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=Al Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.051526293158533 cohesive_energy=3.3624417440272794 mass=26.981538 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=180.0 Max. denominator: max_denominator=8 Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5 Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: -9.23201098901316e-12 eV ======================================== theta = 0.0 ======================================== Energy: 0.010363517778528704 Energy: 0.5815015953529379 Energy: 0.010363517778528704 Energy: 0.5815015953529379 Energy: 0.010363517778528704 Energy: 0.5815015953529379 Energy: 0.5815015953529379 Energy: 0.011164306852231546 Energy: 0.5815015953529379 Energy: 0.011164306852009616 Energy: 0.5815015953529379 Energy: 0.011164306851260606 Energy: 0.010363517778528704 Energy: 0.5815015953529379 Energy: 0.010363517778528704 Energy: 0.5815015953529379 Energy: 0.010363517778528704 Energy: 0.5815015953531875 Energy: 0.5815015953529379 Energy: 0.011164306849568397 Energy: 0.5815015953531875 Energy: 0.011164306851260606 Energy: 0.5815015953529379 Energy: 0.011164306853951497 Energy: 0.010363517778528704 Energy: 0.5815015953529379 Energy: 0.010363517778528704 Energy: 0.5815015953529379 Energy: 0.010363517778528704 Energy: 0.5815015953531875 Energy: 0.5815015953531875 Energy: 0.011164306852980555 Energy: 0.5815015953529379 Energy: 0.011164306852730885 Energy: 0.5815015953531875 Energy: 0.011164306851759946 minimum gb energy = 0.010363517778528704 eV minimum distance = 2.86080390213413 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 0.8113307414182536 Energy: 0.8005122860961434 Energy: 0.8113307414188548 Energy: 0.8005122860967444 Energy: 0.8113307414188548 Energy: 0.8005122860967444 Energy: 0.8729903822280102 Energy: 0.7412347220286356 Energy: 0.8729903822286113 Energy: 0.7412347220286356 Energy: 0.8729903822280102 Energy: 0.7412347220286356 Energy: 0.7713413122048233 Energy: 0.8202009043096198 Energy: 0.7713413122048233 Energy: 0.8202009043102207 Energy: 0.7713413122054241 Energy: 0.8202009043096198 Energy: 0.8103965721568201 Energy: 0.7666679429676019 Energy: 0.8103965721568201 Energy: 0.7666679429676019 Energy: 0.8103965721556181 Energy: 0.7666679429676019 Energy: 0.786572432028475 Energy: 0.8233745349639819 Energy: 0.7865724320296771 Energy: 0.823374534963381 Energy: 0.786572432028475 Energy: 0.823374534963381 Energy: 0.830120059902722 Energy: 0.7427605498086429 Energy: 0.830120059902722 Energy: 0.7427605498086429 Energy: 0.830120059902722 Energy: 0.7427605498086429 Energy: 0.7607383955173518 Energy: 0.798712717832095 Energy: 0.7607383955179527 Energy: 0.798712717832095 Energy: 0.7607383955173518 Energy: 0.798712717832095 Energy: 0.7652111708020394 Energy: 0.8539270234121178 Energy: 0.7652111708020394 Energy: 0.8539270234127188 Energy: 0.7652111708020394 Energy: 0.8539270234109158 Energy: 0.8365773639223981 Energy: 0.8045487875349575 Energy: 0.8365773639223981 Energy: 0.8045487875349575 Energy: 0.8365773639223981 Energy: 0.8045487875349575 Energy: 0.7261750152980581 Energy: 0.8427746865697223 Energy: 0.7261750152986591 Energy: 0.8427746865721263 Energy: 0.7261750152980581 Energy: 0.8427746865703234 Energy: 0.8319420985800587 Energy: 0.7423196800289958 Energy: 0.8319420985800587 Energy: 0.7423196800289958 Energy: 0.8319420985800587 Energy: 0.7423196800289958 Energy: 0.7208330500172917 Energy: 0.8678649915304248 Energy: 0.7208330500172917 Energy: 0.8678649915304248 Energy: 0.7208330500166907 Energy: 0.8678649915304248 Energy: 0.8820445009797623 Energy: 0.7167002624373146 Energy: 0.8820445009797623 Energy: 0.7167002624373146 Energy: 0.8820445009797623 Energy: 0.7167002624379156 Energy: 0.751641296653728 Energy: 0.7966871253317942 Energy: 0.751641296653728 Energy: 0.7966871253323949 Energy: 0.751641296653728 Energy: 0.7966871253323949 Energy: 0.9130114718547917 Energy: 0.7330662766931183 Energy: 0.9130114718541906 Energy: 0.7330662766931183 Energy: 0.9130114718547917 Energy: 0.7330662766931183 Energy: 0.8950036441293612 Energy: 0.819138052630449 Energy: 0.8950036441299623 Energy: 0.819138052630449 Energy: 0.8950036441299623 Energy: 0.819138052630449 Energy: 0.7943418384440302 Energy: 0.7944252040636608 Energy: 0.7943418384440302 Energy: 0.7944252040636608 Energy: 0.7943418384446311 Energy: 0.7944252040636608 Energy: 0.7945408204058259 Energy: 0.7687471374558923 Energy: 0.7945408204070278 Energy: 0.7687471374564934 Energy: 0.7945408204070278 Energy: 0.7687471374570942 Energy: 0.766251742746039 Energy: 0.7654202216505698 Energy: 0.766251742746039 Energy: 0.7654202216511707 Energy: 0.766251742746039 Energy: 0.7654202216511707 Energy: 0.8143435755830662 Energy: 0.742686159018208 Energy: 0.8143435755830662 Energy: 0.742686159018208 Energy: 0.8143435755836672 Energy: 0.742686159018208 Energy: 0.7433466603019987 Energy: 0.8723711176951463 Energy: 0.7433466603025998 Energy: 0.8723711176945453 Energy: 0.7433466603019987 Energy: 0.8723711176945453 Energy: 0.8354506700239647 Energy: 0.7997691447416203 Energy: 0.8354506700239647 Energy: 0.7997691447416203 Energy: 0.8354506700239647 Energy: 0.7997691447416203 Energy: 0.7324888136758884 Energy: 0.8724229163232551 Energy: 0.7324888136752873 Energy: 0.8724229163232551 Energy: 0.7324888136752873 Energy: 0.8724229163232551 minimum gb energy = 0.7167002624373146 eV minimum distance = 2.65470084063709 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 0.8903865885742619 Energy: 0.8385684315410942 Energy: 0.8903865885742619 Energy: 0.8385684315410942 Energy: 0.8903865885746036 Energy: 0.8385684315410942 Energy: 0.866732558902693 Energy: 0.7627242588128952 Energy: 0.8667325589023512 Energy: 0.7627242588128952 Energy: 0.866732558902693 Energy: 0.7627242588128952 Energy: 0.7419325232533246 Energy: 0.7666031751699307 Energy: 0.7419325232536664 Energy: 0.7666031751709563 Energy: 0.7419325232536664 Energy: 0.7666031751706144 Energy: 0.8240085941401766 Energy: 0.823200881131791 Energy: 0.8240085941398347 Energy: 0.8232008811290562 Energy: 0.8240085941398347 Energy: 0.8232008811304237 Energy: 0.7892173996528735 Energy: 0.7977036333900743 Energy: 0.7892173996528735 Energy: 0.7977036333897324 Energy: 0.7892173996532154 Energy: 0.7977036333890487 Energy: 0.7423929433876953 Energy: 0.7415560114941823 Energy: 0.7423929433873536 Energy: 0.7415560114941823 Energy: 0.7423929433876953 Energy: 0.7415560114941823 Energy: 0.8435729698745252 Energy: 0.8489286138131256 Energy: 0.8435729698752088 Energy: 0.8489286138127836 Energy: 0.8435729698748671 Energy: 0.8489286138131256 Energy: 0.7186456910869305 Energy: 0.8932065855324666 Energy: 0.7186456910872724 Energy: 0.8932065855321248 Energy: 0.7186456910869305 Energy: 0.8932065855321248 Energy: 0.7551500008956832 Energy: 0.743898574231034 Energy: 0.7551500008967087 Energy: 0.743898574231034 Energy: 0.7551500008956832 Energy: 0.743898574231034 Energy: 0.7355785651388121 Energy: 0.8594760472804267 Energy: 0.7355785651377866 Energy: 0.8594760472804267 Energy: 0.7355785651388121 Energy: 0.8594760472804267 Energy: 0.8818736121544674 Energy: 0.7388520322744738 Energy: 0.881873612155151 Energy: 0.7388520322744738 Energy: 0.8818736121554928 Energy: 0.7388520322744738 Energy: 0.7419365953728426 Energy: 0.7402534111265673 Energy: 0.7419365953731843 Energy: 0.7402534111251999 Energy: 0.7419365953731843 Energy: 0.7402534111248581 Energy: 0.8046347026538404 Energy: 0.7198184209181249 Energy: 0.8046347026558915 Energy: 0.7198184209181249 Energy: 0.804634702652815 Energy: 0.7198184209181249 Energy: 0.8112679477526898 Energy: 0.8326376888469018 Energy: 0.8112679477526898 Energy: 0.8326376888469018 Energy: 0.8112679477523479 Energy: 0.8326376888472437 Energy: 0.803801336385802 Energy: 0.7663304189087733 Energy: 0.8038013363847765 Energy: 0.7663304189087733 Energy: 0.8038013363840928 Energy: 0.7663304189087733 Energy: 0.741550483160958 Energy: 0.7608491504969258 Energy: 0.7415504831606161 Energy: 0.7608491504979514 Energy: 0.7415504831612998 Energy: 0.760849150496584 Energy: 0.8256154612028244 Energy: 0.8234693212669882 Energy: 0.8256154612031663 Energy: 0.8234693212673301 Energy: 0.8256154612031663 Energy: 0.8234693212669882 Energy: 0.7891169456371729 Energy: 0.7421346657417079 Energy: 0.7891169456368311 Energy: 0.7421346657420497 Energy: 0.7891169456371729 Energy: 0.7421346657417079 Energy: 0.7418037959397287 Energy: 0.7556864471820475 Energy: 0.7418037959404123 Energy: 0.7556864471820475 Energy: 0.7418037959397287 Energy: 0.7556864471817055 Energy: 0.8392181524913603 Energy: 0.8494645438465613 Energy: 0.8392181524913603 Energy: 0.8494645438465613 Energy: 0.8392181524913603 Energy: 0.8494645438465613 Energy: 0.7187623360763766 Energy: 0.8706991853390029 Energy: 0.7187623360770605 Energy: 0.8706991853390029 Energy: 0.7187623360767186 Energy: 0.8706991853393449 Energy: 0.7636958114899588 Energy: 0.7444709703116973 Energy: 0.7636958114892752 Energy: 0.7444709703116973 Energy: 0.7636958114909844 Energy: 0.7444709703116973 Energy: 0.7361079565385072 Energy: 0.8584813302332609 Energy: 0.7361079565385072 Energy: 0.8584813302332609 Energy: 0.7361079565391908 Energy: 0.8584813302325773 Energy: 0.8801919516893216 Energy: 0.7893192521135823 Energy: 0.8801919516889798 Energy: 0.7893192521139241 Energy: 0.8801919516893216 Energy: 0.789319252114266 Energy: 0.7418476215064786 Energy: 0.740375951845183 Energy: 0.7418476215068205 Energy: 0.7403759518455247 Energy: 0.7418476215071624 Energy: 0.740375951845183 Energy: 0.8925910198806954 Energy: 0.8228063071359146 Energy: 0.8925910198806954 Energy: 0.8228063071359146 Energy: 0.8925910198806954 Energy: 0.8228063071359146 Energy: 0.8935939642690127 Energy: 0.8255444629245601 Energy: 0.893593964268329 Energy: 0.8255444629242181 Energy: 0.893593964268329 Energy: 0.8255444629242181 Energy: 0.7420311794533728 Energy: 0.7577731192040661 Energy: 0.7420311794516636 Energy: 0.7577731192040661 Energy: 0.742031179453031 Energy: 0.7577731192040661 Energy: 0.8582156655502923 Energy: 0.761727142970862 Energy: 0.8582156655496088 Energy: 0.7617271429705202 Energy: 0.8582156655499505 Energy: 0.761727142970862 Energy: 0.7359444649375375 Energy: 0.8854095792716771 Energy: 0.7359444649371958 Energy: 0.8854095792716771 Energy: 0.7359444649375375 Energy: 0.8854095792716771 Energy: 0.7896103179515307 Energy: 0.7438885273353754 Energy: 0.7896103179532399 Energy: 0.7438885273353754 Energy: 0.7896103179525563 Energy: 0.7438885273353754 Energy: 0.7208213171260827 Energy: 0.8572128595896026 Energy: 0.720821317125399 Energy: 0.8572128595875516 Energy: 0.7208213171260827 Energy: 0.8572128595882351 Energy: 0.8409016963583876 Energy: 0.8495774455611861 Energy: 0.8409016963587295 Energy: 0.8495774455615278 Energy: 0.8409016963587295 Energy: 0.8495774455615278 Energy: 0.7664360387507052 Energy: 0.8039433721716327 Energy: 0.7664360387507052 Energy: 0.8039433721726582 Energy: 0.7664360387507052 Energy: 0.803943372170949 Energy: 0.7665082806647361 Energy: 0.7417153322122831 Energy: 0.7665082806643944 Energy: 0.7417153322122831 Energy: 0.766508280665078 Energy: 0.7417153322122831 Energy: 0.825913986704707 Energy: 0.8229042301181486 Energy: 0.8259139867050487 Energy: 0.8229042301178069 Energy: 0.825913986704707 Energy: 0.8229042301178069 Energy: 0.7416653344209724 Energy: 0.7887872954824311 Energy: 0.7416653344209724 Energy: 0.7887872954824311 Energy: 0.741665334421656 Energy: 0.7887872954820894 Energy: 0.7413913319518955 Energy: 0.7432860811142373 Energy: 0.7413913319532629 Energy: 0.7432860811142373 Energy: 0.7413913319518955 Energy: 0.7432860811142373 Energy: 0.810947791654041 Energy: 0.8377598538787783 Energy: 0.8109477916543829 Energy: 0.8377598538787783 Energy: 0.8109477916547247 Energy: 0.8377598538784364 Energy: 0.9009014922221747 Energy: 0.7199718844783491 Energy: 0.9009014922225166 Energy: 0.7199718844783491 Energy: 0.9009014922221747 Energy: 0.7199718844783491 Energy: 0.7420820669271421 Energy: 0.7538546853738913 Energy: 0.7420820669268001 Energy: 0.7538546853732077 Energy: 0.7420820669268001 Energy: 0.7538546853732077 minimum gb energy = 0.7186456910869305 eV minimum distance = 2.72458470449881 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 0.7934132303538339 Energy: 0.8117020432620161 Energy: 0.7934132303538339 Energy: 0.8117020432620161 Energy: 0.7934132303538339 Energy: 0.8117020432620161 Energy: 0.860039514318255 Energy: 0.7729722939153802 Energy: 0.860039514318255 Energy: 0.7729722939153802 Energy: 0.860039514318255 Energy: 0.7729722939161722 Energy: 