Model name: model_name=MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_001 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Al Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.049999177455902 cohesive_energy=3.3532637442064797 mass=26.981538 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=60.0 Max. denominator: max_denominator=8 Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5 Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.012654277627063544 Energy: 0.29093638029111535 Energy: 0.7948839109634758 Energy: 0.29090205240491585 Energy: 0.012654277627856909 Energy: 0.29093638029111535 Energy: 0.6423154640133231 Energy: 0.4252286472299407 Energy: 0.01282508436919226 Energy: 0.10151537938910543 Energy: 0.01282941363595725 Energy: 0.4252286472301447 Energy: 0.012825084369010921 Energy: 0.10151537938969481 Energy: 0.012654277627063544 Energy: 0.29093638029111535 Energy: 0.7948839109632718 Energy: 0.29090205240491585 Energy: 0.012654277627856909 Energy: 0.29093638029111535 Energy: 0.6423154640135271 Energy: 0.4252286472299407 Energy: 0.01282508436919226 Energy: 0.10151537938890143 Energy: 0.01282941363595725 Energy: 0.4252286472301447 Energy: 0.012825084369010921 Energy: 0.10151537938969481 Energy: 0.012654277627244885 Energy: 0.29093638029111535 Energy: 0.5089138209000656 Energy: 0.29090205240491585 Energy: 0.012654277627856909 Energy: 0.29093638029111535 Energy: 0.6423154640131418 Energy: 0.4252286472299407 Energy: 0.01282508436919226 Energy: 0.10151537938890143 Energy: 0.01282941363595725 Energy: 0.4252286472299407 Energy: 0.012825084369010921 Energy: 0.10151537938949079 minimum gb energy = 0.012654277627063544 eV minimum distance = 2.83297767560926 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 0.6798240964193059 Energy: 0.7035226125255843 Energy: 0.7145204114463365 Energy: 0.7034455239220273 Energy: 0.6798240964168688 Energy: 0.7035226125304582 Energy: 0.7082450973855696 Energy: 0.6588336499273529 Energy: 0.6464348974267932 Energy: 0.7291597182290385 Energy: 0.6676997262938895 Energy: 0.6588336499273529 Energy: 0.6464348974243562 Energy: 0.7291597182290385 Energy: 0.6436729078569267 Energy: 0.6608370565440252 Energy: 0.735456170162823 Energy: 0.668837404384513 Energy: 0.6436729078569267 Energy: 0.6608370565440252 Energy: 0.735456170162823 Energy: 0.6839790712730655 Energy: 0.6723044026859668 Energy: 0.7285553182835818 Energy: 0.6560986360942953 Energy: 0.6839790712755024 Energy: 0.6723044026884037 Energy: 0.7285553182835818 Energy: 0.640043419056205 Energy: 0.637151093935901 Energy: 0.7491412586886664 Energy: 0.6650580155762851 Energy: 0.640043419058642 Energy: 0.637151093935901 Energy: 0.7491412586886664 Energy: 0.6683190374032018 Energy: 0.6754103883229987 Energy: 0.7067622176097046 Energy: 0.6379455883530838 Energy: 0.6683190374032018 Energy: 0.6754103883254358 Energy: 0.7067622176072677 Energy: 0.6402895473664895 Energy: 0.678016471122596 Energy: 0.7356773626299299 Energy: 0.6668752201333434 Energy: 0.6402895473689264 Energy: 0.6780164711201591 Energy: 0.731390350773806 Energy: 0.6410427876948995 Energy: 0.648264299245236 Energy: 0.7142427351520128 Energy: 0.6556752502011183 Energy: 0.6410427876973366 Energy: 0.6482642992476729 Energy: 0.7142427351495757 Energy: 