Model name: model_name=EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000 a1: a1=[-1, 1, 0] a2: a2=[0, 0, 1] a3: a3=[1, 1, 0] Species: species=Cu Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.615000158548355 cohesive_energy=3.5402784227038655 mass=63.546 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=180.0 Max. denominator: max_denominator=8 Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5 Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.01369168920417257 Energy: 0.7872608036150359 Energy: 0.01369168920417257 Energy: 0.7872608036153496 Energy: 0.01369168920417257 Energy: 0.7872608036153496 Energy: 0.7872608036150359 Energy: 0.8079548634711693 Energy: 0.7872608036150359 Energy: 0.8079548634708559 Energy: 0.7872608036150359 Energy: 0.8079548634705422 Energy: 0.01369168920417257 Energy: 0.7872608036150359 Energy: 0.01369168920417257 Energy: 0.7872608036153496 Energy: 0.01369168920417257 Energy: 0.7872608036153496 Energy: 0.7872608036153496 Energy: 0.8079548634708559 Energy: 0.7872608036153496 Energy: 0.8079548634708559 Energy: 0.7872608036150359 Energy: 0.8079548634702635 Energy: 0.01369168920417257 Energy: 0.7872608036150359 Energy: 0.01369168920417257 Energy: 0.7872608036153496 Energy: 0.01369168920417257 Energy: 0.7872608036153496 Energy: 0.7872608036153496 Energy: 0.8079548634705422 Energy: 0.7872608036153496 Energy: 0.8079548634708559 Energy: 0.7872608036153496 Energy: 0.8079548634708559 minimum gb energy = 0.01369168920417257 eV minimum distance = 2.34223179775351 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 0.9225483326079088 Energy: 0.8630809535576981 Energy: 0.9225483326079088 Energy: 0.8630809535599626 Energy: 0.9225483326079088 Energy: 0.8630809535599626 Energy: 0.9885875371671802 Energy: 0.8004174661455826 Energy: 0.9885875371649155 Energy: 0.8004174661455826 Energy: 0.9885875371656704 Energy: 0.8004174661455826 Energy: 0.8662970419953777 Energy: 0.9081164772915651 Energy: 0.8662970419961327 Energy: 0.9081164772930407 Energy: 0.8662970419953777 Energy: 0.9081164772960602 Energy: 0.9699128455348764 Energy: 0.8436551329975985 Energy: 0.9699128455371411 Energy: 0.8436551329975985 Energy: 0.9699128455409157 Energy: 0.8436551329975985 Energy: 0.8757913301486657 Energy: 0.951807399375874 Energy: 0.8757913301441362 Energy: 0.9518073993728544 Energy: 0.8757913301448914 Energy: 0.9518073993698349 Energy: 0.9175955042028259 Energy: 0.820925373366499 Energy: 0.917595504201316 Energy: 0.8209253733672539 Energy: 0.917595504201316 Energy: 0.8209253733695185 Energy: 0.8701734525519249 Energy: 0.907031921995657 Energy: 0.87017345255268 Energy: 0.9070319219979217 Energy: 0.8701734525489054 Energy: 0.907031921995657 Energy: 0.8428604779198129 Energy: 0.9770345679264034 Energy: 0.8428604779205678 Energy: 0.9770345679248936 Energy: 0.8428604779190578 Energy: 0.9770345679248936 Energy: 0.9350577710086926 Energy: 0.9132788799431377 Energy: 0.9350577710086926 Energy: 0.9132788799431377 Energy: 0.9350577710094476 Energy: 0.9132788799431377 Energy: 0.7915095453846066 Energy: 0.9646985716174076 Energy: 0.7915095453853616 Energy: 0.9646985716166527 Energy: 0.7915095453846066 Energy: 0.9646985716158978 Energy: 0.9555656618729244 Energy: 0.8204384028733178 Energy: 0.9555656618729244 Energy: 0.820438402872563 Energy: 0.9555656618706599 Energy: 0.820438402872563 Energy: 0.7711693024079216 Energy: 0.9314881159555503 Energy: 0.7711693024079216 Energy: 0.9314881159547954 Energy: 0.7711693024079216 Energy: 0.9314881159555503 Energy: 1.0017304948291021 Energy: 0.7663802150243799 Energy: 1.0017304948268375 Energy: 0.7663802150243799 Energy: 1.0017304948291021 Energy: 0.7663802150251348 Energy: 0.8340998644008767 Energy: 0.8483691609653746 Energy: 0.8340998644008767 Energy: 0.8483691609661297 Energy: 0.8340998644001562 Energy: 0.8483691609646198 Energy: 1.0245697888971736 Energy: 0.80173453859766 Energy: 1.0245697888986836 Energy: 0.80173453859766 Energy: 1.0245697888971736 Energy: 0.80173453859766 Energy: 1.0250283204137123 Energy: 0.9194489184958714 Energy: 1.025028320412957 Energy: 0.9194489184951166 Energy: 1.025028320412957 Energy: 0.9194489184966264 Energy: 0.8980502880622745 Energy: 0.8888835074213106 Energy: 0.8980502880637845 Energy: 0.8888835074220655 Energy: 0.8980502880630293 Energy: 0.8888835074228203 Energy: 0.8983131090698943 Energy: 0.8524023809868431 Energy: 0.8983131090698943 Energy: 0.8524023809845783 Energy: 0.8983131090706492 Energy: 0.8524023809853332 Energy: 0.7959353053580276 Energy: 0.843253690934752 Energy: 0.7959353053572726 Energy: 0.843253690935507 Energy: 0.7959353053580276 Energy: 0.843253690933997 Energy: 0.9181571283504232 Energy: 0.8211021230709279 Energy: 0.9181571283481584 Energy: 0.8211021230731926 Energy: 0.918157128351178 Energy: 0.8211021230747023 Energy: 0.8104632219690063 Energy: 0.9734734187437257 Energy: 0.8104632219690063 Energy: 0.9734734187459904 Energy: 0.8104632219690063 Energy: 0.9734734187429708 