0.7460293009010303 Energy: 0.8045467286514384 Energy: 0.7460293009018224 Energy: 0.8045467286490622 Energy: 0.7460293009018224 Energy: 0.8045467286482701 Energy: 0.7971796884638248 Energy: 0.7218340683540516 Energy: 0.7971796884646168 Energy: 0.7218340683540516 Energy: 0.7971796884638248 Energy: 0.7218340683540516 Energy: 0.8134912232225144 Energy: 0.7722295579778904 Energy: 0.8134912232225144 Energy: 0.7722295579763062 Energy: 0.8134912232225144 Energy: 0.7722295579778904 Energy: 0.8132666322651512 Energy: 0.7726885669015626 Energy: 0.8132666322643592 Energy: 0.7726885669015626 Energy: 0.8132666322651512 Energy: 0.7726885669015626 Energy: 0.7851108115629707 Energy: 0.7720339036162046 Energy: 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0.7734902175255209 Energy: 0.8576540977660676 Energy: 0.7734902175255209 Energy: 0.7712126548916989 Energy: 0.7554829793955056 Energy: 0.7712126548909067 Energy: 0.7554829793955056 Energy: 0.7712126548901148 Energy: 0.7554829793962976 Energy: 0.7972320200515135 Energy: 0.7949352235080389 Energy: 0.7972320200515135 Energy: 0.794935223508831 Energy: 0.7972320200515135 Energy: 0.794935223508831 Energy: 0.8137614723383331 Energy: 0.7725769804176036 Energy: 0.8137614723383331 Energy: 0.7725769804176036 Energy: 0.8137614723383331 Energy: 0.7725769804176036 Energy: 0.8135975009728713 Energy: 0.8316436697130829 Energy: 0.8135975009728713 Energy: 0.8316436697075387 Energy: 0.8135975009728713 Energy: 0.8316436697122908 Energy: 0.8063528983784146 Energy: 0.7753602820491761 Energy: 0.8063528983784146 Energy: 0.7753602820491761 Energy: 0.8063528983784146 Energy: 0.7753602820491761 minimum gb energy = 0.7217779987627024 eV minimum distance = 2.62631566913534 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 0.664531338613528 Energy: 0.708097245104848 Energy: 0.6645313386130581 Energy: 0.708097245104848 Energy: 0.664531338613528 Energy: 0.708097245104848 Energy: 0.760294642602961 Energy: 0.8093314633250209 Energy: 0.7602946426039006 Energy: 0.8093314633250209 Energy: 0.760294642602961 Energy: 0.8093314633250209 Energy: 0.6644906233002571 Energy: 0.801912679413325 Energy: 0.6644906233002571 Energy: 0.801912679413325 Energy: 0.6644906233002571 Energy: 0.8019126794128552 Energy: 0.6997001801485087 Energy: 0.6646058842091184 Energy: 0.6997001801494483 Energy: 0.6646058842091184 Energy: 0.6997001801480388 Energy: 0.6646058842086486 Energy: 0.6640088499408277 Energy: 0.6633772668731166 Energy: 0.6640088499384785 Energy: 0.6633772668735862 Energy: 0.6640088499408277 Energy: 0.6633772668731166 Energy: 0.664013167418858 Energy: 0.6634041362359004 Energy: 0.6640131674193276 Energy: 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0.6644906233002571 Energy: 0.801912679413325 Energy: 0.6997001801461596 Energy: 0.6646058842091184 Energy: 0.6997001801508579 Energy: 0.6646058842091184 Energy: 0.6997001801475691 Energy: 0.6646058842091184 Energy: 0.6640088499408277 Energy: 0.6633772668735862 Energy: 0.6640088499408277 Energy: 0.6633772668735862 Energy: 0.6640088499412974 Energy: 0.6633772668735862 Energy: 0.6640131674193276 Energy: 0.6634041362359004 Energy: 0.6640131674197974 Energy: 0.6634041362359004 Energy: 0.664013167418858 Energy: 0.6634041362363703 Energy: 0.6997116195841098 Energy: 0.6646278007708397 Energy: 0.6997116195841098 Energy: 0.6646278007708397 Energy: 0.6997116195836401 Energy: 0.6646278007708397 Energy: 0.6644848665839833 Energy: 0.8016612486061865 Energy: 0.6644848665839833 Energy: 0.8016612486052468 Energy: 0.6644848665844532 Energy: 0.801661248604777 Energy: 0.7605615855946077 Energy: 0.8093176624581461 Energy: 0.7605615855946077 Energy: 0.8093176624581461 Energy: 0.7605615855950776 Energy: 0.8093176624581461 Energy: 0.6645313386130581 Energy: 0.708097245104848 Energy: 0.6645313386130581 Energy: 0.7080972451053178 Energy: 0.6645313386130581 Energy: 0.7080972451053178 Energy: 0.760294642602961 Energy: 0.8093314633250209 Energy: 0.7602946426015516 Energy: 0.8093314633254907 Energy: 0.7602946426020213 Energy: 0.8093314633254907 Energy: 0.6644906233002571 Energy: 0.801912679413325 Energy: 0.6644906232997873 Energy: 0.801912679413325 Energy: 0.6644906232997873 Energy: 0.8019126794128552 Energy: 0.6997001801466294 Energy: 0.6646058842086486 Energy: 0.6997001801494483 Energy: 0.6646058842091184 Energy: 0.6997001801480388 Energy: 0.6646058842091184 Energy: 0.6640088499412974 Energy: 0.6633772668731166 Energy: 0.6640088499389484 Energy: 0.6633772668731166 Energy: 0.6640088499412974 Energy: 0.6633772668731166 Energy: 0.664013167418858 Energy: 0.6634041362359004 Energy: 0.6640131674202673 Energy: 0.6634041362359004 Energy: 0.6640131674221466 Energy: 0.6634041362363703 Energy: 0.6997116195831703 Energy: 0.6646278007708397 Energy: 0.6997116195822306 Energy: 0.6646278007708397 Energy: 0.6997116195822306 Energy: 0.6646278007708397 Energy: 0.6644848665844532 Energy: 0.8016612486061865 Energy: 0.6644848665839833 Energy: 0.8016612486057166 Energy: 0.6644848665839833 Energy: 0.8016612486057166 Energy: 0.760561585594138 Energy: 0.8093176624581461 Energy: 0.7605615855927286 Energy: 0.8093176624581461 Energy: 0.760561585594138 Energy: 0.8093176624581461 Energy: 0.6645313386130581 Energy: 0.7080972451053178 Energy: 0.6645313386130581 Energy: 0.7080972451053178 Energy: 0.6645313386130581 Energy: 0.7080972451053178 Energy: 0.7602946426020213 Energy: 0.8093314633250209 Energy: 0.7602946426020213 Energy: 0.8093314633254907 Energy: 0.7602946426024911 Energy: 0.8093314633254907 Energy: 0.6644906233002571 Energy: 0.801912679413325 Energy: 0.6644906232997873 Energy: 0.801912679413325 Energy: 0.6644906233002571 Energy: 0.8019126794128552 minimum gb energy = 0.6633772668731166 eV minimum distance = 2.66055560911671 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 0.6579892681010092 Energy: 0.644712094781636 Energy: 0.6579892681010092 Energy: 0.644712094781636 Energy: 0.6579892681010092 Energy: 0.644712094781636 Energy: 0.8990677481023941 Energy: 0.6661254346503659 Energy: 0.8990677481023941 Energy: 0.666125434649215 Energy: 0.8990677481023941 Energy: 0.666125434649215 Energy: 0.6843599042137677 Energy: 0.7518373869961494 Energy: 0.6843599042160693 Energy: 0.7518373869961494 Energy: 0.6843599042172201 Energy: 0.7518373869961494 Energy: 0.7510461939880572 Energy: 0.6233945406514896 Energy: 0.7510461939869064 Energy: 0.6233945406503387 Energy: 0.7510461939857557 Energy: 0.6233945406503387 Energy: 0.7995703962460188 Energy: 0.6234331685953819 Energy: 0.7995703962471695 Energy: 0.6234331685965326 Energy: 0.7995703962460188 Energy: 0.6234331685965326 Energy: 0.7638810492584877 Energy: 0.7875908884678103 Energy: 0.7638810492596384 Energy: 0.7875908884666594 Energy: 0.7638810492607891 Energy: 0.7875908884666594 Energy: 0.6237424685270678 Energy: 0.6668182275158449 Energy: 0.6237424685270678 Energy: 0.6668182275158449 Energy: 0.6237424685270678 Energy: 0.6668182275158449 Energy: 0.6569715032326756 Energy: 0.6452745465849857 Energy: 0.6569715032326756 Energy: 0.6452745465849857 Energy: 0.6569715032326756 Energy: 0.6452745465849857 Energy: 0.709100715920403 Energy: 0.6843671154779998 Energy: 0.709100715920403 Energy: 0.6843671154641903 Energy: 0.7091007159192522 Energy: 0.6843671154503806 Energy: 0.7459966058066937 Energy: 0.7493589276076836 Energy: 0.7459966058066937 Energy: 0.7493589276065328 Energy: 0.7459966058066937 Energy: 0.7493589276065328 Energy: 0.6454299488503795 Energy: 0.6231076765367517 Energy: 0.6454299488492287 Energy: 0.6231076765367517 Energy: 0.6454299488503795 Energy: 0.6231076765367517 Energy: 0.798418603941095 Energy: 0.7091734621301788 Energy: 0.798418603941095 Energy: 0.7091734621301788 Energy: 0.798418603941095 Energy: 0.7091734621290279 minimum gb energy = 0.6231076765367517 eV minimum distance = 2.61462704787882 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 0.661066885469831 Energy: 0.6483723202439021 Energy: 0.6610668854695075 Energy: 0.6483723202439021 Energy: 0.6610668854701542 Energy: 0.6483723202432554 Energy: 0.6566664331803346 Energy: 0.6422671099750838 Energy: 0.6566664331803346 Energy: 0.6422671099747606 Energy: 0.656666433180658 Energy: 0.6422671099750838 Energy: 0.5982345075121622 Energy: 0.6644278250212234 Energy: 0.5982345075124855 Energy: 0.6644278250202533 Energy: 0.5982345075115155 Energy: 0.6644278250209001 Energy: 0.6039798957613008 Energy: 0.5801180853205599 Energy: 0.6039798957600074 Energy: 0.5801180853205599 Energy: 0.6039798957603307 Energy: 0.5801180853205599 Energy: 0.6654673611178871 Energy: 0.6362885709571005 Energy: 0.6654673611175638 Energy: 0.6362885709567772 Energy: 0.6654673611172404 Energy: 0.6362885709567772 Energy: 0.6543407515920127 Energy: 0.6545616262004095 Energy: 0.6543407515920127 Energy: 0.6545616262013796 Energy: 0.6543407515916894 Energy: 0.6545616262004095 Energy: 0.611745090257463 Energy: 0.6636346939988668 Energy: 0.6117450902577865 Energy: 0.6636346939995134 Energy: 0.6117450902571397 Energy: 0.6636346939988668 Energy: 0.5658197429571005 Energy: 0.6627400051125172 Energy: 0.5658197429577472 Energy: 0.6627400051105771 Energy: 0.5658197429580705 Energy: 0.6627400051121939 Energy: 0.5918853782443804 Energy: 0.6365204416282187 Energy: 0.59188537823953 Energy: 0.6365204416282187 Energy: 0.5918853782456738 Energy: 0.6365204416282187 Energy: 0.6792813663057363 Energy: 0.6282895127630256 Energy: 0.6792813663063829 Energy: 0.6282895127627023 Energy: 0.6792813663060596 Energy: 0.6282895127617322 Energy: 0.6035907223514251 Energy: 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0.6035958803999321 Energy: 0.5829908712826944 Energy: 0.6792576913417528 Energy: 0.5700358797994666 Energy: 0.6792576913407828 Energy: 0.5700358798001133 Energy: 0.6792576913404595 Energy: 0.5700358798001133 Energy: 0.5919531340115294 Energy: 0.636399808392423 Energy: 0.5919531340160268 Energy: 0.636399808392423 Energy: 0.591953134011206 Energy: 0.636399808392423 Energy: 0.5658281205464317 Energy: 0.6626462178146559 Energy: 0.565828120547725 Energy: 0.6626462178140093 Energy: 0.5658281205467551 Energy: 0.6626462178153026 Energy: 0.6115574210421677 Energy: 0.6635327108731169 Energy: 0.6115574210421677 Energy: 0.6635327108727936 Energy: 0.6115574210415209 Energy: 0.6635327108731169 Energy: 0.6546837055903304 Energy: 0.6072833044467058 Energy: 0.6546837055916238 Energy: 0.6072833044489693 Energy: 0.6546837055909772 Energy: 0.6072833044479992 Energy: 0.6654977615033708 Energy: 0.636654356475227 Energy: 0.6654977615030475 Energy: 0.636654356475227 Energy: 0.6654977615033708 Energy: 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0.6039798957606541 Energy: 0.5801180853202365 Energy: 0.6039798957596841 Energy: 0.5801180853202365 Energy: 0.6039798957603307 Energy: 0.5801180853202365 Energy: 0.6654673611182104 Energy: 0.6362885709561305 Energy: 0.6654673611185338 Energy: 0.6362885709561305 Energy: 0.6654673611185338 Energy: 0.636288570955807 minimum gb energy = 0.5640975275327532 eV minimum distance = 2.65997872111792 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 0.5668984388929423 Energy: 0.5242981494567953 Energy: 0.2832361898686111 Energy: 0.5242981494567953 Energy: 0.5668984388936784 Energy: 0.5242981494567953 Energy: 0.6309528230528674 Energy: 0.5146883534223325 Energy: 0.6309528230550755 Energy: 0.5145901793708553 Energy: 0.6309528230543395 Energy: 0.5146883534208604 Energy: 0.5663447027515442 Energy: 0.7086960184038523 Energy: 0.5663447027500721 Energy: 0.6563868887885272 Energy: 0.5663447027500721 Energy: 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0.32939342459249765 Energy: 0.6555791125077084 Energy: 0.3293934245932337 Energy: 0.6555791125091469 Energy: 0.3293934245947058 Energy: 0.655579112509883 Energy: 0.3865230963251323 Energy: 0.6598679703432198 Energy: 0.3865230963258684 Energy: 0.6598679703410115 Energy: 0.38652309632366016 Energy: 0.6598679703432198 Energy: 0.5668984388929423 Energy: 0.5242981494560592 Energy: 0.2832361898686111 Energy: 0.5242981494553232 Energy: 0.5668984388944145 Energy: 0.5242981494560592 Energy: 0.6309528230536035 Energy: 0.5146883534238047 Energy: 0.6309528230550755 Energy: 0.5145901793701192 Energy: 0.6309528230550755 Energy: 0.5146883534215965 Energy: 0.5663447027530163 Energy: 0.7086960184097408 Energy: 0.5663447027508082 Energy: 0.6563868888245604 Energy: 0.5663447027508082 Energy: 0.7086960184009081 Energy: 0.5242135526361177 Energy: 0.3770038372958536 Energy: 0.5242135526353817 Energy: 0.3769825992709702 Energy: 0.5242135526361177 Energy: 0.3770038372965897 Energy: 0.3861992325335739 Energy: 