0.6341133646501381 Energy: 0.6390655769687225 Energy: 0.7508575332315816 Energy: 0.6546878208108232 Energy: 0.6341133646501381 Energy: 0.6390655769687225 Energy: 0.7508575332315816 Energy: 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0.6577027739670844 Energy: 0.70168878722627 Energy: 0.6652350560482222 Energy: 0.6620546443604919 Energy: 0.7252682776650347 Energy: 0.6679316988613969 Energy: 0.6652350560457853 Energy: 0.6620546443604919 Energy: 0.7252682776650347 Energy: 0.7108483831568646 Energy: 0.6466126838923 Energy: 0.7302143573695605 Energy: 0.6797835160446319 Energy: 0.7108483831568646 Energy: 0.6466126838923 Energy: 0.7302143573695605 Energy: 0.6618213780396736 Energy: 0.6609328749250452 Energy: 0.7434823057794423 Energy: 0.6809285662690506 Energy: 0.6618213780421105 Energy: 0.6609328749250452 Energy: 0.7434823057794423 Energy: 0.6408490611841913 Energy: 0.6619747059309249 Energy: 0.7390842380254694 Energy: 0.6452848616907408 Energy: 0.6408490611841913 Energy: 0.6619747059333618 Energy: 0.7390842380279065 Energy: 0.6347531958008902 Energy: 0.6745537485357453 Energy: 0.7702420446657124 Energy: 0.6858906124512844 Energy: 0.6347531957984534 Energy: 0.6745537485333084 Energy: 0.7702420446657124 Energy: 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0.6762328198366396 Energy: 0.7340909886665096 Energy: 0.661782206642385 Energy: 0.6547474708498824 Energy: 0.6762328198346782 Energy: 0.734090988664548 minimum gb energy = 0.6276350363402121 eV minimum distance = 2.48641767806363 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 0.6954085811226617 Energy: 0.6955690318046452 Energy: 0.7685640002346611 Energy: 0.7107402614888675 Energy: 0.6954085811223424 Energy: 0.6955690318049647 Energy: 0.7750715482604025 Energy: 0.7170837434330183 Energy: 0.6873060893409992 Energy: 0.7250352548344194 Energy: 0.7040312708607004 Energy: 0.717083743432699 Energy: 0.6873060893406798 Energy: 0.725035254834739 Energy: 0.6779230652762466 Energy: 0.677221659867856 Energy: 0.7541978133441009 Energy: 0.6678733455413929 Energy: 0.677923065275927 Energy: 0.677221659867217 Energy: 0.7425304174813516 Energy: 0.6620809388536905 Energy: 0.6614725679381847 Energy: 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0.7465572243940259 Energy: 0.6865457114447093 Energy: 0.6621849065870397 Energy: 0.7314635460506653 Energy: 0.6998262212820117 Energy: 0.6865457114440705 Energy: 0.6621849065867201 Energy: 0.7314635460503459 Energy: 0.6844408890459288 Energy: 0.6825958244954228 Energy: 0.7111270853768442 Energy: 0.6900703905899995 Energy: 0.6844408890462483 Energy: 0.6825958244951034 Energy: 0.7111270853768442 Energy: 0.6914927909312186 Energy: 0.6800245597823638 Energy: 0.715283900494631 Energy: 0.6712284310200751 Energy: 0.6914927909312186 Energy: 0.6800245597807665 Energy: 0.715283900493992 Energy: 0.6920104815946196 Energy: 0.717066352415379 Energy: 0.7648257815651032 Energy: 0.6991680082797882 Energy: 0.6920104815949392 Energy: 0.7170663524160178 Energy: 0.7648257815654227 Energy: 0.6773716089090175 Energy: 0.6716958718409811 Energy: 0.7048085214570287 Energy: 0.6660543468606184 Energy: 0.677371608909337 Energy: 0.6716958718406616 Energy: 0.7048085214570287 Energy: 0.6926494894490524 Energy: 0.6592844327449844 Energy: 0.735763663134523 