Energy: 0.9217292739651156 Energy: 0.908607673088757 Energy: 0.9217292739651156 Energy: 0.908607673088757 Energy: 0.9217292739651156 Energy: 0.908607673088757 Energy: 0.7592916306172071 Energy: 1.0552855784702555 Energy: 0.7592916306187167 Energy: 1.0552855784717652 Energy: 0.7592916306187167 Energy: 1.0552855784710102 minimum gb energy = 0.7592916306172071 eV minimum distance = 2.30680348000894 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 0.9249052768939049 Energy: 0.9604175489736559 Energy: 0.9249052768939049 Energy: 0.9604175489711186 Energy: 0.9249052768930461 Energy: 0.9604175489719774 Energy: 0.9224912160264875 Energy: 0.8536516871796632 Energy: 0.9224912160264875 Energy: 0.8536516871783751 Energy: 0.92249121602477 Energy: 0.8536516871783751 Energy: 0.7661268042629154 Energy: 0.852779038855316 Energy: 0.7661268042624859 Energy: 0.852779038849734 Energy: 0.7661268042624859 Energy: 0.8527790388505928 Energy: 0.9324034634883372 Energy: 0.9330934337141524 Energy: 0.9324034634870492 Energy: 0.9330934337235598 Energy: 0.9324034634870492 Energy: 0.9330934337218424 Energy: 0.8544000897334355 Energy: 0.8949176012850295 Energy: 0.8544000897338648 Energy: 0.8949176012854589 Energy: 0.8544000897355825 Energy: 0.8949176012841706 Energy: 0.8521363982472003 Energy: 0.7661865803581883 Energy: 0.8521363982476297 Energy: 0.7661865803581883 Energy: 0.8521363982472003 Energy: 0.7661865803585786 Energy: 0.963863295230357 Energy: 0.9246132902308619 Energy: 0.9638632952290689 Energy: 0.924613290234297 Energy: 0.9638632952260631 Energy: 0.9246132902291444 Energy: 0.7637640085004979 Energy: 0.9250494370907872 Energy: 0.7637640085013567 Energy: 0.925049437086064 Energy: 0.7637640085009274 Energy: 0.9250494370873522 Energy: 0.8123994731281762 Energy: 0.7687195666454667 Energy: 0.8123994731277467 Energy: 0.7687195666454667 Energy: 0.8123994731277467 Energy: 0.7687195666454667 Energy: 0.7515244503745798 Energy: 0.8616529155096067 Energy: 0.7515244503750093 Energy: 0.8616529155057423 Energy: 0.7515244503745798 Energy: 0.8616529155040248 Energy: 0.8637158241526772 Energy: 0.7534402177683721 Energy: 0.8637158241466657 Energy: 0.7534402177688014 Energy: 0.8637158241243771 Energy: 0.7534402177683721 Energy: 0.7665761200262897 Energy: 0.8107088735446567 Energy: 0.7665761200262897 Energy: 0.810708873545086 Energy: 0.7665761200258602 Energy: 0.8107088735446567 Energy: 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0.766468478290705 Energy: 0.8529831278918606 Energy: 0.8609602940639481 Energy: 0.8535309189557455 Energy: 0.8609602940626601 Energy: 0.8535309189587513 Energy: 0.8609602940635187 Energy: 0.8535309189583217 Energy: 0.9334972384511105 Energy: 0.9642413913289586 Energy: 0.9334972384506812 Energy: 0.9642413913319642 Energy: 0.9334972384511105 Energy: 0.9642413913319642 Energy: 0.9258334861149993 Energy: 0.763144388534484 Energy: 0.9258334861119936 Energy: 0.7631443885349133 Energy: 0.9258334861175754 Energy: 0.7631443885349133 Energy: 0.7665796383777683 Energy: 0.8107103027018044 Energy: 0.7665796383777683 Energy: 0.8107103027018044 Energy: 0.7665796383777683 Energy: 0.8107103027018044 minimum gb energy = 0.7503353635986197 eV minimum distance = 2.39345087123868 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 0.9011130684225676 Energy: 0.912955172847042 Energy: 0.9011130684235625 Energy: 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0.8510559479601609 Energy: 0.8630317610851367 Energy: 0.8405337002658111 Energy: 0.8630317610861316 Energy: 0.8405337002648161 Energy: 0.8630317610851367 Energy: 0.8405337002658111 Energy: 0.8995279321554221 Energy: 0.9044505691333312 Energy: 0.8995279321554221 Energy: 0.9044505691333312 Energy: 0.8995279321554221 Energy: 0.9044505691333312 Energy: 0.9092303984216356 Energy: 0.8732879645605381 Energy: 0.9092303984236253 Energy: 0.8732879645595433 Energy: 0.9092303984216356 Energy: 0.8732879645595433 Energy: 0.9104499720898661 Energy: 0.9498399478516636 Energy: 0.9104499720898661 Energy: 0.9498399478516636 Energy: 0.9104499720888711 Energy: 0.9498399478516636 Energy: 0.8904560013583869 Energy: 0.8775333534633127 Energy: 0.8904560013583869 Energy: 0.8775333534633127 Energy: 0.8904560013583869 Energy: 0.8775333534633127 minimum gb energy = 0.779199698427604 eV minimum distance = 2.28544196763428 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 0.7454298913384939 Energy: 0.7542953768767617 Energy: 0.7454298913384939 Energy: 0.7542953768773519 Energy: 0.745429891339084 Energy: 0.7542953768767617 Energy: 0.8269210963205545 Energy: 0.906831499924038 Energy: 0.8269210963223251 Energy: 0.906831499924038 Energy: 0.8269210963223251 Energy: 0.9068314999234479 Energy: 0.7128093896649147 Energy: 0.9048654444686578 Energy: 0.7128093896649147 Energy: 0.9048654444716084 Energy: 0.7128093896655047 Energy: 0.9048654444686578 Energy: 0.7811421988742787 Energy: 0.7129513455132747 Energy: 0.7811421988748689 Energy: 0.7129513455132747 Energy: 