0.6336060546574341 Energy: 0.3861992325335739 Energy: 0.6336060546566981 Energy: 0.38619923253283783 Energy: 0.6336060546559621 Energy: 0.4714500483840342 Energy: 0.5665429475253841 Energy: 0.2827911553944294 Energy: 0.566542947523176 Energy: 0.4714500483832982 Energy: 0.566542947523176 Energy: 0.471434368819736 Energy: 0.3300528937797151 Energy: 0.28275800757936104 Energy: 0.3300528937797151 Energy: 0.4714343688175277 Energy: 0.3300528937804511 Energy: 0.6309759205590018 Energy: 0.3893661432128013 Energy: 0.6309759205575296 Energy: 0.38936614321132923 Energy: 0.6309759205567935 Energy: 0.38936614321132923 minimum gb energy = 0.282758007578625 eV minimum distance = 2.80114049356927 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 0.5743078459887021 Energy: 0.6468000939117533 Energy: 0.5743078459881629 Energy: 0.6468000939117533 Energy: 0.5743078459892413 Energy: 0.6468000939112141 Energy: 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0.888662170857656 Energy: 0.634106817130296 minimum gb energy = 0.4928604326996992 eV minimum distance = 2.66578728313279 Angstroms sigma value = 41 ======================================== theta = 58.99241699313286 ======================================== Energy: 0.6345295328557732 Energy: 0.5631743676978711 Energy: 0.6345295328553481 Energy: 0.5631743676978711 Energy: 0.6345295328557732 Energy: 0.5631743676978711 Energy: 0.7076666735107937 Energy: 0.6850772187035123 Energy: 0.7076666735107937 Energy: 0.6850772187030874 Energy: 0.7076666735099438 Energy: 0.6850772187030874 Energy: 0.6369192348222774 Energy: 0.6897119678770433 Energy: 0.6369192348248272 Energy: 0.6897119678766184 Energy: 0.6369192348222774 Energy: 0.6897119678766184 Energy: 0.6133674596511965 Energy: 0.5602135356009456 Energy: 0.6133674596511965 Energy: 0.5602135356009456 Energy: 0.6133674596516215 Energy: 0.5602135356009456 Energy: 0.5388608768779578 Energy: 0.5845355591161682 Energy: 0.5388608768779578 Energy: 0.5845355591161682 Energy: 0.5388608768783827 Energy: 0.5845355591157433 Energy: 0.7012188214378623 Energy: 0.6925263263742741 Energy: 0.7012188214378623 Energy: 0.6925263263721493 Energy: 0.7012188214378623 Energy: 0.6925263263742741 Energy: 0.5654893694543627 Energy: 0.7569609324027026 Energy: 0.5654893694535127 Energy: 0.7569609324014278 Energy: 0.5654893694547876 Energy: 0.7569609324014278 Energy: 0.5558300805916361 Energy: 0.5601732518585839 Energy: 0.5558300805912111 Energy: 0.5601732518585839 Energy: 0.5558300805912111 Energy: 0.5601732518585839 Energy: 0.542029839044187 Energy: 0.5650491080665109 Energy: 0.542029839043762 Energy: 0.5650491080665109 Energy: 0.542029839043762 Energy: 0.5650491080660858 Energy: 0.6059331010417474 Energy: 0.6363232034751312 Energy: 0.6059331010417474 Energy: 0.6363232034759811 Energy: 0.6059331010417474 Energy: 0.6363232034764061 Energy: 0.6050990848244402 Energy: 0.6368119020471961 Energy: 0.6050990848252901 Energy: 0.6368119020463463 Energy: 0.6050990848248651 Energy: 0.6368119020467712 Energy: 0.5388628346338756 Energy: 0.6592971455809805 Energy: 0.5388628346338756 Energy: 0.6592971455809805 Energy: 0.5388628346338756 Energy: 0.6592971455809805 Energy: 0.5584094784649455 Energy: 0.5625781668271128 Energy: 0.5584094784649455 Energy: 0.5625781668266879 Energy: 0.5584094784645205 Energy: 0.5625781668271128 Energy: 0.5323647397338183 Energy: 0.6292079753558898 Energy: 0.5323647397333933 Energy: 0.6292079753558898 Energy: 0.5323647397338183 Energy: 0.6292079753558898 Energy: 0.7008552606504642 Energy: 0.6949752849325512 Energy: 0.7008552606504642 Energy: 0.6949752849325512 Energy: 0.7008552606500392 Energy: 0.6949752849325512 Energy: 0.5368419867147023 Energy: 0.6687619342846896 Energy: 0.5368419867147023 Energy: 0.6687619342851145 Energy: 0.5368419867142774 Energy: 0.6687619342846896 Energy: 0.5624691418224762 Energy: 0.5626738746053329 Energy: 0.5624691418216262 Energy: 0.5626738746053329 Energy: 0.5624691418229012 Energy: 0.5626738746053329 Energy: 0.5954260218323194 Energy: 0.6908261087503895 Energy: 0.5954260218327443 Energy: 0.6908261087512394 Energy: 0.5954260218318944 Energy: 0.6908261087503895 Energy: 0.6272003245342394 Energy: 0.6861653252670381 Energy: 0.6272003245338145 Energy: 0.6861653252695878 Energy: 0.6272003245329645 Energy: 0.6861653252670381 Energy: 0.6058465706540312 Energy: 0.5762605883032665 Energy: 0.6058465706540312 Energy: 0.5762605883028415 Energy: 0.6058465706540312 Energy: 0.5762605883036914 Energy: 0.537238384260709 Energy: 0.6838183036415914 Energy: 0.5372383842590092 Energy: 0.6838183036428662 Energy: 0.537238384260284 Energy: 0.6838183036415914 Energy: 0.5902816231923471 Energy: 0.6886838979402486 Energy: 0.5902816231910722 Energy: 0.6886838979398237 Energy: 0.5902816231927721 Energy: 0.6886838979385488 Energy: 0.6121411751727666 Energy: 0.5593939207774928 Energy: 0.6121411751727666 Energy: 0.5593939207774928 Energy: 0.6121411751731916 Energy: 0.5593939207774928 Energy: 0.5370436819339056 Energy: 0.6017893949508893 Energy: 0.5370436819339056 Energy: 0.6017893949474896 Energy: 0.5370436819339056 Energy: 0.6017893949453649 Energy: 0.5334897523169735 Energy: 0.6448719574462736 Energy: 0.5334897523169735 Energy: 0.6448719574420241 Energy: 0.5334897523173984 Energy: 0.6448719574900253 Energy: 0.566105154404218 Energy: 0.63204464929941 Energy: 0.5661051544046432 Energy: 0.632044649298985 Energy: 0.5661051544046432 Energy: 0.63204464929941 Energy: 0.5539001951330984 Energy: 0.5593451918795548 Energy: 0.5539001951326734 Energy: 0.5593451918791299 Energy: 0.5539001951326734 Energy: 0.5593451918791299 Energy: 0.5439846252392235 Energy: 0.5863979537451253 Energy: 0.5439846252383735 Energy: 0.5863979537455501 Energy: 0.5439846252387986 Energy: 0.5863979537455501 Energy: 0.6050989784332285 Energy: 0.6946609371909872 Energy: 0.6050989784336535 Energy: 0.6946609371909872 Energy: 0.6050989784336535 Energy: 0.6946609371909872 Energy: 0.6711515436988628 Energy: 0.6031639198697092 Energy: 0.6711515436988628 Energy: 0.6031639198692843 Energy: 0.6711515436988628 Energy: 0.6031639198697092 Energy: 0.5371021985809779 Energy: 0.6622069813886438 Energy: 0.537102198580553 Energy: 0.6622069813886438 Energy: 0.537102198580128 Energy: 0.6622069813877939 Energy: 0.559427134884069 Energy: 0.5645993489535047 Energy: 0.5594271348836442 Energy: 0.5645993489535047 Energy: 0.5594271348836442 Energy: 0.5645993489539296 Energy: 0.5331359228887916 Energy: 0.6671385861641949 Energy: 0.5331359228892165 Energy: 0.6671385861641949 Energy: 0.5331359228896416 Energy: 0.6671385861641949 minimum gb energy = 0.5323647397333933 eV minimum distance = 2.68390041419861 Angstroms sigma value = 33 ======================================== theta = 62.439396894736774 ======================================== Energy: 0.6302528983712672 Energy: 0.5820252043262254 Energy: 0.6302528983721619 Energy: 0.5820252043262254 Energy: 0.6302528983727584 Energy: 0.5820252043262254 Energy: 0.6622090916602593 Energy: 0.5796500840020216 Energy: 0.662209091659961 Energy: 0.5796500840020216 Energy: 0.6622090916605576 Energy: 0.5796500840020216 Energy: 0.6147312364419038 Energy: 0.6895697367922339 Energy: 0.614731236441009 Energy: 0.6895697367901462 Energy: 0.6147312364416057 Energy: 0.6895697367910409 Energy: 0.6181153516080218 Energy: 0.576441394670978 Energy: 0.6181153516086182 Energy: 0.576441394670978 Energy: 0.6181153516074253 Energy: 0.576441394670978 Energy: 0.5822973833908612 Energy: 0.6238746794658446 Energy: 0.5822973833908612 Energy: 0.6238746794676341 Energy: 0.5822973833905629 Energy: 0.6238746794667394 Energy: 0.7994192192550212 Energy: 0.5836741307012588 Energy: 0.7994192192544246 Energy: 0.5836741307012588 Energy: 0.7994192192541265 Energy: 0.5836741307012588 Energy: 0.6077252357452393 Energy: 0.6625619963175953 Energy: 0.6077252357449411 Energy: 0.6625619963125251 Energy: 0.6077252357452393 Energy: 0.6625619963152093 Energy: 0.6304843798511585 Energy: 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0.593336626458902 Energy: 0.6295472775021135 Energy: 0.5933366264594984 Energy: 0.5809038833696152 Energy: 0.6284917441726492 Energy: 0.5809038833702116 Energy: 0.6284917441726492 Energy: 0.5809038833699134 Energy: 0.6284917441729474 Energy: 0.5785233632815173 Energy: 0.6648805274215669 Energy: 0.578523363281219 Energy: 0.6648805274218651 Energy: 0.5785233632815173 Energy: 0.6648805274221633 Energy: 0.6453895110902628 Energy: 0.5807779058831352 Energy: 0.6453895110908592 Energy: 0.5807779058828368 Energy: 0.645389511090561 Energy: 0.5807779058846263 Energy: 0.5786511927440615 Energy: 0.6156560862307482 Energy: 0.5786511927440615 Energy: 0.6156560862307482 Energy: 0.5786511927440615 Energy: 0.6156560862307482 Energy: 0.6249640161542658 Energy: 0.58120943239686 Energy: 0.6249640161542658 Energy: 0.5812094323965619 Energy: 0.6249640161527746 Energy: 0.58120943239686 Energy: 0.5845529598246396 Energy: 0.7986436830427985 Energy: 0.5845529598252361 Energy: 0.7986436830425004 Energy: 0.5845529598249379 Energy: 0.7986436830419038 Energy: 0.6648527845478246 Energy: 0.607446535981867 Energy: 0.6648527845466315 Energy: 0.6074465359815687 Energy: 0.6648527845475263 Energy: 0.6074465359815687 Energy: 0.6264356518475082 Energy: 0.5786600368849633 Energy: 0.6264356518478063 Energy: 0.5786600368849633 Energy: 0.6264356518487011 Energy: 0.5786600368849633 Energy: 0.5918986702214744 Energy: 0.6306445234738773 Energy: 0.591898670221176 Energy: 0.6306445234744739 Energy: 0.5918986702217726 Energy: 0.6306445234741757 Energy: 0.5920868794386818 Energy: 0.8305016755663439 Energy: 0.5920868794380851 Energy: 0.830501675566642 Energy: 0.5920868794380851 Energy: 0.8305016755663439 Energy: 0.6170451814950323 Energy: 0.5772737751135734 Energy: 0.6170451814956289 Energy: 0.5772737751135734 Energy: 0.617045181495927 Energy: 0.577273775113275 Energy: 0.5789031343886212 Energy: 0.5783563047706929 Energy: 0.5789031343889194 Energy: 0.5783563047745428 Energy: 0.5789031343880247 Energy: 0.5783563047700963 Energy: 0.766985024325412 Energy: 0.5867405889640648 Energy: 0.7669850243257104 Energy: 0.5867405889637665 Energy: 0.7669850243257104 Energy: 0.5867405889637665 Energy: 0.6285306348032497 Energy: 0.6470034387165182 Energy: 0.6285306348026533 Energy: 0.64700343871622 Energy: 0.6285306348029515 Energy: 0.6470034387156235 Energy: 0.6284214339689488 Energy: 0.6470958690535505 Energy: 0.6284214339674575 Energy: 0.6470958690532523 Energy: 0.6284214339686505 Energy: 0.6470958690532523 Energy: 0.7667063212100659 Energy: 0.5867737868035848 Energy: 0.7667063212112588 Energy: 0.5867737868035848 Energy: 0.7667063212112588 Energy: 0.5867737868035848 Energy: 0.57885638805274 Energy: 0.5798637478705817 Energy: 0.57885638805274 Energy: 0.5798637478690906 Energy: 0.5788563880533364 Energy: 0.5798637478678975 Energy: 0.6171932112136891 Energy: 0.577194831399579 Energy: 0.6171932112133909 Energy: 0.577194831399579 Energy: 0.6171932112145838 Energy: 0.577194831398386 Energy: 0.5921056576650092 Energy: 0.8305333728216496 Energy: 0.5921056576647111 Energy: 0.8305333728115092 Energy: 0.5921056576650092 Energy: 0.830533372821053 Energy: 0.5918974673445206 Energy: 0.6308517578912477 Energy: 0.5918974673430295 Energy: 0.6308517578924407 Energy: 0.5918974673433276 Energy: 0.6308517578957213 Energy: 0.626321624783793 Energy: 0.5787513217150938 Energy: 0.626321624783793 Energy: 0.5787513217150938 Energy: 0.6263216247834948 Energy: 0.5787513217153921 Energy: 0.6649259610573509 Energy: 0.6074128195161442 Energy: 0.6649259610588422 Energy: 0.6074128195161442 Energy: 0.6649259610591405 Energy: 0.6074128195164425 Energy: 0.5847329265601487 Energy: 0.7987835808701157 Energy: 0.5847329265595523 Energy: 0.7987835808695191 Energy: 0.5847329265607453 Energy: 0.7987835808695191 Energy: 0.5794496768163204 Energy: 0.5811938736676404 Energy: 0.5794496768160221 Energy: 0.5811938736676404 Energy: 0.5794496768181099 Energy: 0.5811938736676404 Energy: 0.5786419942051891 Energy: 0.6156436480812704 Energy: 0.5786419942042943 Energy: 0.6156436480815686 Energy: 0.5786419942045926 Energy: 0.6156436480815686 Energy: 0.6453892896607029 Energy: 0.5809170774962029 Energy: 0.6453892896589134 Energy: 0.5809170774959046 Energy: 0.6453892896601064 Energy: 0.5809170774956065 Energy: 0.578743659541341 Energy: 0.6644801242146801 Energy: 0.5787436595422357 Energy: 0.6644801242146801 Energy: 0.5787436595410428 Energy: 0.6644801242146801 minimum gb energy = 0.5761905993781055 eV minimum distance = 2.69283799647613 Angstroms sigma value = 67 ======================================== theta = 70.52877936550931 ======================================== Energy: 0.6150854370579888 Energy: 0.6165738907507013 Energy: 0.615085437057785 Energy: 0.6165738907507013 Energy: 0.6150854370579888 Energy: 0.6165738907504975 Energy: 0.5956783072951809 Energy: 0.5882293559071684 Energy: 0.5956783072951809 Energy: 0.5882293559071684 Energy: 0.5956783072945921 Energy: 0.5882293559069646 Energy: 0.7669363867553622 Energy: 0.7412412343903138 Energy: 0.7669363867555433 Energy: 0.7412412343901099 Energy: 0.7669363867557473 Energy: 0.7412412343906987 Energy: 0.5956560697629513 Energy: 0.5882458556690903 Energy: 0.5956560697631325 Energy: 0.5882458556690903 Energy: 0.5956560697629513 Energy: 0.5882458556688863 Energy: 0.6150854370573773 Energy: 0.6165738907507013 Energy: 0.6150854370573773 Energy: 0.6165738907507013 Energy: 0.6150854370575811 Energy: 0.6165738907504975 Energy: 0.5956783072942069 Energy: 0.5882293559079611 Energy: 0.5956783072943882 Energy: 0.5882293559079611 Energy: 0.5956783072943882 Energy: 0.5882293559077573 Energy: 0.598818357151225 Energy: 0.7412412343913103 Energy: 0.5988183571510212 Energy: 0.7412412343909026 Energy: 0.598818357151225 Energy: 0.7412412343911065 minimum gb energy = 0.5882293559069646 eV minimum distance = 2.72464211843912 Angstroms sigma value = 3 ======================================== theta = 77.88488253796277 ======================================== Energy: 0.8588592531573109 Energy: 0.6920335795092438 Energy: 0.8588592531576067 Energy: 0.692033579508948 Energy: 0.858859253158396 Energy: 0.692033579508948 Energy: 0.7164043453609131 Energy: 0.6668828481637702 Energy: 0.7164043453619982 Energy: 0.6668828481640168 Energy: 0.7164043453603706 Energy: 0.6668828481637702 Energy: 0.6914950205022855 Energy: 0.7345505968467895 Energy: 0.6914950205019896 Energy: 0.734550596844866 Energy: 0.6914950205014472 Energy: 0.7345505968481209 Energy: 0.7321019955929963 Energy: 0.6641730137140244 Energy: 0.7321019955938347 Energy: 0.6641730137143204 Energy: 0.7321019955951663 Energy: 0.6641730137143204 Energy: 0.7218360554679311 Energy: 0.7318096167852142 Energy: 0.7218360554690159 Energy: 0.7318096167852142 Energy: 0.7218360554676352 Energy: 0.7318096167852142 Energy: 0.6815678280332664 Energy: 0.730522701903183 Energy: 0.6815678280338089 Energy: 0.7305227019075231 Energy: 0.6815678280338089 Energy: 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2.70000447225943 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 0.7843218354893443 Energy: 0.6817976611745282 Energy: 0.7302400042773719 Energy: 0.6817976611745282 Energy: 0.7843218354887523 Energy: 0.6817976611745282 Energy: 0.7292152264858753 Energy: 0.6447485587887223 Energy: 0.7292152264864676 Energy: 0.6447485587893144 Energy: 0.7292152264852834 Energy: 0.6447485587887223 Energy: 0.7531255559823509 Energy: 0.7332096532853215 Energy: 0.7499186799924169 Energy: 0.7332096532859135 Energy: 0.7531255559829428 Energy: 0.7332096532859135 Energy: 0.6628022513528145 Energy: 0.7014994931700144 Energy: 0.6628022513486699 Energy: 0.7014994931676459 Energy: 0.662802251349262 Energy: 0.7014994931676459 Energy: 0.7510939827975598 Energy: 0.676573029352063 Energy: 0.7510939827987438 Energy: 0.6765730293538393 Energy: 0.751093982799928 Energy: 0.6765730293538393 Energy: 0.7663360824233851 Energy: 0.6653888332881003 Energy: 0.766336082422793 Energy: 0.665388833285732 Energy: 0.766336082422201 Energy: 0.6653888332851399 Energy: 0.7178822128547846 Energy: 0.7123685905257936 Energy: 0.7178822128565608 Energy: 0.7123685905269778 Energy: 0.7178822128565608 Energy: 0.7123685905257936 Energy: 0.6629636979767888 Energy: 0.6956617182015518 Energy: 0.6629636979761968 Energy: 0.6956617182033279 Energy: 0.6629636979756047 Energy: 0.6956617182033279 Energy: 0.7521663673393204 Energy: 0.6453276612445887 Energy: 0.7521663673381361 Energy: 0.6453276612434047 Energy: 0.7521663673387282 Energy: 0.6453276612434047 Energy: 0.6550030058147365 Energy: 0.6654284325552668 Energy: 0.654594958244478 Energy: 0.6654284325540827 Energy: 0.6550030058135523 Energy: 0.6654284325540827 Energy: 0.6894777837899511 Energy: 0.7023272108499453 Energy: 0.6894777837899511 Energy: 0.7023272108499453 Energy: 0.689477783789359 Energy: 0.7023272108499453 Energy: 0.7518485306481132 Energy: 0.7210990250329298 Energy: 0.7518485306475209 Energy: 0.7210990250317456 Energy: 0.7518485306475209 Energy: 0.7210990250317456 Energy: 0.7378994267571921 Energy: 0.6454788862561095 Energy: 0.7378994267589682 Energy: 0.6454788862561095 Energy: 0.7378994267583763 Energy: 0.6454788862561095 Energy: 0.7162522861432793 Energy: 0.6529050193415933 Energy: 0.6751266533312961 Energy: 0.6529050193427776 Energy: 0.7162522861462397 Energy: 0.6529050193427776 Energy: 0.7395847883231698 Energy: 0.6936436352389824 Energy: 0.6752234762218 Energy: 0.6936436352372061 Energy: 0.7395847883237617 Energy: 0.6936436352372061 Energy: 0.7434275575240188 Energy: 0.7245367908660775 Energy: 0.7434275575228347 Energy: 0.7245367908654854 Energy: 0.7434275575228347 Energy: 0.7245367908654854 Energy: 0.6538226770428601 Energy: 0.664756760148873 Energy: 0.6546439916148632 Energy: 0.6647567601506492 Energy: 0.6538226770458205 Energy: 0.6647567601500571 Energy: 0.6869867297503396 Energy: 0.7217139307358593 Energy: 0.6869867297479713 Energy: 0.7217139307370435 Energy: 0.6869867297491553 Energy: 0.7217139307364513 Energy: 0.654272487030942 Energy: 0.6648816256745218 Energy: 0.6542724870285737 Energy: 0.6648816256762982 Energy: 0.6542724870315341 Energy: 0.6648816256757061 Energy: 0.6838593056504083 Energy: 0.7245134881706029 Energy: 0.6838593056492243 Energy: 0.7245134881688267 Energy: 0.6838593056510004 Energy: 0.7245134881688267 Energy: 0.6751211034068496 Energy: 0.6507152494179798 Energy: 0.6751211034080338 Energy: 0.6507152494162035 Energy: 0.6751211034056654 Energy: 0.6507152494167957 Energy: 0.7672046067289955 Energy: 0.686937544783632 Energy: 0.7672046067301795 Energy: 0.686937544783632 Energy: 0.7672046067313638 Energy: 0.6869375447830398 Energy: 0.7488209323634422 Energy: 0.6447266915570393 Energy: 0.752290301839457 Energy: 0.6447266915558553 Energy: 0.7488209323634422 Energy: 0.6447266915558553 Energy: 0.7975269969868658 Energy: 0.7481823200574803 Energy: 0.7974944709677386 Energy: 0.7481823200562961 Energy: 0.79752699698805 Energy: 0.7481823200568881 minimum gb energy = 0.6447266915558553 eV minimum distance = 2.68635377190657 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 0.7071245303373084 Energy: 0.6184567069634601 Energy: 0.7071245303373084 Energy: 0.6184567069634601 Energy: 0.7071245303381456 Energy: 0.6184567069634601 Energy: 0.5963614499075726 Energy: 0.5809772713518809 Energy: 0.5963614499075726 Energy: 0.5809772713527183 Energy: 0.5963614499075726 Energy: 0.5809772713518809 Energy: 0.6927840862810929 Energy: 0.6873067679309491 Energy: 0.6927840862810929 Energy: 0.6873067679309491 Energy: 0.6927840862810929 Energy: 0.6873067679309491 Energy: 0.5625432599453579 Energy: 0.6548748557837826 Energy: 0.5625432599453579 Energy: 0.6548748557829452 Energy: 0.5625432599453579 Energy: 0.6548748557829452 Energy: 0.6875734087871272 Energy: 0.635200781015651 Energy: 0.6875734087871272 Energy: 0.6352007810139765 Energy: 0.6875734087871272 Energy: 0.6352007810139765 Energy: 0.6211118298560322 Energy: 0.6706054299999954 Energy: 0.6211118298560322 Energy: 0.6706054299999954 Energy: 0.6211118298560322 Energy: 0.6706054300008327 Energy: 0.6815899576506902 Energy: 0.6021134898705522 Energy: 0.6815899576506902 Energy: 0.6021134898705522 Energy: 0.6815899576506902 Energy: 0.6021134898705522 Energy: 0.5624561719019139 Energy: 0.6812476705306911 Energy: 0.5624561719027512 Energy: 0.6812476705198058 Energy: 0.5624561719035885 Energy: 0.6812476705733761 Energy: 0.6424513237221077 Energy: 0.5815839084687675 Energy: 0.6424513237221077 Energy: 0.5815839084687675 Energy: 0.6424513237221077 Energy: 0.5815839084687675 Energy: 0.6313845543320314 Energy: 0.5979325360023664 Energy: 0.6313845543311941 Energy: 0.5979325360032037 Energy: 0.6313845543311941 Energy: 0.5979325360032037 Energy: 0.6175409789300588 Energy: 0.6271102390406228 Energy: 0.6175409789283842 Energy: 0.6271102390406228 Energy: 0.6175409789292214 Energy: 0.6271102390414601 Energy: 0.6415809964393262 Energy: 0.5822286748976552 Energy: 0.6415809964401636 Energy: 0.5822286748959806 Energy: 0.6415809964393262 Energy: 0.582228674896818 Energy: 0.5623474828259222 Energy: 0.674122582343033 Energy: 0.562347482825085 Energy: 0.674122582343033 Energy: 0.5623474828259222 Energy: 0.674122582343033 Energy: 0.6309158548049312 Energy: 0.658549216959262 Energy: 0.630915854804094 Energy: 0.6585492169584247 Energy: 0.630915854804094 Energy: 0.6585492169584247 Energy: 0.6192365303995933 Energy: 0.660949774564732 Energy: 0.6192365303995933 Energy: 0.660949774564732 Energy: 0.619236530398756 Energy: 0.660949774564732 Energy: 0.6195031932160439 Energy: 0.6702372276521833 Energy: 0.6195031932152066 Energy: 0.6702372276496713 Energy: 0.6195031932152066 Energy: 0.6702372276505086 Energy: 0.62967324102292 Energy: 0.6584254992045371 Energy: 0.6296732410220827 Energy: 0.6584254992045371 Energy: 0.62967324102292 Energy: 0.6584254992045371 minimum gb energy = 0.562347482825085 eV minimum distance = 2.67016104749311 Angstroms sigma value = 17 ======================================== theta = 97.054131382119 ======================================== Energy: 0.6485338935217619 Energy: 0.5758316358762006 Energy: 0.6485338935220852 Energy: 0.5758316358758772 Energy: 0.6485338935224085 Energy: 0.5758316358762006 Energy: 0.6670231772539719 Energy: 0.5496854087648371 Energy: 0.6670231772536485 Energy: 0.549685408763867 Energy: 0.6670231772533252 Energy: 0.5496854087645138 Energy: 0.618161021311898 Energy: 0.6041052339890771 Energy: 0.6181610213122214 Energy: 0.6041052339884305 Energy: 0.6181610213112514 Energy: 0.6041052339890771 Energy: 0.5284737302346318 Energy: 0.6019285223537023 Energy: 0.5284737302313984 Energy: 0.6019285223530556 Energy: 0.5284737302317217 Energy: 0.6019285223527323 Energy: 0.6551142404673043 Energy: 0.548345893705596 Energy: 0.6551142404666576 Energy: 0.5483458937052726 Energy: 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0.588966812659328 Energy: 0.7046427781018711 Energy: 0.588966812665795 Energy: 0.7046427781018711 Energy: 0.588966812673232 Energy: 0.7046427781018711 Energy: 0.5724967831014873 Energy: 0.6021349628505265 Energy: 0.5724967831008406 Energy: 0.6021349628527899 Energy: 0.5724967831011639 Energy: 0.6021349628605502 Energy: 0.5838646705343702 Energy: 0.5844798030077729 Energy: 0.5838646705340468 Energy: 0.5844798030077729 Energy: 0.5838646705337235 Energy: 0.5844798030074495 Energy: 0.5725353264590474 Energy: 0.6603639153695015 Energy: 0.5725353264606642 Energy: 0.6603639153698249 Energy: 0.5725353264590474 Energy: 0.660363915370442 Energy: 0.5889623547803051 Energy: 0.704639896646542 Energy: 0.5889623547793351 Energy: 0.704639896646836 Energy: 0.5889623547812752 Energy: 0.704639896646836 Energy: 0.5848477330727146 Energy: 0.5865229412798398 Energy: 0.5848477330743312 Energy: 0.5865229412801632 Energy: 0.584847733073038 Energy: 0.5865229412801632 Energy: 0.5287886423327325 Energy: 0.6466877045591695 Energy: 0.5287886423304691 Energy: 0.6466877045594929 Energy: 0.5287886423343492 Energy: 0.6466877045594929 Energy: 0.6138725129487097 Energy: 0.6288763088819846 Energy: 0.6138725129480629 Energy: 0.6288763088829546 Energy: 0.6138725129480629 Energy: 0.6288763088829546 Energy: 0.5732207631911976 Energy: 0.6274630248644083 Energy: 0.5732207631902276 Energy: 0.6274630248637617 Energy: 0.573220763191521 Energy: 0.6274630248644083 Energy: 0.5860494577796436 Energy: 0.5631134701793941 Energy: 0.5860494577796436 Energy: 0.5631134701793941 Energy: 0.5860494577796436 Energy: 0.5631134701797175 Energy: 0.6167642923348543 Energy: 0.5546345469196348 Energy: 0.616764292336471 Energy: 0.5546345469199582 Energy: 0.6167642923351776 Energy: 0.5546345469196348 Energy: 0.5286989997958772 Energy: 0.6818856450632065 Energy: 0.5286989997968472 Energy: 0.6818856450628831 Energy: 0.5286989997958772 Energy: 0.6818856450628831 Energy: 0.58213967051042 Energy: 0.6088658091836837 Energy: 0.5821396705123603 Energy: 0.608865809184007 Energy: 0.5821396705107434 Energy: 0.608865809184007 Energy: 0.5951264994453715 Energy: 0.6062740940385056 Energy: 0.5951264994437547 Energy: 0.6062740940378588 Energy: 0.5951264994434314 Energy: 0.6062740940375355 Energy: 0.5711470818633515 Energy: 0.5957576023825334 Energy: 