Energy: 0.6693558960819949 Energy: 0.6926494894484134 Energy: 0.6592844327449844 Energy: 0.7357636631342036 Energy: 0.6888232257967369 Energy: 0.6949694511529338 Energy: 0.7031612704529953 Energy: 0.7281921245110176 Energy: 0.6888232257951544 Energy: 0.6949694511526144 Energy: 0.7031612704523564 Energy: 0.6770759896601982 Energy: 0.7058489607135733 Energy: 0.7210880584320967 Energy: 0.6588143924037163 Energy: 0.6770759896598789 Energy: 0.7058489607132539 Energy: 0.7210880584327354 Energy: 0.6768932434610566 Energy: 0.6868989127759119 Energy: 0.729361568401318 Energy: 0.6790946518081062 Energy: 0.676893243462015 Energy: 0.6868989127765507 Energy: 0.7293615684022763 Energy: 0.6692619647028135 Energy: 0.6986005246382054 Energy: 0.7225311667799399 Energy: 0.6775623943689136 Energy: 0.6692619647037718 Energy: 0.6986005246382054 Energy: 0.7225311667799399 Energy: 0.687490441303182 Energy: 0.6827340279954055 Energy: 0.760031967188387 Energy: 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0.6627835675418409 Energy: 0.7330491663979538 Energy: 0.6951699949291784 Energy: 0.6786701563562432 Energy: 0.725372859579879 Energy: 0.6800450452511266 Energy: 0.6951699949282201 Energy: 0.6786701563572015 Energy: 0.7253728595792402 Energy: 0.6903053726161605 Energy: 0.6586938058785363 Energy: 0.7055267818795365 Energy: 0.6769963129081099 Energy: 0.69030537261648 Energy: 0.6586938058772587 Energy: 0.7055267818804947 Energy: 0.6725423673665212 Energy: 0.7223183388299409 Energy: 0.7023481824660837 Energy: 0.6942180481529091 Energy: 0.6725423673658826 Energy: 0.7223183388296215 Energy: 0.7023481824660837 Energy: 0.6831072946143345 Energy: 0.6754595658670658 Energy: 0.7512492454056652 Energy: 0.6831049227864053 Energy: 0.6831072946140151 Energy: 0.6754595658661077 Energy: 0.7512492454063041 Energy: 0.6701237594011693 Energy: 0.6787571452122346 Energy: 0.7407052496033654 Energy: 0.6918109295075952 Energy: 0.6701237594011693 Energy: 0.6787571452122346 Energy: 0.740705249603046 Energy: 0.6874524029271045 Energy: 0.7002436451808938 Energy: 0.7361681611130112 Energy: 0.7076027960878372 Energy: 0.6874524029277433 Energy: 0.7002436451805742 Energy: 0.7361681611133306 minimum gb energy = 0.6586938058772587 eV minimum distance = 2.4162669236386 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 0.6884390188443238 Energy: 0.7050525149491892 Energy: 0.6711977377659285 Energy: 0.7069004361934957 Energy: 0.6884390188439469 Energy: 0.7050525149499433 Energy: 0.6953364955361157 Energy: 0.7047298561386068 Energy: 0.6774150840849923 Energy: 0.6810635680566367 Energy: 0.683769512807075 Energy: 0.7047298561404917 Energy: 0.6774150840861233 Energy: 0.6810635680547519 Energy: 0.688317360329814 Energy: 0.6814683574623731 Energy: 0.6903785241046159 Energy: 0.6827025224276251 Energy: 0.6883173603290602 Energy: 0.6814683574612422 Energy: 0.6903785241038619 Energy: 0.690672185463233 Energy: 0.6646563099175676 Energy: 0.7258849393986011 Energy: 0.6825937876624286 Energy: 0.690672185462479 Energy: 0.6646563099175676 Energy: 0.725884939398978 Energy: 0.6909125782906363 Energy: 0.6574745241216989 Energy: 0.6755415103341987 Energy: 0.6828363362194902 Energy: 0.6909125782872435 Energy: 0.6574745241205681 Energy: 0.6755415103349526 Energy: 0.6907332083785384 