 1.0345739053043863 Energy: 0.9888111888282732 Energy: 0.9512218390341877 Energy: 0.9561199890196952 Energy: 0.955860549907451 Energy: 0.9531643152805562 Energy: 0.9365532793642534 Energy: 0.9454418762154001 Energy: 0.9370192019679071 Energy: 0.9488420747909851 Energy: 0.9449172309657166 Energy: 1.0144558497393534 Energy: 0.9699096831514439 Energy: 0.9522443913571974 Energy: 1.0172759786417194 Energy: 0.9387347680845869 Energy: 0.9990229417110038 Energy: 0.9511332166934006 Energy: 0.9616681712584497 Energy: 0.8898880841835571 Energy: 0.949572958002447 Energy: 1.0333029334922141 Energy: 0.950156746169385 Energy: 1.0272754517460772 Energy: 1.0338564326551554 Energy: 0.9569755875219327 Energy: 0.9513540774956799 Energy: 0.9383999843735125 Energy: 0.9450051520611767 Energy: 1.0230381024253403 Energy: 0.8883838234109364 Energy: 0.888889350177058 Energy: 0.95954677293838 Energy: 0.8866526274228865 Energy: 0.9683277023097833 Energy: 0.9459709360813935 Energy: 0.9379699031166826 Energy: 0.8875668590361269 Energy: 0.8884465418262887 Energy: 0.9642899636729093 minimum gb energy = 0.8866526274228865 eV minimum distance = 2.30701952281618 Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: 1.2116339885013472 Energy: 1.0446196643873478 Energy: 0.9225828987403227 Energy: 1.286835246821064 Energy: 0.9715373978477339 Energy: 1.010105709345565 Energy: 1.077031533148531 Energy: 1.0087177529384168 Energy: 0.9760880753153567 Energy: 1.0339364537324116 Energy: 0.9697238008064898 Energy: 0.9614208666845606 Energy: 1.0771483547035658 Energy: 0.9961657363539873 Energy: 0.9531861702093044 Energy: 0.920602197757776 Energy: 0.9821057558289062 Energy: 1.0225942019728915 Energy: 0.9862639107507338 Energy: 0.952334581831923 Energy: 1.01604416172944 Energy: 0.9816521840188039 Energy: 0.9398611973558149 Energy: 0.9781195011806254 Energy: 0.9613355203267503 Energy: 0.9634427005971489 Energy: 1.033824020077814 Energy: 1.0037160280410058 Energy: 0.9496249904099068 Energy: 0.9242670002606662 Energy: 0.9411085768647293 Energy: 0.9096266534158424 Energy: 0.9078106490780465 Energy: 0.9538487691266186 Energy: 0.9608140163272603 Energy: 0.9402824042551278 Energy: 0.9277208541058294 Energy: 0.9972434325562328 Energy: 0.9492629212133118 Energy: 0.9726120230891979 Energy: 0.9371937228856798 Energy: 0.9561466324401835 Energy: 1.0541921405173944 Energy: 0.9449316065068181 Energy: 0.9303143710200812 Energy: 0.9566934826735133 Energy: 0.9286279257766464 Energy: 0.9187486593528121 Energy: 0.9473788584192077 Energy: 0.9736790615824956 Energy: 0.9247936267495867 Energy: 0.9687579311630579 Energy: 0.977368080215738 Energy: 0.8832396467639726 Energy: 0.958962226986873 Energy: 0.9598230439448259 Energy: 0.9547867814280677 Energy: 0.9434549428183959 Energy: 0.985010810764616 Energy: 0.9026984614642138 Energy: 0.9246413490149887 Energy: 1.1153436677098614 Energy: 0.940936959371434 Energy: 1.1155950913565496 Energy: 1.0339656423371317 Energy: 0.9390515069254229 Energy: 1.0808193999247633 Energy: 0.9802699591604418 Energy: 1.019143028958977 Energy: 1.0928596887885682 Energy: 0.952591300926707 Energy: 0.9712112532612277 Energy: 0.95635208002762 Energy: 0.9854240507797014 Energy: 0.9564706525178359 Energy: 0.9369884392326935 Energy: 0.9545785403254378 Energy: 0.9510928398064686 Energy: 0.9558640264204489 Energy: 1.066100462058917 Energy: 0.9515384734747917 Energy: 1.0346742127508084 Energy: 1.1568573577887173 Energy: 0.9716289064661402 Energy: 1.116193007290561 Energy: 1.005278180227189 Energy: 