0.5711470818633515 Energy: 0.5957576023818867 Energy: 0.5711470818656149 Energy: 0.5957576023825334 Energy: 0.5807672899718087 Energy: 0.5683436696977329 Energy: 0.5807672899714853 Energy: 0.5683436696980563 Energy: 0.580767289972132 Energy: 0.5683436696970862 Energy: 0.5974778357897136 Energy: 0.5602804202259364 Energy: 0.5974778357906837 Energy: 0.5602804202262597 Energy: 0.5974778357897136 Energy: 0.5602804202262597 Energy: 0.6548738249721486 Energy: 0.548292361636937 Energy: 0.6548738249721486 Energy: 0.548292361636937 Energy: 0.6548738249718253 Energy: 0.5482923616372604 Energy: 0.5286446009574648 Energy: 0.5861836453770342 Energy: 0.5286446009526147 Energy: 0.5861836453767109 Energy: 0.5286446009535848 Energy: 0.5861836453799442 Energy: 0.6183386514026562 Energy: 0.6040555637012693 Energy: 0.6183386514023329 Energy: 0.6040555637012693 Energy: 0.6183386514023329 Energy: 0.6040555637009462 Energy: 0.5794937046358583 Energy: 0.549016636776862 Energy: 0.5794937046610795 Energy: 0.5490166367765387 Energy: 0.5794937046394151 Energy: 0.549016636776862 Energy: 0.6485338935237019 Energy: 0.5758316358752306 Energy: 0.6485338935233786 Energy: 0.5758316358749072 Energy: 0.6485338935233786 Energy: 0.5758316358752306 Energy: 0.667023177254942 Energy: 0.54890008799804 Energy: 0.667023177255912 Energy: 0.5489000879973933 Energy: 0.6670231772546186 Energy: 0.5489000879977166 Energy: 0.6181610213096346 Energy: 0.6041052339910173 Energy: 0.6181610213096346 Energy: 0.6041052339910173 Energy: 0.6181610213089879 Energy: 0.6041052339910173 Energy: 0.5284737302320451 Energy: 0.6019285223537023 Energy: 0.5284737302313984 Energy: 0.6019285223540256 Energy: 0.5284737302336618 Energy: 0.6019285223540256 Energy: 0.6551142404663343 Energy: 0.5483458937085062 Energy: 0.6551142404660109 Energy: 0.548345893705596 Energy: 0.6551142404666576 Energy: 0.5483458937065661 minimum gb energy = 0.5276023424920582 eV minimum distance = 2.69535170336656 Angstroms sigma value = 57 ======================================== theta = 99.36891557845483 ======================================== Energy: 0.6007003331126757 Energy: 0.5362705888896298 Energy: 0.6007003331126757 Energy: 0.5362705888896298 Energy: 0.6007003331126757 Energy: 0.5362705888901562 Energy: 0.6086262239881205 Energy: 0.5147964493661258 Energy: 0.6086262239891733 Energy: 0.5147964493687581 Energy: 0.6086262239875939 Energy: 0.5147964493661258 Energy: 0.604482985183101 Energy: 0.5654048112700254 Energy: 0.6044829851825745 Energy: 0.5654048112716048 Energy: 0.6044829851825745 Energy: 0.5654048112700254 Energy: 0.5742283042072798 Energy: 0.5568565255965422 Energy: 0.5742283042072798 Energy: 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0.5402018426840103 Energy: 0.528323341334852 Energy: 0.506874919410228 Energy: 0.5579170382894989 Energy: 0.5068749194081221 Energy: 0.5579170382894989 Energy: 0.5068749194081221 Energy: 0.5579170382900255 Energy: 0.5437086244504552 Energy: 0.5003299580172829 Energy: 0.5437086244509817 Energy: 0.5003299580167564 Energy: 0.5437086244509817 Energy: 0.5003299580167564 Energy: 0.5385418432926796 Energy: 0.5864113310243615 Energy: 0.5385418432916268 Energy: 0.5864113310243615 Energy: 0.5385418432942592 Energy: 0.5864113310243615 Energy: 0.5038688881419924 Energy: 0.6242964551694538 Energy: 0.503868888142519 Energy: 0.6242964551689272 Energy: 0.5038688881419924 Energy: 0.6242964551689272 Energy: 0.5815379045442826 Energy: 0.5270157603706606 Energy: 0.581537904543756 Energy: 0.527015760373293 Energy: 0.581537904543756 Energy: 0.5270157603706606 Energy: 0.5371839415519009 Energy: 0.5373825377066288 Energy: 0.5371839415524274 Energy: 0.5373825377071553 Energy: 0.5371839415513744 Energy: 0.5373825377076817 Energy: 0.5384298303239071 Energy: 0.6073112556625286 Energy: 0.5384298303223277 Energy: 0.6073112556625286 Energy: 0.5384298303239071 Energy: 0.6073112556625286 Energy: 0.5731704898256188 Energy: 0.5947584929668043 Energy: 0.5731704898245659 Energy: 0.5947584929641719 Energy: 0.5731704898250923 Energy: 0.5947584929636454 Energy: 0.5032560678458645 Energy: 0.5754374565874436 Energy: 0.5032560678416526 Energy: 0.5754374565895495 Energy: 0.5032560678453379 Energy: 0.5754374565890229 Energy: 0.503353011047586 Energy: 0.5625447866360471 Energy: 0.503353011047586 Energy: 0.5625447866360471 Energy: 0.503353011047586 Energy: 0.5625447866360471 Energy: 0.5532800776911596 Energy: 0.6765587033838943 Energy: 0.5532800776916862 Energy: 0.6765587033838943 Energy: 0.5532800776901067 Energy: 0.6765587033833678 Energy: 0.5015491282728848 Energy: 0.6381005883225029 Energy: 0.5015491282734114 Energy: 0.6381005883219766 Energy: 0.5015491282728848 Energy: 0.6381005883225029 Energy: 0.5476597414520552 Energy: 0.5449772962068075 Energy: 0.5476597414536346 Energy: 0.5449772962068075 Energy: 0.5476597414525816 Energy: 0.5449772962068075 Energy: 0.5380172856856773 Energy: 0.6370501029888815 Energy: 0.5380172856846245 Energy: 0.6370501029883551 Energy: 0.5380172856856773 Energy: 0.6370501029883551 Energy: 0.5392858540029928 Energy: 0.6759867382313793 Energy: 0.5392858540040457 Energy: 0.6759867382313793 Energy: 0.5392858540008868 Energy: 0.6759867382313793 Energy: 0.5367237123953338 Energy: 0.5452549802492753 Energy: 0.5367237123948073 Energy: 0.5452549802487487 Energy: 0.5367237123948073 Energy: 0.5452549802487487 Energy: 0.5008691699757019 Energy: 0.5754119869686126 Energy: 0.5008691699751754 Energy: 0.5754119869633478 Energy: 0.5008691699783343 Energy: 0.5754119869675596 minimum gb energy = 0.49166943054412227 eV minimum distance = 2.66411207489853 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 0.5980764852965944 Energy: 0.49255571864620956 Energy: 0.5980764852965944 Energy: 0.49255571864620956 Energy: 0.5980764852958272 Energy: 0.49255571864659314 Energy: 0.5351019012431203 Energy: 0.4908768031365826 Energy: 0.5351019012431203 Energy: 0.4908768031369662 Energy: 0.5351019012431203 Energy: 0.4908768031373498 Energy: 0.53326394244745 Energy: 0.5552799838503868 Energy: 0.5332639424478337 Energy: 0.5552799838507704 Energy: 0.53326394244745 Energy: 0.5552799838507704 Energy: 0.5834088823082438 Energy: 0.49593227590202055 Energy: 0.5834088823067094 Energy: 0.49593227590240413 Energy: 0.5834088823090111 Energy: 0.49593227590240413 Energy: 0.531652748839898 Energy: 0.4711942000760564 Energy: 0.5316527488410489 Energy: 0.4711942000760564 Energy: 0.531652748839898 Energy: 0.4711942000764399 Energy: 0.48840220207674917 Energy: 0.4757091105655923 Energy: 0.4884022020779 Energy: 0.4757091105655923 Energy: 0.4884022020771328 Energy: 0.4757091105655923 Energy: 0.46660038501817414 Energy: 0.4803675618790319 Energy: 0.4666003850177905 Energy: 0.4803675618786483 Energy: 0.46660038501740697 Energy: 0.4803675618794155 Energy: 0.5298658349521432 Energy: 0.46939446456473355 Energy: 0.5298658349517595 Energy: 0.46939446456473355 Energy: 0.5298658349521432 Energy: 0.46939446456473355 Energy: 0.4709883363084272 Energy: 0.47215814846219867 Energy: 0.4709883363088107 Energy: 0.47215814846219867 Energy: 0.4709883363084272 Energy: 0.47215814846219867 Energy: 0.5339870924599736 Energy: 0.46134038326330107 Energy: 0.5339870924603571 Energy: 0.46134038326330107 Energy: 0.5339870924595899 Energy: 0.46134038326330107 Energy: 0.5904050609485649 Energy: 0.4581802870501241 Energy: 0.5904050609489485 Energy: 0.45818028705089126 Energy: 0.5904050609485649 Energy: 0.45818028704820607 Energy: 0.4541406907067141 Energy: 0.47237741698964836 Energy: 0.4541406907063305 Energy: 0.4723774169892648 Energy: 0.45414069070709767 Energy: 0.47237741698964836 Energy: 0.4849957429068605 Energy: 0.44631703080972657 Energy: 0.4849957429064769 Energy: 0.44631703080972657 Energy: 0.48499574290609326 Energy: 0.4463170308101101 Energy: 0.5801048234637799 Energy: 0.46910710786319176 Energy: 0.5801048234633963 Energy: 0.4691071078624246 Energy: 0.5801048234630127 Energy: 0.4691071078628081 Energy: 0.46430267153236826 Energy: 0.4717975921720917 Energy: 0.46430267153275184 Energy: 0.47179759217362616 Energy: 0.4643026715319846 Energy: 0.4717975921720917 Energy: 0.4956143573733842 Energy: 0.48392661840555135 Energy: 0.49561435737300064 Energy: 0.48392661840555135 Energy: 0.4956143573733842 Energy: 0.48392661840555135 Energy: 0.44965862133512036 Energy: 0.5673621567839692 Energy: 0.4496586213339695 Energy: 0.5673621567839692 Energy: 0.4496586213339695 Energy: 0.5673621567835855 Energy: 0.4749119572459837 Energy: 0.44511229599232544 Energy: 0.4749119572459837 Energy: 0.44511229599309265 Energy: 0.47491195724636726 Energy: 0.44511229599309265 Energy: 0.47633783997231666 Energy: 0.5161853832342962 Energy: 0.4763378399730839 Energy: 0.5161853832342962 Energy: 0.4763378399727002 Energy: 0.5161853832342962 Energy: 0.4686688495342011 Energy: 0.5200800550521575 Energy: 0.4686688495342011 Energy: 0.5200800550521575 Energy: 0.4686688495338176 Energy: 0.5200800550525412 Energy: 0.5140456195974351 Energy: 0.4733722246758461 Energy: 0.5140456195978188 Energy: 0.4733722246758461 Energy: 0.5140456195978188 Energy: 0.4733722246758461 Energy: 0.5617698759837438 Energy: 0.5301786233932894 Energy: 0.5617698759837438 Energy: 0.5301786233929057 Energy: 0.5617698759837438 Energy: 0.5301786233929057 Energy: 0.5026104352216572 Energy: 0.5328280442000686 Energy: 0.5026104352201228 Energy: 0.532828044200452 Energy: 0.5026104352212736 Energy: 0.532828044200452 Energy: 0.5110942852321577 Energy: 0.5649968460990811 Energy: 0.5110942852321577 Energy: 0.5649968460998482 Energy: 0.5110942852317741 Energy: 0.5649968460998482 Energy: 0.5302397957912994 Energy: 0.5220916336254269 Energy: 0.5302397957912994 Energy: 0.5220916336250432 Energy: 0.5302397957912994 Energy: 0.5220916336246596 Energy: 0.4669752312668179 Energy: 0.499296150210817 Energy: 0.46697523126605067 Energy: 0.4992961502112006 Energy: 0.4669752312668179 Energy: 0.4992961502112006 Energy: 0.4959701221292092 Energy: 0.5417488980930965 Energy: 0.4959701221292092 Energy: 0.54174889809348 Energy: 0.49597012213036 Energy: 0.5417488980930965 Energy: 0.4561380607178435 Energy: 0.5228023922540403 Energy: 0.4561380607178435 Energy: 0.5228023922540403 Energy: 0.4561380607170763 Energy: 0.5228023922536569 Energy: 0.4668083463898857 Energy: 0.47066946607880966 Energy: 0.46680834639065294 Energy: 0.4706694660791933 Energy: 0.4668083463902694 Energy: 0.47066946607880966 Energy: 0.4613296001312689 Energy: 0.585420154814119 Energy: 0.4613296001312689 Energy: 0.585420154814119 Energy: 0.4613296001312689 Energy: 0.5854201548137354 Energy: 0.4532008341400592 Energy: 0.5237971061911328 Energy: 0.4532008341404428 Energy: 0.5237971061907493 Energy: 0.4532008341404428 Energy: 0.5237971061895984 Energy: 0.4669627870579944 Energy: 0.4643132954905298 Energy: 0.46696278705837796 Energy: 0.4643132954905298 Energy: 0.46696278705837796 Energy: 0.4643132954905298 Energy: 0.4514106671401089 Energy: 0.5217966568627221 Energy: 0.4514106671401089 Energy: 0.5217966568623386 Energy: 0.4514106671401089 Energy: 0.5217966568631058 Energy: 0.4733131646747453 Energy: 0.5814619267418372 Energy: 0.47331316467436174 Energy: 0.5814619267418372 Energy: 0.4733131646747453 Energy: 0.5814619267414536 Energy: 0.46786922521408725 Energy: 0.45397799107936004 Energy: 0.46786922521370367 Energy: 0.4539779910789764 Energy: 0.46786922521332003 Energy: 0.45397799107974357 Energy: 0.42587998163704355 Energy: 0.5204295395773135 Energy: 0.42587998163781077 Energy: 0.5204295395776971 Energy: 0.425879981638578 Energy: 0.5204295395776971 minimum gb energy = 0.42587998163704355 eV minimum distance = 2.64590583038562 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.050517426743003684 Energy: 0.08971361033750627 Energy: 0.050517426743003684 Energy: 0.0897136103376504 Energy: 0.05051742674287555 Energy: 0.08971361033750627 Energy: 0.3398972942968149 Energy: 0.05104839128196346 Energy: 0.3398972942966707 Energy: 0.051048391280698165 Energy: 0.33989729429695903 Energy: 0.05104839128055402 Energy: 0.3398846644851071 Energy: 0.05097620655344951 Energy: 0.3398846644851071 Energy: 0.05097620655344951 Energy: 0.3398846644852513 Energy: 0.05097620655344951 Energy: 0.050517426743003684 Energy: 0.08971361033750627 Energy: 0.05051742674287555 Energy: 0.08971361033750627 Energy: 0.050517426743003684 Energy: 0.0897136103376504 Energy: 0.33989729429652665 Energy: 0.051048391279993444 Energy: 0.33989729429708715 Energy: 0.05104839128125874 Energy: 0.3398972942968149 Energy: 0.05104839128125874 Energy: 0.3398846644851071 Energy: 0.05097620655330537 Energy: 0.3398846644851071 