0.7811421988748689 Energy: 0.7129513455132747 Energy: 0.7343658313329547 Energy: 0.7426630024278764 Energy: 0.7343658313329547 Energy: 0.7426630024272863 Energy: 0.7343658313329547 Energy: 0.7426630024272863 Energy: 0.7343762778047421 Energy: 0.7427610177623826 Energy: 0.7343762778047421 Energy: 0.7427610177623826 Energy: 0.7343762778053323 Energy: 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0.7811421988742787 Energy: 0.712951345513865 Energy: 0.7811421988742787 Energy: 0.712951345513865 Energy: 0.7811421988748689 Energy: 0.7129513455132747 Energy: 0.7343658313329547 Energy: 0.7426630024272863 Energy: 0.7343658313329547 Energy: 0.7426630024272863 Energy: 0.7343658313329547 Energy: 0.7426630024278764 Energy: 0.7343762778047421 Energy: 0.7427610177629728 Energy: 0.7343762778053323 Energy: 0.7427610177629728 Energy: 0.7343762778053323 Energy: 0.7427610177623826 Energy: 0.7811611106941597 Energy: 0.7129297395341041 Energy: 0.7811611106941597 Energy: 0.7129297395335139 Energy: 0.7811611106941597 Energy: 0.7129297395335139 Energy: 0.7127887295735786 Energy: 0.9048408464647957 Energy: 0.7127887295735786 Energy: 0.9048408464642054 Energy: 0.7127887295735786 Energy: 0.9048408464636152 Energy: 0.8270352768235941 Energy: 0.9067723373058073 Energy: 0.8270352768253643 Energy: 0.906772337305244 Energy: 0.8270352768230039 Energy: 0.906772337304654 Energy: 0.7454298913384939 Energy: 0.7542953768767617 Energy: 0.7454298913384939 Energy: 0.7542953768767617 Energy: 0.7454298913384939 Energy: 0.7542953768767617 Energy: 0.8269210963217348 Energy: 0.906831499924038 Energy: 0.8269210963217348 Energy: 0.906831499924038 Energy: 0.8269210963217348 Energy: 0.9068314999234479 Energy: 0.7128093896649147 Energy: 0.9048654444692481 Energy: 0.7128093896649147 Energy: 0.9048654444716084 Energy: 0.7128093896649147 Energy: 0.9048654444692481 Energy: 0.7811421988742787 Energy: 0.7129513455132747 Energy: 0.7811421988736886 Energy: 0.712951345513865 Energy: 0.7811421988748689 Energy: 0.7129513455132747 Energy: 0.7343658313329547 Energy: 0.7426630024278764 Energy: 0.7343658313329547 Energy: 0.7426630024272863 Energy: 0.7343658313329547 Energy: 0.7426630024272863 Energy: 0.7343762778053323 Energy: 0.7427610177629728 Energy: 0.7343762778053323 Energy: 0.7427610177623826 Energy: 0.7343762778053323 Energy: 0.7427610177623826 Energy: 0.7811611106941597 Energy: 0.7129297395335139 Energy: 0.7811611106947498 Energy: 0.7129297395335139 Energy: 0.7811611106941597 Energy: 0.7129297395335139 Energy: 0.7127887295735786 Energy: 0.9048408464642054 Energy: 0.7127887295735786 Energy: 0.9048408464636152 Energy: 0.7127887295735786 Energy: 0.9048408464636152 Energy: 0.8270352768241841 Energy: 0.9067723373063974 Energy: 0.8270352768241841 Energy: 0.906772337305244 Energy: 0.8270352768253643 Energy: 0.906772337305244 Energy: 0.7454298913384939 Energy: 0.7542953768773519 Energy: 0.7454298913384939 Energy: 0.7542953768767617 Energy: 0.7454298913384939 Energy: 0.7542953768767617 Energy: 0.8269210963235053 Energy: 0.906831499924038 Energy: 0.826921096318194 Energy: 0.906831499924038 Energy: 0.8269210963217348 Energy: 0.9068314999234479 Energy: 0.7128093896649147 Energy: 0.9048654444686578 Energy: 0.7128093896649147 Energy: 0.9048654444710184 Energy: 0.7128093896655047 Energy: 0.9048654444698382 minimum gb energy = 0.7127887295735786 eV minimum distance = 2.30024209812674 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 0.7370573152577554 Energy: 0.714495845728828 Energy: 0.7370573152577554 Energy: 0.714495845728828 Energy: 0.7370573152577554 Energy: 0.714495845728828 Energy: 0.8394506542695179 Energy: 0.7403044542533982 Energy: 0.8394506542695179 Energy: 0.7403044542519527 Energy: 0.8394506542695179 Energy: 0.7403044542519527 Energy: 0.6888194478262519 Energy: 0.8185352509514813 Energy: 0.6888194478262519 Energy: 0.8185352509543723 Energy: 0.8105726687561782 Energy: 0.8185352509514813 Energy: 0.8265890226070643 Energy: 0.6944537023046288 Energy: 0.8265890226085099 Energy: 0.6944537023046288 Energy: 0.8265890226085099 Energy: 0.6944537023046288 Energy: 0.8242016015402395 Energy: 0.6943760173161749 Energy: 0.8242016015387941 Energy: 0.6943760173161749 Energy: 0.8242016015387941 Energy: 0.6943760173161749 Energy: 0.8394533208872856 Energy: 0.875359212219014 Energy: 0.8394533208872856 Energy: 0.875359212219014 Energy: 0.8394533208872856 Energy: 0.875359212219014 Energy: 0.8280213304953066 Energy: 0.7426465496844766 Energy: 0.6947858371374307 Energy: 0.7426465496844766 Energy: 0.6947858371374307 Energy: 0.7426465496844766 Energy: 0.7318639756230241 Energy: 0.717704811616216 Energy: 0.7318639756215786 Energy: 0.717704811616216 Energy: 0.7318639756215786 Energy: 0.717704811616216 Energy: 0.8392085897409154 Energy: 0.739215796606158 Energy: 0.8392085897409154 Energy: 0.739215796606158 Energy: 0.8392085897409154 Energy: 0.7392157966177221 Energy: 0.8032886809381724 Energy: 0.8448416670507326 Energy: 0.8032886809381724 