Energy: 0.6638904319620783 Energy: 0.6487941873716857 Energy: 0.6771852797387836 Energy: 0.6907332083789152 Energy: 0.6638904319598166 Energy: 0.6487941873698009 Energy: 0.7244826198582445 Energy: 0.6577518582219918 Energy: 0.6662562768265718 Energy: 0.6668571252346004 Energy: 0.7244826198578675 Energy: 0.6577518582227457 Energy: 0.6673393621210871 Energy: 0.691241998404096 Energy: 0.681571431812671 Energy: 0.69187251831071 Energy: 0.6815551753657503 Energy: 0.691241998404096 Energy: 0.681571431813048 Energy: 0.6918725183125948 Energy: 0.7245295454289917 Energy: 0.6665415525852345 Energy: 0.6793621156153032 Energy: 0.6575475796303765 Energy: 0.7245295454286146 Energy: 0.6665415525859885 Energy: 0.6785633962616922 Energy: 0.6907197279189936 Energy: 0.6776948720382224 Energy: 0.6487954644667158 Energy: 0.6648857562277457 Energy: 0.6907197279182398 Energy: 0.6776948720389764 Energy: 0.6487954644659619 Energy: 0.690864285137308 Energy: 0.6830610746137644 Energy: 0.7791917687594748 Energy: 0.6573379861316924 Energy: 0.69086428513957 Energy: 0.6830610746137644 Energy: 0.7771431824991133 Energy: 0.6906957748445876 Energy: 0.6823682713438174 Energy: 0.7260106905190262 Energy: 0.6646483076099442 Energy: 0.6906957748438336 Energy: 0.6823682713441943 Energy: 0.7260106905171414 Energy: 0.6883772643566018 Energy: 0.682931450232808 Energy: 0.7178511781520026 Energy: 0.681466704382898 Energy: 0.6883772643573558 Energy: 0.682931450233562 Energy: 0.7477267556394404 Energy: 0.7046762324490675 Energy: 0.6830904564915483 Energy: 0.6822872486154647 Energy: 0.6774280294228688 Energy: 0.7046762324490675 Energy: 0.6830904564907944 Energy: 0.6822872486135799 Energy: 0.6884390188443238 Energy: 0.7050525149488123 Energy: 0.669078081420418 Energy: 0.7069004361950038 Energy: 0.6884390188435697 Energy: 0.7050525149503201 Energy: 0.6550056772834668 Energy: 0.7047298561378529 Energy: 0.6774150840842385 Energy: 0.6810635680555057 Energy: 0.6837695128074519 Energy: 0.7047298561393607 Energy: 0.6774150840861233 Energy: 0.6810635680555057 Energy: 0.688317360329814 Energy: 0.6814683574623731 Energy: 0.6721663884818226 Energy: 0.6827025224280021 Energy: 0.6883173603290602 Energy: 0.6814683574612422 Energy: 0.6721663884821998 Energy: 0.6906721854628559 Energy: 0.6646563099175676 Energy: 0.7258849393986011 Energy: 0.6825937876624286 Energy: 0.690672185462102 Energy: 0.6646563099175676 Energy: 0.7258849393986011 Energy: 0.6909125782898823 Energy: 0.657474524122076 Energy: 0.6560587184791364 Energy: 0.6828363362198672 Energy: 0.6909125782868666 Energy: 0.6574745241213221 Energy: 0.6560587184810214 Energy: 0.6907332083785384 Energy: 0.6638904319624553 Energy: 0.6487941873724399 Energy: 0.6771852797395376 Energy: 0.6907332083785384 Energy: 0.6638904319601934 Energy: 0.6487941873705548 Energy: 0.7244826198582445 Energy: 0.6577518582216149 Energy: 0.6537920823596244 Energy: 0.6668571252334694 Energy: 0.7244826198578675 Energy: 0.6577518582216149 Energy: 0.6537920823588704 Energy: 0.6912419984044728 Energy: 0.6815714318119171 Energy: 0.691872518311087 Energy: 0.6815551753646193 Energy: 0.6912419984044728 Energy: 0.6815714318145558 Energy: 0.6918725183129718 Energy: 0.7245295454297456 Energy: 0.6665415525859885 Energy: 0.6785633962741323 Energy: 0.6575475796303765 