0.9404881839239895 Energy: 1.093064624346342 Energy: 0.9719264321765608 Energy: 0.9212989027773041 Energy: 0.9248726153259387 Energy: 1.1127073002566537 Energy: 0.9517980176854732 Energy: 0.9378465134860762 Energy: 0.967190702350924 Energy: 0.9638742648259913 Energy: 0.940842909242275 Energy: 0.9671771305030307 Energy: 0.9512070002993089 Energy: 0.9474182022779142 Energy: 1.0476210364532663 Energy: 1.0242212095582384 Energy: 0.9340224659921392 Energy: 1.098749305466922 Energy: 0.9822108324585997 Energy: 1.1243927275597572 Energy: 0.9700909829907919 Energy: 0.9296750677366886 Energy: 0.9406551915224012 Energy: 0.9626081287548391 Energy: 0.9541979792620282 Energy: 0.9786335072644897 Energy: 0.8962345428625633 Energy: 0.9829354761557056 Energy: 0.9342658748164478 Energy: 0.8530357810577806 Energy: 0.9073012794335907 Energy: 0.9380686127055747 Energy: 0.9882414172141675 Energy: 0.9407557346124262 Energy: 0.9231059375350738 Energy: 1.0018890154299591 Energy: 0.9070380349092816 Energy: 0.9083269296078581 Energy: 0.9646845508758457 Energy: 0.8920101503895904 Energy: 0.9150139793223961 Energy: 0.920035454473696 Energy: 0.9358005181176697 Energy: 0.9340118192407206 Energy: 0.9235671719918743 Energy: 0.914686142230954 Energy: 0.9560164765187014 Energy: 0.9354640889237102 Energy: 0.9377369234780961 Energy: 0.9307179762943955 Energy: 0.9756287479771102 Energy: 0.9710329814972267 Energy: 0.9464477690691685 Energy: 0.944027247404426 Energy: 0.9404690522056519 Energy: 0.93103673004535 Energy: 1.0021875215094829 Energy: 0.9127497479514122 Energy: 1.1508293530372922 Energy: 1.0738108306229162 Energy: 0.9684420650058705 Energy: 1.0907548058144123 Energy: 0.9336330190907569 Energy: 0.956094941590898 Energy: 0.9563022418354368 Energy: 0.9632516649707669 Energy: 0.9382437780338837 Energy: 0.9486634110143286 Energy: 1.1626634449845146 Energy: 0.9912648608508596 Energy: 0.9552907566182293 Energy: 0.9499169963423711 Energy: 1.0220034917687124 Energy: 0.9523801348092032 Energy: 0.9567653603206312 Energy: 0.951997132720797 Energy: 0.9673527947924551 Energy: 1.0157050009477218 Energy: 1.0231962649414768 Energy: 1.1443494948142021 Energy: 1.0879194118409798 Energy: 1.0264040273860022 Energy: 1.0832888196137442 Energy: 0.9683792513156158 Energy: 0.9001356408909372 Energy: 1.075414510531011 Energy: 0.9429470997946765 Energy: 0.9686086631212514 Energy: 0.9551897341663561 minimum gb energy = 0.8530357810577806 eV minimum distance = 2.31461344265761 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 1.12469293248668 Energy: 0.999168861715181 Energy: 1.208196106039288 Energy: 1.2449758029778686 Energy: 1.1637030884916892 Energy: 1.115168981384128 Energy: 1.1939539230047183 Energy: 1.126492525463903 Energy: 1.1437858476303278 Energy: 1.09128498737096 Energy: 1.0271669830548062 Energy: 1.0165997200011498 Energy: 0.9813538999278708 Energy: 1.0585577911799726 Energy: 1.1687026216053351 Energy: 1.0985073266396297 Energy: 1.0918030281945543 Energy: 1.0889121068529894 Energy: 1.1593215063951408 Energy: 1.062777442663616 Energy: 0.9821641251559892 Energy: 1.0728077228784982 Energy: 1.1226907273295992 Energy: 1.0810679939054209 Energy: 1.1513003133708697 Energy: 1.1723362292941304 Energy: 1.1303944504541583 Energy: 1.1053693649137568 Energy: 0.9508406268802875 Energy: 1.025710964517848 Energy: 0.9930325966762042 Energy: 1.043453247306491 Energy: 1.019143816409784 Energy: 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0.9966634448594033 Energy: 0.9697318648903064 Energy: 