Energy: 0.8448416670507326 Energy: 0.8032886809381724 Energy: 0.8448416670492871 Energy: 0.8496964269271079 Energy: 0.6952185226029335 Energy: 0.8496964269271079 Energy: 0.6952185226029335 Energy: 0.7772051439201859 Energy: 0.6952185226029335 Energy: 0.87149459888959 Energy: 0.7997504714961178 Energy: 0.87149459888959 Energy: 0.7997504714961178 Energy: 0.87149459888959 Energy: 0.7997504714961178 minimum gb energy = 0.6888194478262519 eV minimum distance = 2.28465263789968 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 0.7411476884416885 Energy: 0.7135912512182675 Energy: 0.7411476884416885 Energy: 0.7135912512182675 Energy: 0.7411476884416885 Energy: 0.7135912512182675 Energy: 0.7020307902282943 Energy: 0.6993440412226394 Energy: 0.7020307897699686 Energy: 0.6765108270477846 Energy: 0.7020307898422271 Energy: 0.6765108270477846 Energy: 0.6441914437663225 Energy: 0.7191255273077785 Energy: 0.6441914437671349 Energy: 0.7191255273081846 Energy: 0.6441914437671349 Energy: 0.7191255273081846 Energy: 0.6662434915810005 Energy: 0.6390330404885308 Energy: 0.6662434915810005 Energy: 0.6390330404885308 Energy: 0.6662434915810005 Energy: 0.6390330404885308 Energy: 0.6967226282919603 Energy: 0.6858973976507898 Energy: 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0.6662434915781574 Energy: 0.6390330404873124 Energy: 0.6662434915789697 Energy: 0.6390330404877186 Energy: 0.6967226282923664 Energy: 0.6858973976471344 Energy: 0.6967226282915541 Energy: 0.6858973976475405 Energy: 0.696722628291148 Energy: 0.6858973976471344 minimum gb energy = 0.6231198268680612 eV minimum distance = 2.35285506789052 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 0.32950853169344957 Energy: 0.33682186219514954 Energy: 0.32950853169437416 Energy: 0.3368218621960741 Energy: 0.32950853169437416 Energy: 0.3368218621960741 Energy: 0.40606459247767895 Energy: 0.3303433997629521 Energy: 0.40606459247767895 Energy: 0.3303433997629521 Energy: 0.40606459247767895 Energy: 0.3303433997620275 Energy: 0.36521949259838904 Energy: 0.40052246757363086 Energy: 0.36521949259931363 Energy: 0.40052246757363086 Energy: 0.36521949259838904 Energy: 0.40052246757363086 Energy: 0.33904194753058686 Energy: 0.3293356122258531 Energy: 0.33904194753058686 Energy: 0.32933561222862673 Energy: 0.33904194753058686 Energy: 0.32933561222955127 Energy: 0.4037359644482875 Energy: 0.4096061223166566 Energy: 0.40373596444921206 Energy: 0.40960612231573207 Energy: 0.4037359644482875 Energy: 0.40960612231573207 Energy: 0.32944718421303226 Energy: 0.3652064817050491 Energy: 0.32944718421303226 Energy: 0.3652064817041245 Energy: 0.32944718421303226 Energy: 0.3652064817050491 Energy: 0.32946072598390164 Energy: 0.3651822404020811 Energy: 0.32946072598390164 Energy: 0.3651822404020811 Energy: 0.32946072598390164 Energy: 0.3651822404020811 Energy: 0.4040605502346342 Energy: 0.40531398182660233 Energy: 0.4040605502346342 Energy: 0.40531398182660233 Energy: 0.4040605502346342 Energy: 0.40531398182660233 Energy: 0.33904864672254453 Energy: 0.32927437291806566 Energy: 0.33904864672254453 Energy: 0.32927437291806566 Energy: 0.33904864672254453 Energy: 0.329274372923613 Energy: 0.36522570067307797 Energy: 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0.40960612231573207 Energy: 0.40373596444921206 Energy: 0.40960612231573207 Energy: 0.403735964447363 Energy: 0.40960612231573207 Energy: 0.32944718421303226 Energy: 0.3652064817041245 Energy: 0.32944718421303226 Energy: 0.3652064817050491 Energy: 0.32944718421303226 Energy: 0.3652064817050491 Energy: 0.32946072598390164 Energy: 0.3651822404020811 Energy: 0.32946072598390164 Energy: 0.3651822404020811 Energy: 0.32946072598390164 Energy: 0.3651822404020811 Energy: 0.4040605502346342 Energy: 0.40531398182660233 Energy: 0.4040605502346342 Energy: 0.40531398182660233 Energy: 0.4040605502346342 Energy: 0.40531398182660233 minimum gb energy = 0.32927437291806566 eV minimum distance = 2.43967533429805 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 0.5712889122148088 Energy: 0.6980446006826814 Energy: 0.5712889122148088 Energy: 0.6980446006820041 Energy: 0.5712889122148088 Energy: 0.6980446006826814 Energy: 0.7079853720181934 Energy: 0.6032800596860561 Energy: 0.7079853720181934 Energy: 0.6032800596860561 Energy: 0.7079853720181934 Energy: 0.6032800596867334 Energy: 0.7178696486875785 Energy: 0.7951873631442757 Energy: 0.7178696486869013 Energy: 0.7951873631435984 Energy: 0.7178696486869013 Energy: 0.7951873631442757 Energy: 0.7569030730586968 Energy: 0.5381452181991649 Energy: 0.7569030730586968 Energy: 0.5381452181984876 Energy: 0.7569030730614058 Energy: 0.5381452181984876 Energy: 0.6793751100755101 Energy: 0.5211381275104234 Energy: 0.6793751100755101 Energy: 0.5211381275104234 Energy: 0.6793751100768647 Energy: 0.5211381275104234 Energy: 0.6523824223198778 Energy: 0.5315428013362968 Energy: 0.652382422320555 Energy: 0.5315428013362968 Energy: 0.6523824223212322 