Energy: 0.05097620655330537 Energy: 0.3398846644851071 Energy: 0.05097620655303308 Energy: 0.05051742674287555 Energy: 0.08971361033750627 Energy: 0.050517426743003684 Energy: 0.0897136103376504 Energy: 0.05051742674287555 Energy: 0.0897136103376504 Energy: 0.3398972942966707 Energy: 0.05104839128125874 Energy: 0.3398972942968149 Energy: 0.051048391281114595 Energy: 0.33989729429638244 Energy: 0.05104839128154703 Energy: 0.3398846644852513 Energy: 0.05097620655316121 Energy: 0.3398846644852513 Energy: 0.05097620655330537 Energy: 0.3398846644851071 Energy: 0.05097620655303308 Energy: 0.05051742674287555 Energy: 0.0897136103376504 Energy: 0.05051742674273141 Energy: 0.08971361033750627 Energy: 0.050517426743003684 Energy: 0.08971361033737814 minimum gb energy = 0.05051742674273141 eV minimum distance = 2.83742081978205 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 0.4934081910414016 Energy: 0.4558329135434109 Energy: 0.49340819104097977 Energy: 0.4558329135429891 Energy: 0.4934081910414016 Energy: 0.4558329135434109 Energy: 0.4761092262398824 Energy: 0.4781273763144983 Energy: 0.47610922624072594 Energy: 0.4781273763144983 Energy: 0.4761092262398824 Energy: 0.4781273763144983 Energy: 0.5013474305291956 Energy: 0.4776092390346103 Energy: 0.501347430528352 Energy: 0.4776092390346103 Energy: 0.5013474305287738 Energy: 0.4776092390346103 Energy: 0.5337528942420408 Energy: 0.47120897239839016 Energy: 0.5337528942420408 Energy: 0.47120897239796844 Energy: 0.5337528942420408 Energy: 0.47120897239839016 Energy: 0.4090112333911211 Energy: 0.4801896562313404 Energy: 0.4090112333915429 Energy: 0.4801896562309186 Energy: 0.40901123339196466 Energy: 0.4801896562313404 Energy: 0.5062131072871929 Energy: 0.5191539101283039 Energy: 0.5062131072871929 Energy: 0.5191539101283039 Energy: 0.5062131072871929 Energy: 0.5191539101283039 Energy: 0.5383877386401134 Energy: 0.4796828078682384 Energy: 0.5383877386396915 Energy: 0.4796828078682384 Energy: 0.5383877386392698 Energy: 0.47968280786781664 Energy: 0.41818110331227687 Energy: 0.4803932373930023 Energy: 0.4181811033114333 Energy: 0.4803932373930023 Energy: 0.41818110331185515 Energy: 0.4803932373930023 Energy: 0.5148118686452625 Energy: 0.5130761689654929 Energy: 0.5148118686448407 Energy: 0.5130761689654929 Energy: 0.5148118686452625 Energy: 0.5130761689654929 Energy: 0.4674194935906541 Energy: 0.4389454560664226 Energy: 0.4674194935902323 Energy: 0.43894545606684443 Energy: 0.4674194935906541 Energy: 0.4389454560664226 Energy: 0.43291539727258227 Energy: 0.46506249401079386 Energy: 0.4329153972717388 Energy: 0.46506249401079386 Energy: 0.43291539727258227 Energy: 0.46506249401079386 Energy: 0.529287040806971 Energy: 0.5349956156502643 Energy: 0.5292870408073928 Energy: 0.5349956156502643 Energy: 0.5292870408065491 Energy: 0.5349956156502643 Energy: 0.48427138255133667 Energy: 0.4147753907037065 Energy: 0.48427138255133667 Energy: 0.4147753907032847 Energy: 0.48427138255133667 Energy: 0.4147753907032847 Energy: 0.44932585623618154 Energy: 0.4172108490741347 Energy: 0.44932585623533794 Energy: 0.41721084907624356 Energy: 0.44932585623533794 Energy: 0.41721084907329115 Energy: 0.4860573650736676 Energy: 0.5175387175509201 Energy: 0.4860573650732459 Energy: 0.5175387175509201 Energy: 0.4860573650736676 Energy: 0.5175387175509201 Energy: 0.44819200581524793 Energy: 0.40862738481531524 Energy: 0.4481920058148261 Energy: 0.40862738481573696 Energy: 0.4481920058148261 Energy: 0.4086273848148934 Energy: 0.4787518979942645 Energy: 0.5274508807825264 Energy: 0.4787518979942645 Energy: 0.5274508807825264 Energy: 0.4787518979942645 Energy: 0.5274508807821047 Energy: 0.4825656263647555 Energy: 0.4967434450279034 Energy: 0.48256562636433364 Energy: 0.4967434450279034 Energy: 0.48256562636517725 Energy: 0.4967434450279034 Energy: 0.4851435968111305 Energy: 0.4147663021350954 Energy: 0.4851435968111305 Energy: 0.41476630213636073 Energy: 0.4851435968115522 Energy: 0.4147663021350954 Energy: 0.4667477756571006 Energy: 0.5528880695699993 Energy: 0.4667477756571006 Energy: 0.5528880695699993 Energy: 0.4667477756566789 Energy: 0.5528880695699993 Energy: 0.5026743970807704 Energy: 0.47647358698154463 Energy: 0.5026743970811922 Energy: 0.47647358698154463 Energy: 0.5026743970811922 Energy: 0.47647358698154463 Energy: 0.5015304287488668 Energy: 0.48107532497671873 Energy: 0.5015304287497103 Energy: 0.48107532497671873 Energy: 0.5015304287497103 Energy: 0.48107532497671873 Energy: 0.499649010754019 Energy: 0.5835639485144719 Energy: 0.4996490107535973 Energy: 0.5835639485148936 Energy: 0.49964901075444085 Energy: 0.5835639485144719 Energy: 0.494846315997195 Energy: 0.40818515950815204 Energy: 0.4948463159976168 Energy: 0.40818515950815204 Energy: 0.4948463159976168 Energy: 0.40818515950815204 Energy: 0.5261444788044115 Energy: 0.45987843890713775 Energy: 0.5261444788039897 Energy: 0.45987843890713775 Energy: 0.5261444788044115 Energy: 0.45987843890713775 Energy: 0.47314759314888327 Energy: 0.5226937402453736 Energy: 0.47314759314846155 Energy: 0.5226937402453736 Energy: 0.47314759314846155 Energy: 0.5226937402453736 Energy: 0.5365187819600434 Energy: 0.4241646270209315 Energy: 0.5365187819600434 Energy: 0.4241646270205097 Energy: 0.5365187819600434 Energy: 0.4241646270205097 Energy: 0.5118810947040535 Energy: 0.469731186351143 Energy: 0.5118810947036317 Energy: 0.469731186351143 Energy: 0.5118810947040535 Energy: 0.469731186351143 Energy: 0.45795931944028884 Energy: 0.4809238510630481 Energy: 0.4579593194394453 Energy: 0.4809238510630481 Energy: 0.45795931944028884 Energy: 0.48092385106262636 Energy: 0.538969104507998 Energy: 0.45340694735818526 Energy: 0.5389691045075762 Energy: 0.45340694735776343 Energy: 0.5389691045071544 Energy: 0.45340694735776343 Energy: 0.4078309737315154 Energy: 0.5201388028774205 Energy: 0.407830973732359 Energy: 0.5201388028774205 Energy: 0.4078309737319372 Energy: 0.5201388028778423 Energy: 0.4351849016482083 Energy: 0.44092547882797767 Energy: 0.43518490164863005 Energy: 0.4409254788275559 Energy: 0.4351849016482083 Energy: 0.44092547882797767 Energy: 0.41187279849839803 Energy: 0.4754286312742294 Energy: 0.41187279849839803 Energy: 0.4754286312738077 Energy: 0.4118727984992416 Energy: 0.4754286312738077 minimum gb energy = 0.4078309737315154 eV minimum distance = 2.7003286605232 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 0.645083768185791 Energy: 0.5745450521583101 Energy: 0.645083768185791 Energy: 0.5745450521583101 Energy: 0.645083768185791 Energy: 0.5745450521583101 Energy: 0.5656780582571244 Energy: 0.5795449365457424 Energy: 0.5656780582565233 Energy: 0.5795449365451413 Energy: 0.5656780582565233 Energy: 0.5795449365457424 Energy: 0.613142857214727 Energy: 0.5820579393091726 Energy: 0.613142857214727 Energy: 0.5820579393091726 Energy: 0.613142857214727 Energy: 0.5820579393091726 Energy: 0.6198249940304026 Energy: 0.5784660330660656 Energy: 0.6198249940310037 Energy: 0.5784660330660656 Energy: 0.6198249940304026 Energy: 0.5784660330660656 Energy: 0.5049919710205122 Energy: 0.5671789578792683 Energy: 0.5049919710199112 Energy: 0.5671789578792683 Energy: 0.5049919710199112 Energy: 0.5671789578792683 Energy: 0.6131856354195636 Energy: 0.6100640884240482 Energy: 0.6131856354189626 Energy: 0.6100640884240482 Energy: 0.6131856354195636 Energy: 0.6100640884246493 Energy: 0.56318506298813 Energy: 0.5547181486640157 Energy: 0.563185062988731 Energy: 0.5547181486646167 Energy: 0.56318506298813 Energy: 0.5547181486640157 Energy: 0.5578650556244429 Energy: 0.5634315131939871 Energy: 0.5578650556244429 Energy: 0.5634315131939871 Energy: 0.5578650556244429 Energy: 0.5634315131939871 Energy: 0.6288162599446339 Energy: 0.6446594053443035 Energy: 0.6288162599446339 Energy: 0.6446594053443035 Energy: 0.6288162599440329 Energy: 0.6446594053443035 Energy: 0.5690546019398964 Energy: 0.5194840226153659 Energy: 0.5690546019398964 Energy: 0.5194840226153659 Energy: 0.5690546019404973 Energy: 0.5194840226153659 Energy: 0.5774067984350231 Energy: 0.6168285060559184 Energy: 0.5774067984350231 Energy: 0.6168285060559184 Energy: 0.5774067984344221 Energy: 0.6168285060553175 Energy: 0.5686326978738948 Energy: 0.6002598924460438 Energy: 0.5686326978738948 Energy: 0.6002598924460438 Energy: 0.5686326978738948 Energy: 0.6002598924460438 Energy: 0.5692535991545986 Energy: 0.5664412634337281 Energy: 0.5692535991539974 Energy: 0.5664412634337281 Energy: 0.5692535991539974 Energy: 0.5664412634337281 Energy: 0.5627426689619158 Energy: 0.6370281332810662 Energy: 0.5627426689625168 Energy: 0.6370281332810662 Energy: 0.5627426689619158 Energy: 0.6370281332810662 Energy: 0.5714927590147864 Energy: 0.5648490983775132 Energy: 0.5714927590147864 Energy: 0.5648490983775132 Energy: 0.5714927590147864 Energy: 0.5648490983775132 Energy: 0.520796802348824 Energy: 0.5858324037904499 Energy: 0.5207968023482231 Energy: 0.5858324037904499 Energy: 0.520796802350627 Energy: 0.5858324037904499 Energy: 0.5818949024774331 Energy: 0.6162279566422278 Energy: 0.5818949024768322 Energy: 0.6162279566428287 Energy: 0.5818949024774331 Energy: 0.6162279566422278 Energy: 0.5882441874178348 Energy: 0.506545907006664 Energy: 0.5882441874172337 Energy: 0.5065459070072651 Energy: 0.5882441874172337 Energy: 0.506545907006664 Energy: 0.6160211173394992 Energy: 0.56556011127252 Energy: 0.6160211173388982 Energy: 0.56556011127252 Energy: 0.6160211173388982 Energy: 0.565560111273121 Energy: 0.5045564837929938 Energy: 0.5796245271754478 Energy: 0.5045564837923928 Energy: 0.5796245271754478 Energy: 0.504556483789989 Energy: 0.5796245271754478 Energy: 0.6355808608552455 Energy: 0.5164339885624958 Energy: 0.6355808608552455 Energy: 0.5164339885624958 Energy: 0.6355808608558464 Energy: 0.5164339885630966 Energy: 0.6221851793009101 Energy: 0.6485923477345219 Energy: 0.6221851793009101 Energy: 0.6485923477339209 Energy: 0.6221851793003091 Energy: 0.6485923477339209 Energy: 0.5461233051737912 Energy: 0.548444521501256 Energy: 0.5461233051737912 Energy: 0.548444521501256 Energy: 0.54612330517319 Energy: 0.548444521501256 minimum gb energy = 0.504556483789989 eV minimum distance = 2.71970479938275 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 0.7012287322100125 Energy: 0.6019879075571406 Energy: 0.7012287322100125 Energy: 0.6019879075567593 Energy: 0.7012287322103937 Energy: 0.6019879075571406 Energy: 0.6132030039323758 Energy: 0.6348555578295711 Energy: 0.613203003932757 Energy: 0.6348555578295711 Energy: 0.6132030039323758 Energy: 0.6348555578295711 Energy: 0.6656064791968227 Energy: 0.6352373987020197 Energy: 0.6656064791964413 Energy: 0.6352373987016383 Energy: 0.665606479197204 Energy: 0.6352373987024008 Energy: 0.6626932138935877 Energy: 0.6274589899078644 Energy: 0.6626932138932065 Energy: 0.6274589899078644 Energy: 0.662693213893969 Energy: 0.6274589899074832 Energy: 0.5936419169750866 Energy: 0.6398433941393735 Energy: 0.593641916975468 Energy: 0.6398433941397548 Energy: 0.5936419169743241 Energy: 0.6398433941386109 Energy: 0.658452747884445 Energy: 0.6863197041871079 Energy: 0.6584527478848262 Energy: 0.6863197041867266 Energy: 0.6584527478840637 Energy: 0.6863197041871079 Energy: 0.6114100018783881 Energy: 0.5965278383234639 Energy: 0.6114100018787694 Energy: 0.5965278383219389 Energy: 0.6114100018783881 Energy: 0.5965278383219389 Energy: 0.6217149222513796 Energy: 0.6690278279152234 Energy: 0.6217149222517608 Energy: 0.6690278279156047 Energy: 0.6217149222513796 Energy: 0.6690278279156047 Energy: 0.6358635872753086 Energy: 0.6753827270642127 Energy: 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0.6335784211419054 Energy: 0.6371551515386159 Energy: 0.6335784211419054 Energy: 0.662586043577013 Energy: 0.6752640605539343 Energy: 0.6625860435773944 Energy: 0.675264060553553 Energy: 0.662586043577013 Energy: 0.675264060553553 Energy: 0.5851137883597601 Energy: 0.6646855652590659 Energy: 0.5851137883597601 Energy: 0.6646855652590659 Energy: 0.585113788359379 Energy: 0.664685565259447 Energy: 0.680354626398973 Energy: 0.6747361660028561 Energy: 0.680354626398973 Energy: 0.6747361660028561 Energy: 0.6803546263985918 Energy: 0.6747361660028561 Energy: 0.6140579861786138 Energy: 0.6245739039138435 Energy: 0.6140579861793763 Energy: 0.6245739039142247 Energy: 0.6140579861786138 Energy: 0.6245739039142247 Energy: 0.624980474316104 Energy: 0.6334398866294991 Energy: 0.624980474316104 Energy: 0.6334398866294991 Energy: 0.6249804743164852 Energy: 0.6334398866294991 Energy: 0.6576391415202717 Energy: 0.6706782200431131 