0.9569460012525446 Energy: 0.9473802374954658 Energy: 0.9607880517479114 Energy: 1.0488212091767888 Energy: 0.9934352034788526 Energy: 0.9413081998212451 Energy: 0.9312881899076015 Energy: 1.0469789763633905 Energy: 1.0087096006255318 Energy: 0.9886566689672264 Energy: 1.0473340771565658 Energy: 0.9884994644645638 Energy: 1.0084321259690492 Energy: 0.9625964099578611 Energy: 1.0107297858062718 Energy: 0.9244833104898431 Energy: 0.9967958588035611 Energy: 0.9586680427329138 Energy: 0.9265632181982761 Energy: 1.0300158794593726 Energy: 0.9674160083014132 Energy: 1.02863176005699 Energy: 0.956082666063928 Energy: 0.9351312312054226 Energy: 1.075825527628328 Energy: 0.9616536160168356 Energy: 0.9835257122997134 Energy: 1.0736287550253312 Energy: 1.029547637675465 Energy: 1.0001583422745892 Energy: 1.003290905979246 Energy: 1.0310033501923102 Energy: 1.0963869701124256 Energy: 0.9134961197092585 Energy: 1.0593857799498934 Energy: 1.0448318160279713 Energy: 0.9852885772551422 Energy: 0.9948157999332066 Energy: 1.0329380733169082 Energy: 1.0710446444617394 Energy: 1.013037174492129 Energy: 1.108827631152462 Energy: 1.0429115075050917 Energy: 1.1166725866705394 Energy: 1.0729047543135017 Energy: 1.1552716069664049 Energy: 1.0740458338191767 Energy: 1.0108060290298215 Energy: 1.0723819109181663 Energy: 1.0589278998571232 Energy: 1.0580605561717917 Energy: 1.1011364782912896 Energy: 1.0319015795245579 Energy: 1.0928877323417068 Energy: 1.042578447707369 Energy: 1.1302395168916124 Energy: 1.0304835977280518 Energy: 0.9919970830631638 Energy: 0.9584227020447156 Energy: 1.0668542027311236 Energy: 1.0879901836665098 Energy: 1.113779200258594 Energy: 1.090652966946589 Energy: 1.1380968949417227 Energy: 1.2129286688024268 Energy: 1.1719217184026096 Energy: 1.1295544238991966 Energy: 1.1390127220903459 Energy: 1.2083186267855757 Energy: 1.0797814047945324 Energy: 1.0335577045700726 Energy: 1.098217093111991 Energy: 1.1242888689679171 Energy: 1.1247315926067416 Energy: 1.0729919074635181 Energy: 1.0447293652008187 Energy: 0.9858386651533516 Energy: 1.0881643494119362 Energy: 1.0672905503224661 Energy: 1.1466888985723525 Energy: 1.1293597074439645 Energy: 1.0862819292091555 Energy: 1.1107836925973595 Energy: 1.0377995185845437 Energy: 1.1369171760172934 Energy: 1.2068284502596098 Energy: 1.2022231042477727 Energy: 1.1386384701995285 Energy: 1.033702308065693 Energy: 1.0013110771340321 Energy: 1.1170881135748245 Energy: 1.0302006869839575 Energy: 1.0276892205556718 Energy: 0.9692435493230455 Energy: 0.9558594449906755 Energy: 1.118190461887332 Energy: 1.037557662844934 Energy: 1.1326073532122878 Energy: 1.0915554910033798 Energy: 1.155457886975112 Energy: 1.1800391112499204 Energy: 1.07249768560828 Energy: 1.0472251963368089 Energy: 1.0379296470171682 Energy: 1.1319065587269894 Energy: 1.1125568486793447 Energy: 1.1203746940805912 Energy: 1.1774443979273352 Energy: 1.132075421733965 Energy: 1.1053601749419122 Energy: 0.8909441727895344 Energy: 0.9811548515800984 Energy: 1.0799543233337523 Energy: 0.9949354140705298 Energy: 1.0350551027545625 Energy: 1.0969866593074187 Energy: 1.0884415891644597 Energy: 1.0167568164501248 Energy: 1.040812973412761 Energy: 1.040177955994678 Energy: 1.0050971458046538 Energy: 1.0291676385238935 Energy: 1.067403921458033 Energy: 1.0446850565298498 Energy: 1.01187508046586 Energy: 0.9630208937688411 Energy: 1.0470200724120489 Energy: 1.0149436603524287 Energy: 0.9986229381075354 Energy: 1.0067504840376895 Energy: 1.026714446835656 