Energy: 0.5315428013356196 Energy: 0.5812230780791184 Energy: 0.5627535854750463 Energy: 0.5121868130242531 Energy: 0.5627535855075545 Energy: 0.5121868130235758 Energy: 0.562753585514327 Energy: 0.7155583882343901 Energy: 0.4976955292683138 Energy: 0.7155583882350673 Energy: 0.497695529268991 Energy: 0.7155583882343901 Energy: 0.4976955292683138 Energy: 0.7138689646859839 Energy: 0.5017090254419303 Energy: 0.7138689646866612 Energy: 0.5017090254426075 Energy: 0.7138689646853066 Energy: 0.5017090254419303 Energy: 0.5081578207912677 Energy: 0.7494365664477263 Energy: 0.5081578207912677 Energy: 0.7494365664450172 Energy: 0.5081578207919449 Energy: 0.7494365664429855 Energy: 0.6595801444609731 Energy: 0.6644822571653395 Energy: 0.6595801444602959 Energy: 0.6644822571660167 Energy: 0.6595801444623277 Energy: 0.6644822571660167 Energy: 0.5371368030054984 Energy: 0.5237013202630308 Energy: 0.5371368030048211 Energy: 0.5237013202623536 Energy: 0.5371368030054984 Energy: 0.5237013202637082 Energy: 0.6243467453158283 Energy: 0.5424047750092891 Energy: 0.6243467453178599 Energy: 0.5424047750086118 Energy: 0.6243467453165056 Energy: 0.5424047750092891 Energy: 0.7038539249007153 Energy: 0.7768333817134815 Energy: 0.7038539249020698 Energy: 0.776833381712127 Energy: 0.7038539249020698 Energy: 0.7768333817128042 Energy: 0.7072836703991213 Energy: 0.6054209439902657 Energy: 0.7072836703991213 Energy: 0.605420943990943 Energy: 0.7072836703991213 Energy: 0.6054209439902657 Energy: 0.551908363122536 Energy: 0.5613002013145941 Energy: 0.5519083631245677 Energy: 0.5613002013179804 Energy: 0.5519083631218588 Energy: 0.5613002013173032 Energy: 0.5784761524476663 Energy: 0.6026348236537984 Energy: 0.5784761524476663 Energy: 0.6026348236537984 Energy: 0.578476152446989 Energy: 0.6026348236544756 Energy: 0.8280631378665377 Energy: 0.5909186726038096 Energy: 0.8280631378665377 Energy: 0.590918672602455 Energy: 0.8280631378665377 Energy: 0.5909186726031324 Energy: 0.6510215100997797 Energy: 0.5347706604815256 Energy: 0.6510215101004571 Energy: 0.5347706604815256 Energy: 0.6510215100991025 Energy: 0.5347706604815256 Energy: 0.5366182400794121 Energy: 0.6322296237172886 Energy: 0.5366182400807665 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0.7370907244612727 Energy: 0.7685515184996997 Energy: 0.7370907244612727 Energy: 0.7685515185002741 Energy: 0.7370907244606981 Energy: 0.7047313605908548 Energy: 0.6732160251851719 Energy: 0.7047313605908548 Energy: 0.6732160251851719 Energy: 0.7047313605902804 Energy: 0.6732160251851719 Energy: 0.7708952841004045 Energy: 0.6835099825773062 Energy: 0.7708952202614456 Energy: 0.6835099825778805 Energy: 0.7708950293784056 Energy: 0.6835099825773062 Energy: 0.7124638455546287 Energy: 0.7549211190969732 Energy: 0.7124638455546287 Energy: 0.7549211190986964 Energy: 0.7124638455546287 Energy: 0.7549211190986964 Energy: 0.7536606869862895 Energy: 0.7711538292615112 Energy: 0.7536606869862895 Energy: 0.7711538292592137 Energy: 0.7536606869862895 Energy: 0.7711538292615112 Energy: 0.7170282453042576 Energy: 0.7326465806369187 Energy: 0.7170282453042576 Energy: 0.7326465806369187 Energy: 0.7170282453036831 Energy: 0.7326465806369187 minimum gb energy = 0.6458654093440985 eV minimum distance = 2.35903692904883 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 0.739974028857686 Energy: 0.6939098084584235 Energy: 0.7399740288584298 Energy: 0.6939098084584235 Energy: 0.7399740288584298 Energy: 0.6939098084584235 Energy: 0.7312514607283156 Energy: 0.6524549514219424 Energy: 0.7312514607283156 Energy: 0.6524549514219424 Energy: 0.7312514607283156 Energy: 0.6524549514211987 Energy: 0.738877024354077 Energy: 0.815037201892299 Energy: 0.7388770243525896 Energy: 0.8150372018937864 Energy: 0.7388770243503584 Energy: 0.8150372018930427 Energy: 0.8933310211864182 Energy: 0.7232721401099601 Energy: 0.8933310211864182 Energy: 0.7232721400973171 Energy: 0.8933310211864182 Energy: 0.7232721401084726 Energy: 0.6725733051828906 Energy: 0.7466806582029344 Energy: 0.6725733051828906 Energy: 0.7466806582081403 Energy: 0.6725733051828906 Energy: 0.746680658203678 Energy: 0.7083407607414255 Energy: 0.6525528690065238 Energy: 0.7083407607206017 Energy: 0.6525528690065238 Energy: 0.7083407607168831 Energy: 0.6525528690065238 Energy: 0.7315599221990546 Energy: 0.8108239128690871 Energy: 0.7315599221997984 Energy: 0.8108239128683433 Energy: 0.7315599221997984 Energy: 0.8108239128690871 Energy: 0.745617177780611 Energy: 0.6568241628085054 Energy: 0.745617177780611 Energy: 0.6568241628085054 Energy: 0.745617177780611 Energy: 0.6568241628085054 Energy: 0.685884487592321 Energy: 0.6539545068243234 Energy: 0.685884487592321 Energy: 0.6539545068250672 Energy: 0.685884487592321 Energy: 0.6539545068250672 Energy: 0.6035346839238189 Energy: 0.7296490652143219 Energy: 0.6035346839223316 Energy: 0.7296490652135782 Energy: 0.6035346839245627 Energy: 0.7296490652135782 Energy: 