Energy: 0.6576391415198904 Energy: 0.6706782200431131 Energy: 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0.6152211875082845 Energy: 0.6115156799370399 Energy: 0.6920378307820358 Energy: 0.6115156799366587 Energy: 0.6920378307820358 Energy: 0.6115156799397087 Energy: 0.6920378307816546 Energy: 0.633150844245044 Energy: 0.6400059376893925 Energy: 0.633150844245044 Energy: 0.6400059376893925 Energy: 0.6331508442454252 Energy: 0.6400059376890113 Energy: 0.6127470941609243 Energy: 0.5973190765445004 Energy: 0.6127470941609243 Energy: 0.5973190765441191 Energy: 0.6127470941609243 Energy: 0.5973190765445004 Energy: 0.6876385173398573 Energy: 0.6947120448427201 Energy: 0.6876385173387135 Energy: 0.6947120448427201 Energy: 0.6876385173402384 Energy: 0.6947120448427201 Energy: 0.592709088944523 Energy: 0.6334636205205584 Energy: 0.592709088944523 Energy: 0.633463620520177 Energy: 0.5927090889437606 Energy: 0.633463620520177 Energy: 0.6598648983341483 Energy: 0.646701472641053 Energy: 0.6598648983345295 Energy: 0.6467014726406718 Energy: 0.6598648983345295 Energy: 0.646701472641053 Energy: 0.6356668299773063 Energy: 0.6349752975755631 Energy: 0.6356668299776875 Energy: 0.6349752975755631 Energy: 0.6356668299776875 Energy: 0.6349752975755631 Energy: 0.6262523865564739 Energy: 0.6609191383662353 Energy: 0.6262523865564739 Energy: 0.6609191383662353 Energy: 0.6262523865564739 Energy: 0.6609191383662353 Energy: 0.6976351819419936 Energy: 0.6035855381483748 Energy: 0.6976351819408497 Energy: 0.6035855381483748 Energy: 0.697635181941231 Energy: 0.6035855381483748 Energy: 0.6142421614048011 Energy: 0.631232291731848 Energy: 0.6142421614044199 Energy: 0.6312322917326106 Energy: 0.6142421614044199 Energy: 0.6312322917326106 minimum gb energy = 0.5605813370858584 eV minimum distance = 2.67996769070247 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.7355511192748285 Energy: 0.7119888344465027 Energy: 0.7355511192748285 Energy: 0.7119888344465027 Energy: 0.7355511192748285 Energy: 0.7119888344465027 Energy: 0.6999305303543671 Energy: 0.724814148864824 Energy: 0.6999305303543671 Energy: 0.724814148864824 Energy: 0.6999305303543671 Energy: 0.724814148864824 Energy: 0.7884205906793589 Energy: 0.7325114334228807 Energy: 0.7884205906793589 Energy: 0.7325114334228807 Energy: 0.7884205906793589 Energy: 0.7325114334228807 Energy: 0.746256504010485 Energy: 0.7393526346849499 Energy: 0.746256504010485 Energy: 0.7393526346849499 Energy: 0.746256504010485 Energy: 0.7393526346849499 Energy: 0.6888737725985136 Energy: 0.7207576399933127 Energy: 0.6888737725985136 Energy: 0.7207576399933127 Energy: 0.6888737725985136 Energy: 0.7207576399933127 Energy: 0.7769473621405396 Energy: 0.761489553121368 Energy: 0.7769473621394987 Energy: 0.761489553122409 Energy: 0.7769473621394987 Energy: 0.761489553122409 Energy: 0.7425230868496608 Energy: 0.6943451943270105 Energy: 0.7425230868496608 Energy: 0.6943451943270105 Energy: 0.7425230868496608 Energy: 0.6943451943270105 Energy: 0.7317797174163821 Energy: 0.733868344482396 Energy: 0.7317797174163821 Energy: 0.733868344482396 Energy: 0.7317797174163821 Energy: 0.733868344482396 Energy: 0.7019556413461272 Energy: 0.6900371644959967 Energy: 0.7019556413461272 Energy: 0.6900371644959967 Energy: 0.7019556413461272 Energy: 0.6900371644959967 Energy: 0.740762781225965 Energy: 0.7143213905175777 Energy: 0.740762781225965 Energy: 0.7143213905175777 Energy: 0.740762781225965 Energy: 0.7143213905175777 Energy: 0.7019218157227664 Energy: 0.732253884709313 Energy: 0.7019218157227664 Energy: 0.7322538847103539 Energy: 0.7019218157227664 Energy: 0.732253884709313 Energy: 0.7343347339556895 Energy: 0.7255363251098216 Energy: 0.7343347339567304 Energy: 0.7255363251087806 Energy: 0.7343347339556895 Energy: 0.7255363251087806 Energy: 0.7555366747815421 Energy: 0.7648264825489253 Energy: 0.7555366747815421 Energy: 0.7648264825478842 Energy: 0.7555366747815421 Energy: 0.7648264825478842 Energy: 0.68694900970975 Energy: 0.7213507223316825 Energy: 0.68694900970975 Energy: 0.7213507223316825 Energy: 0.68694900970975 Energy: 0.7213507223316825 minimum gb energy = 0.68694900970975 eV minimum distance = 2.64588783016165 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 0.8233384301138881 Energy: 0.8195380797214546 Energy: 0.8233384301143453 Energy: 0.8195380797209975 Energy: 0.8233384301138881 Energy: 0.8195380797214546 Energy: 0.7501030858271786 Energy: 0.7929604967118298 Energy: 0.7501030858271786 Energy: 0.7929604967118298 Energy: 0.7501030858271786 Energy: 0.7929604967118298 Energy: 0.8008396722900737 Energy: 0.7865199935645206 Energy: 0.800839672290531 Energy: 0.7865199935640633 Energy: 0.800839672290531 Energy: 0.7865199935645206 Energy: 0.7907098468858275 Energy: 0.7750435242978834 Energy: 0.7907098468858275 Energy: 0.7750435242978834 Energy: 0.7907098468858275 Energy: 0.7750435242978834 Energy: 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0.7868189793141626 Energy: 0.7916354089926663 Energy: 0.7868189793141626 Energy: 0.8142543011056181 Energy: 0.804224454113267 Energy: 0.8142543011056181 Energy: 0.804224454113267 Energy: 0.8142543011056181 Energy: 0.804224454113267 Energy: 0.7860201895221239 Energy: 0.7875946262428412 Energy: 0.7860201895221239 Energy: 0.7875946262432985 Energy: 0.7860201895221239 Energy: 0.7875946262432985 Energy: 0.7814538256817443 Energy: 0.788001186158973 Energy: 0.7814538256817443 Energy: 0.788001186158973 Energy: 0.7814538256817443 Energy: 0.7880011861585157 Energy: 0.7765161548562994 Energy: 0.814002353545738 Energy: 0.7765161548553847 Energy: 0.814002353545738 Energy: 0.7765161548562994 Energy: 0.814002353545738 Energy: 0.7882587710165159 Energy: 0.7698798612815774 Energy: 0.7882587710160586 Energy: 0.7698798612815774 Energy: 0.7882587710165159 Energy: 0.7698798612815774 Energy: 0.7832386247526018 Energy: 0.7928504137189434 Energy: 0.7832386247526018 Energy: 0.792850413718486 Energy: 0.7832386247526018 Energy: 0.7928504137198579 Energy: 0.7720980198199475 Energy: 0.7466587200883199 Energy: 0.7720980198199475 Energy: 0.7466587200878627 Energy: 0.7720980198204049 Energy: 0.7466587200883199 Energy: 0.7871816030101259 Energy: 0.8150381362295984 Energy: 0.787181603010583 Energy: 0.8150381362295984 Energy: 0.7871816030101259 Energy: 0.8150381362291412 minimum gb energy = 0.7466587200878627 eV minimum distance = 2.61861404502164 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 0.7405036212584082 Energy: 0.7311163747722731 Energy: 0.7405036212584082 Energy: 0.7311163747722731 Energy: 0.7405036212575945 Energy: 0.7311163747722731 Energy: 0.7755183889059122 Energy: 0.7270776186068997 Energy: 0.7755183889059122 Energy: 0.7270776186077136 Energy: 0.7755183889059122 Energy: 0.7270776186077136 Energy: 0.7952128517463877 Energy: 0.7827313273141704 Energy: 0.7952128517472016 Energy: 0.7827313273141704 Energy: 0.7952128517472016 Energy: 0.7827313273141704 Energy: 0.7296942744671083 Energy: 0.7642816787515984 Energy: 0.7296942744671083 Energy: 0.7642816787515984 Energy: 0.7296942744671083 Energy: 0.7642816787515984 Energy: 0.7952229119958877 Energy: 0.7827542001325979 Energy: 0.7952229119958877 Energy: 0.7827542001325979 Energy: 0.7952229119950738 Energy: 0.7827542001325979 Energy: 0.7754909721512331 Energy: 0.7505041187084598 Energy: 0.7754909721512331 Energy: 0.7505041187084598 Energy: 0.7754909721512331 Energy: 0.7505041187092736 Energy: 0.7405036212575945 Energy: 0.7311163747730868 Energy: 0.7405036212575945 Energy: 0.7311163747730868 Energy: 0.7405036212575945 Energy: 0.7311163747730868 Energy: 0.7755183889067259 Energy: 0.7270776186093411 Energy: 0.7755183889067259 Energy: 0.7270776186093411 Energy: 0.7755183889067259 Energy: 0.7270776186085273 Energy: 0.7952128517472016 Energy: 0.7827313273149841 Energy: 0.7952128517472016 Energy: 0.7827313273149841 Energy: 0.7952128517472016 Energy: 0.7827313273149841 Energy: 0.7296942744662946 Energy: 0.8293122362601242 Energy: 0.7296942744662946 Energy: 0.8293122362609379 Energy: 0.7296942744662946 Energy: 0.8293122362617517 Energy: 0.7952229119958877 Energy: 0.7827542001334116 Energy: 0.7952229119958877 Energy: 0.7827542001334116 Energy: 0.7952229119958877 Energy: 0.7827542001334116 Energy: 0.7754909721520468 Energy: 0.7505041187084598 Energy: 0.7754909721512331 Energy: 0.7505041187084598 Energy: 0.7754909721512331 Energy: 0.7505041187084598 Energy: 0.7405036212584082 Energy: 0.7311163747722731 Energy: 0.7405036212584082 Energy: 0.7311163747722731 Energy: 0.7405036212584082 Energy: 0.7311163747722731 Energy: 0.7755183889059122 Energy: 0.7270776186085273 Energy: 0.7755183889067259 Energy: 0.7270776186085273 Energy: 0.7755183889059122 Energy: 0.7270776186085273 Energy: 0.7952128517463877 Energy: 0.7827313273141704 Energy: 0.7952128517472016 Energy: 0.7827313273141704 Energy: 0.7952128517472016 Energy: 0.7827313273141704 Energy: 0.7296942744671083 Energy: 0.8293122362609379 Energy: 0.7296942744671083 Energy: 0.8293122362609379 Energy: 0.7296942744671083 Energy: 0.8293122362609379 Energy: 0.7952229119950738 Energy: 0.7827542001325979 Energy: 0.7952229119958877 Energy: 0.7827542001325979 Energy: 0.7952229119958877 Energy: 0.7827542001325979 minimum gb energy = 0.7270776186068997 eV minimum distance = 2.67764691955175 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 0.8156101627032999 Energy: 0.7626353753010163 Energy: 0.8156101627032999 Energy: 0.7626353753010163 Energy: 0.8156101627039642 Energy: 0.7626353753023452 Energy: 0.792343166150321 Energy: 0.7620041150140355 Energy: 0.792343166150321 Energy: 0.7620041150140355 Energy: 0.792343166150321 Energy: 0.7620041150140355 Energy: 0.7884310418387916 Energy: 0.7927112814853221 Energy: 0.7884310418387916 Energy: 0.7927112814859867 Energy: 0.7884310418387916 Energy: 0.7927112814853221 Energy: 0.7908270433408944 Energy: 0.8512847154396851 Energy: 0.7908270433408944 Energy: 0.8512847154396851 Energy: 0.7908270433415591 Energy: 0.8512847154396851 Energy: 0.7854081732804953 Energy: 0.7671342152424776 Energy: 0.7854081732798308 Energy: 0.7671342152418131 Energy: 0.7854081732804953 Energy: 0.7671342152418131 Energy: 0.8009495758283264 Energy: 0.7910946549248783 Energy: 0.8009495758283264 Energy: 0.7910946549248783 Energy: 0.8009495758283264 Energy: 0.7910946549248783 Energy: 0.7829458694422179 Energy: 0.8068594137427686 Energy: 0.7829458694422179 Energy: 0.8068594137434331 Energy: 0.7829458694422179 Energy: 0.8068594137434331 Energy: 0.7843169425980099 Energy: 0.8103521446935521 Energy: 0.7843169425986442 Energy: 0.8103521446935521 Energy: 0.7843169425986442 Energy: 0.8103521446935521 Energy: 0.8570719761657404 Energy: 0.7943863736475164 Energy: 0.8570719761657404 Energy: 0.7943863736475164 Energy: 0.8570719761657404 Energy: 0.7943863736468519 Energy: 0.784704397701306 Energy: 0.7855128716918163 Energy: 0.7847043977006416 Energy: 0.7855128716911518 Energy: 0.7847043977006416 Energy: 0.7855128716924806 Energy: 0.7805451951925514 Energy: 0.7905133758949846 Energy: 0.7805451951918869 Energy: 0.7905133758956492 Energy: 0.7805451951918869 Energy: 0.7905133758949846 Energy: 0.8326763067311942 Energy: 0.7904965335425147 Energy: 0.8326763067305298 Energy: 0.7904965335425147 Energy: 0.8326763067311942 Energy: 0.7904965335425147 Energy: 0.7861249019687643 Energy: 0.8281972785778727 Energy: 0.7861249019687643 Energy: 0.8281972785778727 Energy: 0.7861249019687643 Energy: 0.8281972785778727 Energy: 0.7955100806017268 Energy: 0.7833360064421299 Energy: 0.7955100806017268 Energy: 0.7833360064414956 Energy: 0.7955100806017268 Energy: 0.7833360064414956 Energy: 0.8048874446831161 Energy: 0.784716761519457 Energy: 0.8048874446817873 Energy: 0.784716761519457 Energy: 0.8048874446824517 Energy: 0.784716761519457 Energy: 0.819411201393402 Energy: 0.7891952295166645 Energy: 0.8194112013940662 Energy: 0.7891952295179935 Energy: 0.8194112013940662 Energy: 0.7891952295173289 Energy: 0.77675688210175 Energy: 0.7894761197671084 Energy: 0.7767568821010856 Energy: 0.789476119766444 Energy: 0.7767568821010856 Energy: 0.7894761197671084 Energy: 0.8855390797021604 Energy: 0.785768513579571 Energy: 0.8855390797028247 Energy: 0.785768513579571 Energy: 0.8855390797021604 Energy: 0.785768513579571 Energy: 0.7852023906445093 Energy: 0.7833075881164318 Energy: 0.7852023906438448 Energy: 0.7833075881170961 Energy: 0.7852023906445093 Energy: 0.7833075881164318 Energy: 0.7880181903013986 Energy: 0.7693707540924805 Energy: 0.7880181903013986 Energy: 0.7693707540924805 Energy: 0.7880181903013986 Energy: 0.7693707540931448 Energy: 