Energy: 0.7245295454289917 Energy: 0.6665415525863655 Energy: 0.6785633962624461 Energy: 0.6907197279182398 Energy: 0.6776948720401074 Energy: 0.6487954644667158 Energy: 0.6648857562277457 Energy: 0.6907197279174857 Energy: 0.6776948720397303 Energy: 0.6487954644655849 Energy: 0.690864285137308 Energy: 0.6830610746137644 Energy: 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0.7047298561408687 Energy: 0.6774150840865003 Energy: 0.6810635680543747 minimum gb energy = 0.6487941873698009 eV minimum distance = 2.55696346231539 Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: 0.742762384043829 Energy: 0.7129245092103083 Energy: 0.689170361541403 Energy: 0.7242414783954664 Energy: 0.7427623840433714 Energy: 0.7129245092103083 Energy: 0.689170361541403 Energy: 0.753426483343824 Energy: 0.6954361469539706 Energy: 0.6903765282294717 Energy: 0.7032450286361729 Energy: 0.7534264833433663 Energy: 0.6954361469525977 Energy: 0.6903765282299295 Energy: 0.7161986730267579 Energy: 0.7360545841099794 Energy: 0.7431134879688382 Energy: 0.6785577031175327 Energy: 0.7161986730267579 Energy: 0.7360545841095216 Energy: 0.7631358093001523 Energy: 0.6922961935184163 Energy: 0.6961992904413511 Energy: 0.7313136865578678 Energy: 0.6853325323284487 Energy: 0.6922961935193315 Energy: 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0.722882285100747 Energy: 0.7092852764223503 Energy: 0.679944663852379 Energy: 0.7051857346324425 Energy: 0.7228822851016624 Energy: 0.7092852764218928 Energy: 0.679944663852379 Energy: 0.7370692753677848 Energy: 0.6796459986380919 Energy: 0.7555030687245394 Energy: 0.6629684939298746 Energy: 0.7370692753677848 Energy: 0.6796459986394646 Energy: 0.7184850657687669 Energy: 0.6804530142463318 Energy: 0.6944147108445277 Energy: 0.7236008755739022 Energy: 0.6684131841792361 Energy: 0.6804530142449589 Energy: 0.69441471084407 Energy: 0.7236008755743598 Energy: 0.748459993255648 Energy: 0.7277227470729606 Energy: 0.7158653608981902 Energy: 0.6820816737648904 Energy: 0.7484599932547329 Energy: 0.7277227470725028 Energy: 0.7158653608977327 Energy: 0.7221368704379487 Energy: 0.6996657918090166 Energy: 0.7666774813136044 Energy: 0.6600882765956104 Energy: 0.7221368704379487 Energy: 0.6996657918094742 Energy: 0.7666774813145196 Energy: 0.6558638897198023 Energy: 0.7053011761998246 Energy: 0.7348533313362665 Energy: 0.7103463857390581 Energy: 0.6558638897202598 Energy: 0.7053011762007397 Energy: 0.7348533313371818 Energy: 0.7341603612922412 Energy: 0.7241022134766251 Energy: 0.7015329150322503 Energy: 0.6542659080493323 Energy: 0.7341603612926989 Energy: 0.7241022134761675 Energy: 0.7015329150327079 Energy: 0.7173242127584388 Energy: 0.6749417212849101 Energy: 0.7563152755502967 Energy: 0.7109418208888755 Energy: 0.7173242127593542 Energy: 0.6749417212849101 Energy: 0.7563152755516694 Energy: 0.7114236410282465 Energy: 0.7174947886643125 Energy: 0.702011662643633 Energy: 0.6596583780503784 Energy: 0.7114236410291619 Energy: 0.7174947886647701 Energy: 0.7020116626440905 Energy: 0.7042900319832205 Energy: 0.6772148436198477 Energy: 0.6937120069603973 Energy: 0.6786952205945147 Energy: 0.7042900319832205 Energy: 0.6772148436203054 Energy: 0.693712006959482 Energy: 0.6900291906416386 Energy: 0.715140520921464 