0.7315067716891916 Energy: 0.7245437798986689 Energy: 0.7315067716891916 Energy: 0.7245437798689206 Energy: 0.7315067716899353 Energy: 0.7245437798146636 Energy: 0.6712732286962916 Energy: 0.6552814529074756 Energy: 0.6712732286948042 Energy: 0.6553522253376066 Energy: 0.6712732286970353 Energy: 0.6551949330627441 Energy: 0.6929076887568673 Energy: 0.6539242256473093 Energy: 0.692907688750174 Energy: 0.6539242256473093 Energy: 0.692907688750174 Energy: 0.653924225648053 Energy: 0.741337615344308 Energy: 0.6691052427835023 Energy: 0.7413376153457953 Energy: 0.6691052427835023 Energy: 0.7413376153472827 Energy: 0.6691052427835023 Energy: 0.6960909581666074 Energy: 0.6456055557892741 Energy: 0.69609095816512 Energy: 0.6456055557892741 Energy: 0.6960909581666074 Energy: 0.6456055557907615 Energy: 0.6783984100123357 Energy: 0.6380902504038348 Energy: 0.6783984100130794 Energy: 0.638090250403091 Energy: 0.6783984100123357 Energy: 0.638090250403091 Energy: 0.6056037226180034 Energy: 0.7312328628221871 Energy: 0.6056037226180034 Energy: 0.7312328628214435 Energy: 0.6056037226172597 Energy: 0.7312328628214435 Energy: 0.7295123304008091 Energy: 0.6449731444376503 Energy: 0.7295123303993216 Energy: 0.6449731444376503 Energy: 0.7295123304000654 Energy: 0.7412483572312777 Energy: 0.6054906369027316 Energy: 0.7308437594172109 Energy: 0.6054906369027316 Energy: 0.7308437594164672 Energy: 0.6054906369034754 Energy: 0.7308437594164672 Energy: 0.6785145733354755 Energy: 0.6380097642724875 Energy: 0.6785145733354755 Energy: 0.6380097642710001 Energy: 0.6785145733354755 Energy: 0.6380097642717438 Energy: 0.6955585581275741 Energy: 0.6451118080163558 Energy: 0.6955585581275741 Energy: 0.6451118080185869 Energy: 0.6955585581268303 Energy: 0.6451118080170997 Energy: 0.7395675861331964 Energy: 0.731884469141505 Energy: 0.7395675861287342 Energy: 0.7318844691400175 Energy: 0.7395675861272468 Energy: 0.7318844691407611 Energy: 0.6928442116395686 Energy: 0.6537411912519427 Energy: 0.6928442116440309 Energy: 0.6537411912519427 Energy: 0.6928442116380812 Energy: 0.6537411912519427 Energy: 0.6717720956645237 Energy: 0.6556704009678558 Energy: 0.6717720956630363 Energy: 0.6553711951740213 Energy: 0.6717720956608051 Energy: 0.6555075889435189 minimum gb energy = 0.6035346839223316 eV minimum distance = 2.40224116317803 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 0.6813084486897285 Energy: 0.6691651199926437 Energy: 0.6813084486907802 Energy: 0.6691651199926437 Energy: 0.6813084486897285 Energy: 0.6691651199926437 Energy: 0.6378458281827417 Energy: 0.6569721895022869 Energy: 0.6378458281827417 Energy: 0.656972189501235 Energy: 0.6378458281827417 Energy: 0.6569721895022869 Energy: 0.7814379091861663 Energy: 0.7745288257513628 Energy: 0.7814379091861663 Energy: 0.7745288257513628 Energy: 0.7814379091861663 Energy: 0.7745288257513628 Energy: 0.5828148211811274 Energy: 0.7649728874048811 Energy: 0.5828148211800757 Energy: 0.7649728874059328 Energy: 0.5828148211811274 Energy: 0.7649728874059328 Energy: 0.6737516555281317 Energy: 0.7344712374266367 Energy: 0.6737516448038497 Energy: 0.7344712374266367 Energy: 0.6737516166217529 Energy: 0.7344712374266367 Energy: 0.6913788347503178 Energy: 0.7410678811901933 Energy: 0.6913788347503178 Energy: 0.7410678811901933 Energy: 0.6913788347503178 Energy: 0.7410678811901933 Energy: 0.6987147050364815 Energy: 0.6505039630121091 Energy: 0.6987147050364815 Energy: 0.6505039630121091 Energy: 0.6987147050364815 Energy: 0.6505039630121091 Energy: 0.5827011415427181 Energy: 0.7037973490075004 Energy: 0.5827011415416663 Energy: 0.7037973490075004 Energy: 0.5827011415427181 Energy: 0.7037973490075004 Energy: 0.7274286607232593 Energy: 0.6602689568582475 Energy: 0.7274286607222076 Energy: 0.6602689568582475 Energy: 0.7274286607232593 Energy: 0.6602689568582475 Energy: 0.6956476300170267 Energy: 0.6494720169206429 Energy: 0.6956476300170267 Energy: 0.6494720169206429 Energy: 0.6956476300170267 Energy: 0.6494720169206429 Energy: 0.6864799967897953 Energy: 0.6214794635658443 Energy: 0.6864799967897953 Energy: 0.621479463566896 Energy: 0.6864799967897953 Energy: 0.621479463566896 Energy: 0.6568054836705552 Energy: 0.6577147696943072 Energy: 0.6568054836695035 Energy: 0.6577147696932554 Energy: 0.6568054836695035 Energy: 0.6577147696932554 Energy: 0.6115556365468174 Energy: 0.7414436334894194 Energy: 0.6115556365468174 Energy: 0.7414436334894194 Energy: 0.6115556365457657 Energy: 0.7414436334894194 Energy: 0.6955173262652261 Energy: 0.7366068366194375 Energy: 0.6955173262652261 Energy: 0.7366068366194375 Energy: 0.6955173262652261 Energy: 0.7366068366194375 Energy: 0.6918841264583218 Energy: 0.6041327312342741 Energy: 0.69188412645727 Energy: 0.6041327312342741 Energy: 0.69188412645727 Energy: 0.6041327312332223 Energy: 0.6936750442382339 Energy: 0.7044891362042938 Energy: 0.6936750442392856 Energy: 0.7044891362042938 Energy: 0.6936750442392856 Energy: 0.7044891362042938 