Energy: 1.051434010367256 Energy: 0.9747218956848309 Energy: 1.0329196391324196 Energy: 1.0001606428509573 Energy: 1.0062781745556695 Energy: 0.9830262613916351 Energy: 0.9409753083528215 Energy: 0.9295528168073691 Energy: 0.9648581889678292 Energy: 1.0268252967546196 Energy: 1.0012251647890953 Energy: 1.0386065056137839 Energy: 1.0217720828700894 Energy: 1.0390471191162274 Energy: 1.0199542417695548 Energy: 0.9620718825945924 Energy: 1.0969157451125606 Energy: 0.9240551450429779 Energy: 0.9357937041634956 Energy: 1.0122742272769012 Energy: 0.9480045829057934 Energy: 0.9976845269344159 Energy: 0.9599597229789816 Energy: 0.9590044673682803 Energy: 0.9623842206158203 Energy: 0.9743987692801527 Energy: 1.000127590459985 Energy: 0.982042831681705 Energy: 0.925309789530356 Energy: 0.9887594989618287 Energy: 1.046911466200516 Energy: 1.0358061600181814 Energy: 1.0447138542543182 Energy: 1.1070685929882818 Energy: 0.9903262968037634 Energy: 0.9143750607937738 Energy: 0.9458979409418088 Energy: 0.9994159947046944 Energy: 0.9293131056225563 Energy: 1.0367572485740377 Energy: 0.9414673811101945 Energy: 0.9547198800950354 Energy: 1.0278390708854168 Energy: 0.9619800156680192 Energy: 0.994374016292634 Energy: 0.9746410386545095 Energy: 1.0141179350935394 Energy: 1.057609423900392 Energy: 1.0050951418643104 Energy: 0.9690042076063179 Energy: 1.019912041548341 Energy: 1.035268796282459 Energy: 0.9346357290422554 Energy: 0.9787337506027974 Energy: 1.0446639560646227 Energy: 1.0069004406315432 Energy: 0.906024897689002 Energy: 0.9686034543771727 Energy: 1.0510796759735757 Energy: 1.0014575896486546 Energy: 0.9798071248964537 Energy: 1.0339423702553656 Energy: 1.0652661568159774 Energy: 1.0176531909912214 Energy: 1.0653795209371892 Energy: 1.042990184502569 Energy: 1.1109671253096784 Energy: 1.1078270881779755 Energy: 1.066524001724566 Energy: 1.0234647283843026 Energy: 1.0124026286253454 Energy: 1.1185455644858937 Energy: 1.079423735396325 Energy: 1.0911374012735613 Energy: 1.1217418860166992 Energy: 1.0626164317472198 Energy: 1.011183671821268 Energy: 1.0644019381106737 Energy: 1.1210884426932035 Energy: 1.0957297811904814 Energy: 1.0538839678265868 Energy: 0.9976722674202264 Energy: 0.9834811911476576 Energy: 1.0618732646943063 Energy: 1.1243629981411702 Energy: 1.1165387215882343 Energy: 1.1475442328300574 Energy: 1.2236550469781602 Energy: 1.1699047068422146 Energy: 1.1288157116358064 Energy: 1.1623466781444076 Energy: 1.0316835189705151 Energy: 1.0061615645736977 Energy: 1.0357489256854568 Energy: 1.0446105284463256 Energy: 1.1381772514561688 Energy: 1.1019582791438294 Energy: 1.0163544047101531 Energy: 1.2171239334050106 Energy: 1.127482932500795 Energy: 1.086527400105477 Energy: 1.1503811491123397 Energy: 1.1518968071874958 Energy: 1.1137172039791976 Energy: 1.0575411138792588 Energy: 1.1220140857237153 Energy: 0.9581088481248166 Energy: 1.2054078043709244 Energy: 1.2453274090086464 Energy: 1.1232789883027738 Energy: 1.1144332640756247 Energy: 1.0481837719528246 minimum gb energy = 0.8909441727895344 eV minimum distance = 2.27380864951167 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 0.99461281295206 Energy: 0.9668075246031191 Energy: 0.9692120809068974 Energy: 0.9025931528371436 Energy: 0.9034055168440529 Energy: 0.9653742775872765 Energy: 0.9674499823111509 Energy: 1.0271969230408078 Energy: 1.0271969230408078 Energy: 0.9505414667427952 Energy: 0.9030661551906065 Energy: 0.9033633152315361 Energy: 0.9038511226649205 Energy: 0.9038511226649205 