Energy: 0.692891623685796 Energy: 0.709388751297015 Energy: 0.690029190641181 Energy: 0.7151405209219216 Energy: 0.6928916236867113 Energy: 0.7062032349261614 Energy: 0.6724461149273527 Energy: 0.762518308719754 Energy: 0.6680557080548833 Energy: 0.7062032349266192 Energy: 0.6724461149264374 Energy: 0.7625183087206693 Energy: 0.7121416719082734 Energy: 0.6578771233143571 Energy: 0.7008172361238556 Energy: 0.7184363335693199 Energy: 0.7121416719082734 Energy: 0.6578771233134418 Energy: 0.7008172361243131 Energy: 0.6665839157005716 Energy: 0.6726657955298943 Energy: 0.6821219255483478 Energy: 0.6860521394286639 Energy: 0.6665839157014869 Energy: 0.672665795528979 Energy: 0.6821219255492632 Energy: 0.7121466238660146 Energy: 0.6359702659481619 Energy: 0.7009435673611017 Energy: 0.7191259630110604 Energy: 0.7121466238660146 Energy: 0.6359702659486196 Energy: 0.7009435673611017 Energy: 0.775856362934972 Energy: 0.6732472065787043 Energy: 0.7403155497009115 Energy: 0.747642848080237 Energy: 0.7758563629345142 Energy: 0.6732472065787043 Energy: 0.7403155496995387 minimum gb energy = 0.6359702659481619 eV minimum distance = 2.48475306707985 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 0.7362009660467026 Energy: 0.7211527147726984 Energy: 0.717089823354735 Energy: 0.7211930552922625 Energy: 0.7362009660494887 Energy: 0.7211527147734877 Energy: 0.7170898233575677 Energy: 0.7610183049276561 Energy: 0.6685171848346103 Energy: 0.6870503524729197 Energy: 0.6683659453503634 Energy: 0.7610183049304422 Energy: 0.6685171848371644 Energy: 0.6870503524680437 Energy: 0.7368109910199653 Energy: 0.672899934806604 Energy: 0.6952054213976423 Energy: 0.6800167952447154 Energy: 0.7368109910191759 Energy: 0.6728999348058146 Energy: 0.6952054213943453 Energy: 0.7147222603179015 Energy: 0.6686478722536878 Energy: 0.6972494876900982 Energy: 0.6914339266927841 Energy: 0.7147222603191554 Energy: 0.6686478722557312 Energy: 0.6972494876921413 Energy: 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0.7400940434300745 Energy: 0.6478201461895264 Energy: 0.6348088626839085 Energy: 0.7151153159370444 Energy: 0.7081602160822943 Energy: 0.6478201461915697 Energy: 0.6348088626839085 Energy: 0.7151153159370444 Energy: 0.6497113747527864 Energy: 0.6714211106671695 Energy: 0.6938123194641602 Energy: 0.6470498722117947 Energy: 0.6497113747519968 Energy: 0.6714211106691662 Energy: 0.6938123194649033 Energy: 0.688891754883168 Energy: 0.6296889926366678 Energy: 0.7264007259659564 Energy: 0.6899214418700268 Energy: 0.6888917548841896 Energy: 0.6296889926338353 Energy: 0.726400725966235 Energy: 0.7261711950692444 Energy: 0.6797284172343532 Energy: 0.6634272289606832 Energy: 0.6672300586401874 Energy: 0.7261711950666905 Energy: 0.6797284172371393 Energy: 0.6634272289591507 Energy: 0.7241324418277607 Energy: 0.6664350529764049 Energy: 0.714438977045378 Energy: 0.717103504616341 Energy: 0.7241324418270177 Energy: 0.6664350529751512 Energy: 0.7080713762312185 Energy: 0.7078676837396719 Energy: 0.690348292877656 Energy: 0.7179628647825804 Energy: 0.6954102837421603 Energy: 0.7078676837393932 Energy: 0.6903482928786774 Energy: 0.7179628647869454 Energy: 0.7125069721877958 Energy: 0.6729746225986865 Energy: 0.6772583410857833 Energy: 0.7204837248258953 