Energy: 0.6941694469888883 Energy: 0.6847549475149964 Energy: 0.6941694469878366 Energy: 0.6847549475202552 Energy: 0.6941694469878366 Energy: 0.6847549475170999 minimum gb energy = 0.5827011415416663 eV minimum distance = 2.32977914377045 Angstroms sigma value = 17 ======================================== theta = 97.054131382119 ======================================== Energy: 0.681782116910834 Energy: 0.6104550157364246 Energy: 0.6817821169120525 Energy: 0.6104550157364246 Energy: 0.681782116910834 Energy: 0.6104550157368308 Energy: 0.6272094792909383 Energy: 0.5911239773861101 Energy: 0.6272094792909383 Energy: 0.591123977385704 Energy: 0.6272094792909383 Energy: 0.591123977385704 Energy: 0.6401870549981339 Energy: 0.6483264971805203 Energy: 0.6401870549977277 Energy: 0.6483264971805203 Energy: 0.6401870550013832 Energy: 0.6483264971809264 Energy: 0.597587828529204 Energy: 0.6722705395003766 Energy: 0.5975878285287978 Energy: 0.6722705394979397 Energy: 0.5975878285283917 Energy: 0.6722705394967212 Energy: 0.6202893267698608 Energy: 0.5911506630426203 Energy: 0.6202893267678301 Energy: 0.5911506630426203 Energy: 0.6202893267670179 Energy: 0.5911506630426203 Energy: 0.656819282004032 Energy: 0.6494931759143067 Energy: 0.6568192820032197 Energy: 0.6494931759143067 Energy: 0.656819282004032 Energy: 0.649493175912276 Energy: 0.6251816082729248 Energy: 0.6248736394698815 Energy: 0.625181608273331 Energy: 0.6248736394706939 Energy: 0.6251816082729248 Energy: 0.6248736394706939 Energy: 0.6355057382752102 Energy: 0.6903701909409228 Energy: 0.6355057382760225 Energy: 0.6903701909392982 Energy: 0.635505738277241 Energy: 0.6903701909417351 Energy: 0.6409497025535295 Energy: 0.6569898442653836 Energy: 0.6409497025539357 Energy: 0.6569898442649775 Energy: 0.6409497025551542 Energy: 0.6569898442657899 Energy: 0.6223014598178692 Energy: 0.5605786095228331 Energy: 0.6223014598178692 Energy: 0.5605786095228331 Energy: 0.6223014598182754 Energy: 0.5605786095228331 Energy: 0.5740167785043546 Energy: 0.6392466537129432 Energy: 0.5740167785051669 Energy: 0.6392466537190353 Energy: 0.5740167785043546 Energy: 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0.6626463380870504 Energy: 0.6449051099479627 Energy: 0.6626463380902998 Energy: 0.6449051099471503 Energy: 0.6626463380931429 Energy: 0.6449051099483688 Energy: 0.6356514477092358 Energy: 0.6431495099641586 Energy: 0.6356514477076112 Energy: 0.6431495099645649 Energy: 0.635651447707205 Energy: 0.6431495099641586 Energy: 0.6351758585950255 Energy: 0.5561287023371645 Energy: 0.6351758585946192 Energy: 0.5561287023367584 Energy: 0.6351758585950255 Energy: 0.5561287023371645 Energy: 0.6356468803516382 Energy: 0.6432524014177536 Energy: 0.6356468803544812 Energy: 0.6432524014177536 Energy: 0.6356468803548875 Energy: 0.6432524014165352 Energy: 0.6625055801748503 Energy: 0.6439948728064665 Energy: 0.6625055801736318 Energy: 0.6439948728060604 Energy: 0.6625055801744442 Energy: 0.6439948728068726 Energy: 0.6359886551280932 Energy: 0.6475772232911681 Energy: 0.6359886551289055 Energy: 0.647577223290762 Energy: 0.6359886551284993 Energy: 0.6475772232911681 Energy: 0.5733040333406678 Energy: 0.701680952212467 Energy: 0.5733040333398556 Energy: 0.7016809522112485 Energy: 0.5733040333402617 Energy: 0.7016809522108423 Energy: 0.6477931409656739 Energy: 0.6100665342257917 Energy: 0.6477931409652677 Energy: 0.6100665342257917 Energy: 0.6477931409664862 Energy: 0.6100665342261978 Energy: 0.6273473958498428 Energy: 0.612164391569742 Energy: 0.6273473958498428 Energy: 0.6121643915701481 Energy: 0.6273473958502489 Energy: 0.6121643915701481 Energy: 0.637712060927316 Energy: 0.6104979642966535 Energy: 0.6377120609277223 Energy: 0.6104979642966535 Energy: 0.6377120609277223 Energy: 0.6104979642966535 Energy: 0.6917101523126126 Energy: 0.610199230354827 Energy: 0.6917101523134249 Energy: 0.610199230354827 Energy: 0.6917101523134249 Energy: 0.610199230354827 Energy: 0.5743029755293074 Energy: 0.6393396868075162 Energy: 0.5743029755297135 Energy: 0.6393396868010179 Energy: 0.5743029755297135 Energy: 0.6393396868030485 Energy: 0.6203947473552158 Energy: 0.5603793691646969 Energy: 0.6203947473548096 Energy: 0.560379369165103 Energy: 0.6203947473544035 Energy: 0.5603793691646969 Energy: 0.6407631532271416 Energy: 0.6578517749796369 Energy: 0.6407631532271416 Energy: 0.6578517749792306 Energy: 0.6407631532271416 Energy: 0.6578517749796369 Energy: 0.6459220074213973 Energy: 0.6947851637222061 Energy: 0.6459220074222096 Energy: 0.6947851637205815 Energy: 0.6459220074205849 Energy: 0.6947851637226123 Energy: 0.6251615169867294 Energy: 0.6253201200087415 Energy: 0.6251615169875417 Energy: 0.6253201200091476 Energy: 0.6251615169871356 Energy: 0.6253201200087415 Energy: 0.6568011979814921 Energy: 0.599392377883241 Energy: 0.6568011979818982 Energy: 0.599392377883241 Energy: 0.6568011979831166 Energy: 0.599392377883241 Energy: 0.6198664401113578 