Energy: 0.9553988862493882 Energy: 0.9553988862493882 Energy: 0.9505208375764881 Energy: 0.9029010543216492 Energy: 0.9033093048442875 Energy: 0.9029633696223819 Energy: 0.9033097826062659 Energy: 0.956150075234035 Energy: 0.956150075234035 Energy: 0.9026543325249398 Energy: 0.9027816976352976 Energy: 0.9026809140808754 Energy: 0.9027632055135998 Energy: 0.9716137266991527 Energy: 0.9927791244983439 Energy: 0.9927791244983439 Energy: 0.9610161616074019 Energy: 0.9610161616074019 Energy: 0.9610161616074019 Energy: 0.960456962416105 Energy: 0.960456962416105 Energy: 0.9593142205858959 Energy: 0.9593142205858959 Energy: 0.9029814984326189 Energy: 0.9030445733439562 Energy: 0.9031885557491345 Energy: 0.9030064630420667 Energy: 0.9681501888153702 Energy: 0.9559553062697053 Energy: 0.9559553062697053 Energy: 0.953071050137318 Energy: 0.9035106816343889 Energy: 0.9035716045205335 Energy: 0.9026881911449158 Energy: 0.9026881911449158 Energy: 0.9552293363232959 Energy: 0.9552293363232959 Energy: 0.9518701943077071 Energy: 0.9033763554806101 Energy: 0.9034682499633552 Energy: 0.9501064863649042 Energy: 0.9501064863649042 Energy: 0.9582289651690273 Energy: 0.9582289651690273 Energy: 0.9025834363943668 Energy: 0.9030626187363802 Energy: 0.9027527505682703 Energy: 0.902568634599089 Energy: 0.9689930324962049 Energy: 0.9924643117035598 Energy: 0.9924643117035598 Energy: 0.9610179904607741 Energy: 0.9610179904607741 Energy: 0.9610179904607741 Energy: 0.9599508488721126 Energy: 0.9599508488721126 Energy: 0.9576742082032416 Energy: 0.9576742082032416 Energy: 0.902844880814021 Energy: 0.9026794987341127 Energy: 0.9028044830954238 Energy: 0.9024913618732422 Energy: 0.9699106021640416 Energy: 0.9551872172566587 Energy: 0.9551872172566587 Energy: 0.9514442584252815 Energy: 0.9035466261805364 Energy: 0.9031684289008411 Energy: 0.9030303618047167 Energy: 0.9030303618047167 Energy: 0.9564756129858201 Energy: 0.9564756129858201 Energy: 0.9535081548797641 Energy: 0.9035138957142914 Energy: 0.9033607938563826 Energy: 0.9035344259016036 Energy: 0.9035344259016036 Energy: 0.9583400140470237 Energy: 0.9583400140470237 Energy: 0.9032656877165721 Energy: 0.9029116608928264 Energy: 0.9033013846446103 Energy: 0.9032764744468583 Energy: 0.9676983926915927 Energy: 0.9930734502039801 Energy: 0.9930734502039801 Energy: 0.9608428648833336 Energy: 0.9035064242458495 Energy: 0.9034183533858351 Energy: 0.9034183533858351 Energy: 0.9034183533858351 Energy: 0.9558333857224282 Energy: 0.9558333857224282 Energy: 0.9027629249345374 Energy: 0.9029219850854115 Energy: 0.9030366824135544 Energy: 0.9027321979078636 Energy: 0.9027664552917075 Energy: 0.9555153605395944 Energy: 0.9555153605395944 Energy: 0.9028642090645534 Energy: 0.903135508893064 Energy: 0.9028113314799003 Energy: 0.9026767955022437 Energy: 0.902841132690818 Energy: 0.9933716572676472 Energy: 0.9933716572676472 Energy: 0.9511177162464435 Energy: 0.9035165925353135 Energy: 0.9035007875059072 Energy: 0.9041524546868785 Energy: 0.9041524546868785 Energy: 0.9593915430217387 Energy: 0.9593915430217387 Energy: 0.9033932811351033 Energy: 0.9028485859822452 Energy: 0.9032288588824322 Energy: 0.9036188632349453 Energy: 0.9675473987326403 Energy: 0.9570147101378906 Energy: 0.9570147101378906 Energy: 0.9539118179915794 Energy: 0.9036926629441852 Energy: 0.9029656011496113 Energy: 0.904025156940766 Energy: 0.904025156940766 minimum gb energy = 0.9024913618732422 eV minimum distance = 2.3884626184601 Angstroms sigma value = 23