Energy: 0.712506972184731 Energy: 0.6729746226002188 Energy: 0.677258341087037 Energy: 0.6923463109469032 Energy: 0.7383749449643507 Energy: 0.7324443007963158 Energy: 0.7290571930188638 Energy: 0.6923463109463924 Energy: 0.738374944966626 Energy: 0.732444300793251 Energy: 0.7130392924492155 Energy: 0.6734752809088939 Energy: 0.7155425466396301 Energy: 0.7184648274691696 Energy: 0.7130392924489833 Energy: 0.6734752809091726 Energy: 0.7155425466383764 Energy: 0.7368766547302611 Energy: 0.7065417452629428 Energy: 0.7369137707964606 Energy: 0.6874148475301672 Energy: 0.7368766547257102 Energy: 0.7065417452588565 Energy: 0.7369137707998041 Energy: 0.6870583886835611 Energy: 0.6732024987836909 Energy: 0.7508824142936368 Energy: 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0.6274962694934949 Energy: 0.7067892786860583 Energy: 0.6651241248633794 Energy: 0.6203384427350109 Energy: 0.659019191560416 Energy: 0.6736590910325712 Energy: 0.6651241248679766 Energy: 0.6203384427418835 Energy: 0.6590191915591159 Energy: 0.6701996289469302 Energy: 0.6837232137268154 Energy: 0.7058338659848574 Energy: 0.640858896238266 Energy: 0.6701996289507383 Energy: 0.6837232137265369 Energy: 0.7058338659874114 Energy: 0.6653611301411266 Energy: 0.6564735315857704 Energy: 0.7434487650844357 Energy: 0.6758643489127218 Energy: 0.6653611301388513 Energy: 0.6564735315847486 Energy: 0.7434487650887543 Energy: 0.6700149144313092 Energy: 0.7116200947060243 Energy: 0.6982517254163612 Energy: 0.6659024103791604 Energy: 0.6700149144289874 Energy: 0.7116200947103429 Energy: 0.6982517254186366 Energy: 0.6869119811660622 Energy: 0.6465380548510915 Energy: 0.7489345610702176 Energy: 0.6668102993345703 Energy: 0.6869119811678268 Energy: 0.6465380548449619 Energy: 0.7489345610730039 Energy: 0.6713745190346209 Energy: 0.6824862101934316 Energy: 0.7660296751926615 Energy: 0.6807515762213644 Energy: 0.67137451903411 Energy: 0.6824862101942212 Energy: 0.7660296751941937 Energy: 0.6763193927775163 Energy: 0.6463833101000718 Energy: 0.7317141747017529 Energy: 0.6670065637444844 Energy: 0.6763193927775163 Energy: 0.6463833101010934 Energy: 0.7317141746994313 Energy: 0.7033588440495935 Energy: 0.6835998289137735 Energy: 0.7361856746531029 Energy: 0.6612099887291957 Energy: 0.703358844048804 Energy: 0.6835998289147952 Energy: 0.7361856746553783 Energy: 0.7179084243172968 Energy: 0.6566944137189031 Energy: 0.7329838919275116 Energy: 0.6881891208640428 Energy: 0.7179084243216155 Energy: 0.6566944137191353 Energy: 0.7329838919283009 minimum gb energy = 0.6203384427350109 eV minimum distance = 2.48128034256556 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 0.7334486060088196 Energy: 0.4735736062997932 Energy: 0.7367983698511369 Energy: 0.4735736062997932 Energy: 0.7334486060076679 Energy: 0.4735736062997932 Energy: 0.6484640113884141 Energy: 0.7334486060088196 Energy: 0.4735736062992173 Energy: 0.5888463854432757 Energy: 0.4735736062997932 Energy: 0.7334486060076679 Energy: 0.4735736063009449 Energy: 0.5888463854415482 Energy: 0.7334486060088196 Energy: 0.4735736063009449 Energy: 0.6180373106729542 Energy: 0.47357360630036904 Energy: 0.7334486060082437 Energy: 0.4735736062997932 Energy: 0.5889049720503166 Energy: 0.7334486060082437 Energy: 0.4735736062997932 