0.8352849717694284 Energy: 0.7936849576050339 Energy: 0.8352849717694284 Energy: 0.7936849576050339 Energy: 0.8352849717694284 Energy: 0.7936849576056982 minimum gb energy = 0.7620041150140355 eV minimum distance = 2.63878136086902 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 0.8023948111426086 Energy: 0.77390157899462 Energy: 0.8023948111431685 Energy: 0.77390157899462 Energy: 0.8023948111426086 Energy: 0.77390157899462 Energy: 0.7871281521815555 Energy: 0.7439817579550128 Energy: 0.7871281521815555 Energy: 0.7439817579550128 Energy: 0.7871281521815555 Energy: 0.7439817579550128 Energy: 0.7469462541104409 Energy: 0.7823949488056552 Energy: 0.7469462541104409 Energy: 0.7823949488062152 Energy: 0.7469462541104409 Energy: 0.7823949488062152 Energy: 0.745528811496843 Energy: 0.7477740903042847 Energy: 0.745528811496283 Energy: 0.7477740903048448 Energy: 0.745528811496283 Energy: 0.7477740903048448 Energy: 0.744478024670953 Energy: 0.7515053808987686 Energy: 0.7444780246715131 Energy: 0.7515053808987686 Energy: 0.744478024670953 Energy: 0.7515053808987686 Energy: 0.7497762347792409 Energy: 0.7439516725067543 Energy: 0.7497762347792409 Energy: 0.7439516725067543 Energy: 0.7497762347792409 Energy: 0.7439516725073144 Energy: 0.765959405108802 Energy: 0.7656049104064007 Energy: 0.765959405108802 Energy: 0.7656049104064007 Energy: 0.765959405108802 Energy: 0.7656049104069608 Energy: 0.7876986372051886 Energy: 0.7468110202966305 Energy: 0.7876986372051886 Energy: 0.7468110202966305 Energy: 0.7876986372051886 Energy: 0.7468110202966305 Energy: 0.767501768207012 Energy: 0.7442294218552983 Energy: 0.767501768207012 Energy: 0.7442294218552983 Energy: 0.767501768207012 Energy: 0.7442294218552983 Energy: 0.7457063508469198 Energy: 0.771960703180101 Energy: 0.7457063508469198 Energy: 0.771960703180661 Energy: 0.7457063508463597 Energy: 0.771960703180661 Energy: 0.7454050446691521 Energy: 0.7563421700446633 Energy: 0.7454050446691521 Energy: 0.7563421700446633 Energy: 0.7454050446691521 Energy: 0.7563421700446633 Energy: 0.764861817388559 Energy: 0.7703562419843063 Energy: 0.764861817387999 Energy: 0.7703562419843063 Energy: 0.7648618173874389 Energy: 0.7703562419843063 Energy: 0.7915552187714587 Energy: 0.7474013874322353 Energy: 0.7915552187708987 Energy: 0.7474013874322353 Energy: 0.7915552187708987 Energy: 0.7474013874316753 Energy: 0.7659524853525299 Energy: 0.7648787577389236 Energy: 0.7659524853525299 Energy: 0.7648787577389236 Energy: 0.7659524853519698 Energy: 0.7648787577389236 Energy: 0.749949027875712 Energy: 0.743700569349897 Energy: 0.749949027875712 Energy: 0.743700569350457 Energy: 0.749949027875712 Energy: 0.743700569350457 Energy: 0.744433073221068 Energy: 0.75206826017001 Energy: 0.744433073221068 Energy: 0.75206826017001 Energy: 0.744433073221068 Energy: 0.75206826017001 Energy: 0.7656903782762302 Energy: 0.7478928519369594 Energy: 0.7656903782756702 Energy: 0.7478928519363993 Energy: 0.7656903782756702 Energy: 0.7478928519369594 Energy: 0.7470944065712088 Energy: 0.7818496172385724 Energy: 0.7470944065712088 Energy: 0.7818496172380123 Energy: 0.7470944065706489 Energy: 0.7818496172385724 Energy: 0.7280552757668816 Energy: 0.7441391364269856 Energy: 0.7280552757674416 Energy: 0.7441391364269856 Energy: 0.7280552757680017 Energy: 0.7441391364269856 Energy: 0.8023948111426086 Energy: 0.7739015789963002 Energy: 0.8023948111426086 Energy: 0.7739015789968602 Energy: 0.8023948111420485 Energy: 0.7739015789968602 Energy: 0.7871281521798753 Energy: 0.7439817579550128 Energy: 0.7871281521804355 Energy: 0.7439817579550128 Energy: 0.7871281521798753 Energy: 0.7439817579550128 Energy: 0.7469462541082006 Energy: 0.7823949488067752 Energy: 0.7469462541082006 Energy: 0.7823949488067752 Energy: 0.7469462541076406 Energy: 0.7823949488073353 Energy: 0.745528811496283 Energy: 0.7477740903026047 Energy: 0.745528811496283 Energy: 0.7477740903026047 Energy: 0.7455288114957229 Energy: 0.7477740903020446 Energy: 0.7444780246698329 Energy: 0.7515053808982085 Energy: 0.744478024670393 Energy: 0.7515053808976485 Energy: 0.744478024670393 Energy: 0.7515053808976485 Energy: 0.7497762347775608 Energy: 0.7439516725067543 Energy: 0.7497762347775608 Energy: 0.7439516725073144 Energy: 0.7497762347781209 Energy: 0.7439516725067543 minimum gb energy = 0.7280552757668816 eV minimum distance = 2.67094076214699 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 0.7708766822748553 Energy: 0.7732824465825144 Energy: 0.7708766822748553 Energy: 0.7732824465825144 Energy: 0.7708766822748553 Energy: 0.773282446582031 Energy: 0.779903597032771 Energy: 0.7586654922329962 Energy: 0.779903597032771 Energy: 0.7586654922329962 Energy: 0.779903597032771 Energy: 0.7586654922329962 Energy: 0.7827063495928344 Energy: 0.7407480164981519 Energy: 0.7827063495928344 Energy: 0.7407480164981519 Energy: 0.7827063495923507 Energy: 0.7407480164981519 Energy: 0.7536498628117999 Energy: 0.7889111572964848 Energy: 0.7536498628117999 Energy: 0.7889111572964848 Energy: 0.7536498628117999 Energy: 0.7889111572969683 Energy: 0.7569407642436872 Energy: 0.78741411653522 Energy: 0.7569407642432036 Energy: 0.78741411653522 Energy: 0.7569407642432036 Energy: 0.78741411653522 Energy: 0.7840958998872314 Energy: 0.7517597644184413 Energy: 0.7840958998877149 Energy: 0.7517597644184413 Energy: 0.7840958998877149 Energy: 0.7517597644184413 Energy: 0.7446564852279068 Energy: 0.7728121902396975 Energy: 0.7446564852274234 Energy: 0.7728121902396975 Energy: 0.7446564852279068 Energy: 0.7728121902392141 Energy: 0.7710484789101657 Energy: 0.7776128321776669 Energy: 0.7710484789101657 Energy: 0.7776128321776669 Energy: 0.7710484789101657 Energy: 0.7776128321776669 Energy: 0.8154256852050217 Energy: 0.7385955647206723 Energy: 0.8154256852050217 Energy: 0.7385955647206723 Energy: 0.8154256852050217 Energy: 0.7385955647206723 Energy: 0.7850421594996926 Energy: 0.7740241124080955 Energy: 0.7850421594996926 Energy: 0.7740241124080955 Energy: 0.7850421594996926 Energy: 0.7740241124080955 Energy: 0.7423840452344288 Energy: 0.7797810031902404 Energy: 0.7423840452344288 Energy: 0.7797810031902404 Energy: 0.7423840452344288 Energy: 0.7797810031902404 Energy: 0.7815128209837674 Energy: 0.7387071952343054 Energy: 0.7815128209842508 Energy: 0.738707195233822 Energy: 0.7815128209842508 Energy: 0.738707195233822 Energy: 0.7811957174901795 Energy: 0.7621790758829751 Energy: 0.7811957174901795 Energy: 0.7621790758829751 Energy: 0.7811957174901795 Energy: 0.7621790758829751 Energy: 0.7480976628862724 Energy: 0.7909574508789224 Energy: 0.7480976628862724 Energy: 0.7909574508779555 Energy: 0.7480976628862724 Energy: 0.7909574508789224 Energy: 0.7860609658485368 Energy: 0.7336966283202931 Energy: 0.7860609658485368 Energy: 0.7336966283202931 Energy: 0.7860609658485368 Energy: 0.7336966283202931 Energy: 0.7801049682465561 Energy: 0.7415358137713547 Energy: 0.7801049682465561 Energy: 0.7415358137713547 Energy: 0.7801049682465561 Energy: 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0.8063391230608681 Energy: 0.7761195905975327 Energy: 0.8063391230608681 Energy: 0.7761195905975327 Energy: 0.8063391230608681 Energy: 0.7761195905975327 Energy: 0.7746222351613912 Energy: 0.774569676805614 Energy: 0.7746222351613912 Energy: 0.774569676805614 Energy: 0.7746222351618746 Energy: 0.7745696768070642 Energy: 0.7797120924495425 Energy: 0.7400717599203035 Energy: 0.7797120924495425 Energy: 0.740071759920787 Energy: 0.7797120924495425 Energy: 0.740071759920787 Energy: 0.777721091021374 Energy: 0.7601778683683514 Energy: 0.777721091021374 Energy: 0.7601778683683514 Energy: 0.777721091021374 Energy: 0.7601778683683514 Energy: 0.7461293427764994 Energy: 0.7917293499397461 Energy: 0.746129342776016 Energy: 0.7917293499397461 Energy: 0.7461293427764994 Energy: 0.7917293499397461 Energy: 0.7704230873508918 Energy: 0.7497104925429647 Energy: 0.7704230873508918 Energy: 0.7497104925429647 Energy: 0.7704230873508918 Energy: 0.7497104925429647 Energy: 0.792927751294343 Energy: 0.7490337765988729 Energy: 0.7929277512948264 Energy: 0.7490337765988729 Energy: 0.792927751294343 Energy: 0.7490337765983895 minimum gb energy = 0.7336966283202931 eV minimum distance = 2.62931741482985 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 0.7372779882775055 Energy: 0.789122018525235 Energy: 0.7372779882775055 Energy: 0.789122018525235 Energy: 0.7372779882775055 Energy: 0.789122018525235 Energy: 0.7489301543236196 Energy: 0.7379767987216027 Energy: 0.7489301543223448 Energy: 0.7379767987216027 Energy: 0.7489301543231949 Energy: 0.7379767987216027 Energy: 0.7738480137156004 Energy: 0.7095552037750065 Energy: 0.7738480137147503 Energy: 0.7095552037750065 Energy: 0.7738480137156004 Energy: 0.7095552037750065 Energy: 0.7064294838992135 Energy: 0.7598294567323624 Energy: 0.7064294838996383 Energy: 0.7598294567323624 Energy: 0.7064294838992135 Energy: 0.7598294567323624 Energy: 0.731187762263328 Energy: 0.7299172402467623 Energy: 0.7311877622629032 Energy: 0.7299172402467623 Energy: 0.731187762263328 Energy: 0.7299172402467623 Energy: 0.7748368967430129 Energy: 0.7091712156089894 Energy: 0.7748368967438628 Energy: 0.7091712156089894 Energy: 0.7748368967442878 Energy: 0.7091712156089894 Energy: 0.7372659450145357 Energy: 0.754039065097832 Energy: 0.7372659450153857 Energy: 0.754039065097832 Energy: 0.7372659450149607 Energy: 0.754039065097832 Energy: 0.7109832559197389 Energy: 0.7504202764271133 Energy: 0.7109832559201639 Energy: 0.7504202764271133 Energy: 0.7109832559197389 Energy: 0.7504202764266883 Energy: 0.781705782511504 Energy: 0.705825849532989 Energy: 0.781705782511504 Energy: 0.705825849532989 Energy: 0.781705782511504 Energy: 0.705825849533414 Energy: 0.7306411192857963 Energy: 0.7699732880060641 Energy: 0.7306411192857963 Energy: 0.7699732880056391 Energy: 0.7306411192853712 Energy: 0.7699732880060641 Energy: 0.708555511973795 Energy: 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0.7088763546722092 Energy: 0.7606261033012887 Energy: 0.7088763546722092 Energy: 0.7065799635502242 Energy: 0.7921547586383074 Energy: 0.7065799635506492 Energy: 0.7921547586383074 Energy: 0.7065799635510742 Energy: 0.7921547586383074 Energy: 0.7875516486764318 Energy: 0.7309079865941186 Energy: 0.7875516486764318 Energy: 0.7309079865941186 Energy: 0.7875516486760068 Energy: 0.7309079865941186 Energy: 0.7623363507550649 Energy: 0.7086242885363898 Energy: 0.7623363507550649 Energy: 0.7086242885363898 Energy: 0.7623363507550649 Energy: 0.7086242885363898 Energy: 0.7374035541999118 Energy: 0.7586877891470654 Energy: 0.737403554199487 Energy: 0.7586877891474901 Energy: 0.737403554199062 Energy: 0.7586877891470654 Energy: 0.7379056853216449 Energy: 0.7659104339414391 Energy: 0.7379056853212201 Energy: 0.7659104339414391 Energy: 0.7379056853212201 Energy: 0.7659104339414391 Energy: 0.7924794698507585 Energy: 0.704601091015864 Energy: 0.7924794698507585 Energy: 0.704601091015864 Energy: 0.7924794698511833 Energy: 0.704601091016289 Energy: 0.7087184690844462 Energy: 0.7591054106138839 Energy: 0.7087184690848712 Energy: 0.7591054106143089 Energy: 0.7087184690848712 Energy: 0.7591054106143089 Energy: 0.7058749884864457 Energy: 0.7526610026175081 Energy: 0.7058749884860207 Energy: 0.7526610026170831 Energy: 0.7058749884860207 Energy: 0.7526610026170831 Energy: 0.7615014831701432 Energy: 0.7050821245162783 Energy: 0.7615014831701432 Energy: 0.7050821245162783 Energy: 0.7615014831701432 Energy: 0.7050821245162783 Energy: 0.7611035750867811 Energy: 0.7090759249209895 Energy: 0.7611035750863561 Energy: 0.7090759249209895 Energy: 0.7611035750867811 Energy: 0.7090759249209895 minimum gb energy = 0.704601091015864 eV minimum distance = 2.64609171902691 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.011720671991866712 Energy: 0.6225024045610329 Energy: 0.011720671991866712 Energy: 0.6225024045610329 Energy: 0.011720671991866712 Energy: 0.6225024045610329 Energy: 0.012111718871939904 Energy: 0.2905114082279452 Energy: 0.012111718871939904 Energy: 0.29051140822898486 Energy: 0.012111718871939904 Energy: 0.2905114082286514 Energy: 0.6227734446901254 Energy: 0.2909225049499014 Energy: 0.6227734033814418 Energy: 0.2909225049499014 Energy: 0.6227734180963215 Energy: 0.29092250494852834 Energy: 0.012111718871233731 Energy: 0.2905114082279452 Energy: 0.012111718871233731 Energy: 0.2905114082286514 Energy: 0.012111718871233731 Energy: 0.2905114082279452 minimum gb energy = 0.011720671991866712 eV minimum distance = 2.85984085458652 Angstroms sigma value = 1