Energy: 0.6808506793008223 Energy: 0.4735736062997932 Energy: 0.7334486060082437 Energy: 0.4735736062997932 Energy: 0.6497256747646395 Energy: 0.7334486060088196 Energy: 0.4735736062992173 Energy: 0.5889049720537715 Energy: 0.4735736062997932 Energy: 0.7334486060082437 Energy: 0.47357360630036904 Energy: 0.5889049720531957 Energy: 0.7334486060076679 Energy: 0.4735736063009449 Energy: 0.6471840598571721 Energy: 0.4735736063009449 Energy: 0.7334486060082437 Energy: 0.4735736062997932 Energy: 0.588849881048824 Energy: 0.7334486060076679 Energy: 0.4735736062997932 Energy: 0.7325408310461441 Energy: 0.4735736062997932 Energy: 0.7334486060076679 Energy: 0.4735736062997932 Energy: 0.6180373106637408 Energy: 0.7334486060082437 Energy: 0.4735736062992173 Energy: 0.5888498810453687 Energy: 0.4735736062997932 Energy: 0.7334486060076679 Energy: 0.4735736063009449 Energy: 0.588849881041338 Energy: 0.7334486060082437 Energy: 0.47357360630036904 Energy: 0.5889049720514683 Energy: 0.4735736063009449 Energy: 0.7334486060082437 Energy: 0.4735736062997932 Energy: 0.5889049720508924 Energy: 0.7334486060076679 Energy: 0.4735736062997932 Energy: 0.6342769524214319 Energy: 0.4735736062997932 Energy: 0.7334486060076679 Energy: 0.4735736062997932 Energy: 0.6209948886619966 Energy: 0.7334486060088196 Energy: 0.4735736062992173 Energy: 0.5888463854392448 Energy: 0.4735736062997932 Energy: 0.7334486060076679 Energy: 0.4735736063009449 Energy: 0.6209948886608451 Energy: 0.7334486060082437 Energy: 0.4735736063009449 Energy: 0.5888463854392448 Energy: 0.4735736063009449 Energy: 0.7334486060082437 Energy: 0.4735736062997932 Energy: 0.5888463854403965 Energy: 0.7334486060082437 Energy: 0.4735736062997932 Energy: 0.5888463854398207 Energy: 0.4735736062997932 Energy: 0.7334486060076679 Energy: 0.4735736062997932 Energy: 0.5888463854398207 Energy: 0.7334486060088196 Energy: 0.4735736062992173 Energy: 0.5888463854409722 Energy: 0.4735736062997932 Energy: 0.7334486060076679 Energy: 0.4735736063009449 Energy: 0.5888463854409722 Energy: 0.7334486060088196 Energy: 0.4735736063009449 Energy: 0.5888463854392448 Energy: 0.4735736063009449 Energy: 0.7334486060082437 Energy: 0.4735736062997932 Energy: 0.5888463854392448 Energy: 0.7334486060082437 Energy: 0.4735736062997932 Energy: 0.5888463854398207 Energy: 0.4735736062997932 Energy: 0.7334486060076679 Energy: 0.47357360630036904 Energy: 0.5888463854392448 Energy: 0.7334486060082437 Energy: 0.4735736062997932 Energy: 0.588846385438669 Energy: 0.4735736062997932 Energy: 0.7334486060076679 Energy: 0.4735736063009449 Energy: 0.5888463854392448 Energy: 0.7334486060082437 Energy: 0.4735736063009449 Energy: 0.5888463854398207 Energy: 0.4735736063009449 Energy: 0.7334486060082437 Energy: 0.4735736062997932 Energy: 0.588846385438669 Energy: 0.733448606007092 Energy: 0.4735736062997932 Energy: 0.5888463854392448 Energy: 0.4735736062997932 Energy: 0.7334486060082437 Energy: 0.4735736062997932 Energy: 0.5888463854380931 Energy: 0.7334486060088196 Energy: 0.4735736062992173 Energy: 0.588846385438669 Energy: 0.4735736062997932 Energy: 0.7334486060082437 Energy: 0.4735736063009449 Energy: 0.5888463854392448 minimum gb energy = 0.4735736062992173 eV minimum distance = 2.61235727582979 Angstroms sigma value = 23