Energy: 0.5911986728634492 Energy: 0.6198664401105456 Energy: 0.5911986728606061 Energy: 0.6198664401133887 Energy: 0.5911986728638553 Energy: 0.5977381347027032 Energy: 0.668808053308916 Energy: 0.5977381347022972 Energy: 0.6688080533093222 Energy: 0.5977381347031094 Energy: 0.6688080533093222 Energy: 0.6384134220464182 Energy: 0.6483393758818766 Energy: 0.6384134220508859 Energy: 0.6483393758818766 Energy: 0.6384134220516983 Energy: 0.6483393758818766 Energy: 0.6269115993624601 Energy: 0.5910721007637565 Energy: 0.6269115993628663 Energy: 0.5910721007633504 Energy: 0.6269115993624601 Energy: 0.5910721007633504 Energy: 0.681782116916114 Energy: 0.6104550157396738 Energy: 0.6817821169169264 Energy: 0.6104550157396738 Energy: 0.6817821169157079 Energy: 0.6104550157392675 Energy: 0.6272094792893137 Energy: 0.5984701030223417 Energy: 0.6272094792889075 Energy: 0.5984701030219356 Energy: 0.6272094792893137 Energy: 0.5984701030223417 Energy: 0.64018705499854 Energy: 0.6483264971768649 Energy: 0.6401870549965093 Energy: 0.6483264971768649 Energy: 0.6401870549997585 Energy: 0.6483264971768649 Energy: 0.5975878285340779 Energy: 0.6475858518285557 Energy: 0.597587828534484 Energy: 0.647585851826525 Energy: 0.5975878285336718 Energy: 0.6475858518281495 Energy: 0.6202893267641748 Energy: 0.5911506630401835 Energy: 0.6202893267686425 Energy: 0.5911506630409957 Energy: 0.6202893267653932 Energy: 0.5911506630405896 minimum gb energy = 0.5561287023367584 eV minimum distance = 2.36883192488563 Angstroms sigma value = 57 ======================================== theta = 99.36891557845483 ======================================== Energy: 0.5805657772058862 Energy: 0.5656197147140059 Energy: 0.5805657772065475 Energy: 0.5656197147146671 Energy: 0.5805657772065475 Energy: 0.5656197147140059 Energy: 0.6358768229105548 Energy: 0.5577473523746392 Energy: 0.6358768229118774 Energy: 0.5577473523739779 Energy: 0.6358768229105548 Energy: 0.5577473523739779 Energy: 0.6427370480743809 Energy: 0.6025972021909317 Energy: 0.6427370480743809 Energy: 0.6025972021909317 Energy: 0.6427370480737197 Energy: 0.6025972021909317 Energy: 0.5417122919014924 Energy: 0.6212999277278113 Energy: 0.5417122918981857 Energy: 0.6212999277284725 Energy: 0.5417122918988472 Energy: 0.6212999277284725 Energy: 0.5653408760857276 Energy: 0.520497602812404 Energy: 0.5653408760850663 Energy: 0.520497602812404 Energy: 0.5653408760857276 Energy: 0.5204976028130652 Energy: 0.6207995693164948 Energy: 0.5579804865778888 Energy: 0.6207995693171562 Energy: 0.5579804865778888 Energy: 0.6207995693171562 Energy: 0.5579804865778888 Energy: 0.5349957485075787 Energy: 0.6006114694628324 Energy: 0.5349957485069174 Energy: 0.6006114694634939 Energy: 0.5349957485075787 Energy: 0.6006114694634939 Energy: 0.6317361243714728 Energy: 0.5847250492764685 Energy: 0.6317361243675048 Energy: 0.5847250492791137 Energy: 0.6317361243655208 Energy: 0.5847250492810977 Energy: 0.5643576375079786 Energy: 0.5589508501991443 Energy: 0.5643576375079786 Energy: 0.5589508501991443 Energy: 0.5643576375073174 Energy: 0.5589508501991443 Energy: 0.5718380185772898 Energy: 0.576252948762215 Energy: 0.5718380185772898 Energy: 0.576252948762215 Energy: 0.5718380185766284 Energy: 0.576252948762215 Energy: 0.5292092381816919 Energy: 0.7070137075726958 Energy: 0.5292092381830146 Energy: 0.7070137075720345 Energy: 0.5292092381790465 Energy: 0.7070137075720345 Energy: 0.5893341345778931 Energy: 0.5358046644331023 Energy: 0.5893341345785544 Energy: 0.5358046644397155 Energy: 0.5893341345785544 Energy: 0.5358046644383928 Energy: 0.569567367868727 Energy: 0.6049234989057919 Energy: 0.569567367868727 Energy: 0.6049234989057919 Energy: 0.5695673678693882 Energy: 0.6049234989057919 Energy: 0.5399146529783774 Energy: 0.6647249488106186 Energy: 0.5399146529763934 Energy: 0.6647249488106186 Energy: 0.5399146529770547 Energy: 0.6647249488106186 Energy: 0.6331981061047026 Energy: 0.5692412658542404 Energy: 0.6331981061053639 Energy: 0.5692412658198519 Energy: 0.6331981061040413 Energy: 0.5692412658582082 Energy: 0.5687730252037719 Energy: 0.5643503511322705 Energy: 0.5687730252037719 Energy: 0.5643503511316093 Energy: 0.5687730252050945 Energy: 0.5643503511329317 Energy: 0.5892746878546571 Energy: 0.6406814547570739 Energy: 0.5892746878539957 Energy: 0.6406814547570739 Energy: 0.5892746878539957 Energy: 0.6406814547570739 Energy: 0.6005972717714073 Energy: 0.6188336688825313 Energy: 0.600597271770746 Energy: 0.6188336688818701 Energy: 0.6005972717720687 Energy: 0.6188336688825313 Energy: 0.5489163356505516 Energy: 0.6712792329238676 Energy: 0.5489163356525356 Energy: 0.6712792329232061 Energy: 0.5489163356518743 Energy: 0.6712792329238676 Energy: 0.5409568300318748 Energy: 0.6167265877306328 Energy: 0.5409568300305522 Energy: 0.6167265877312941 Energy: 0.5409568300312135 Energy: 0.6167265877306328 Energy: 0.6046440407610902 Energy: 0.5963329812985388 Energy: 0.6046440407598278 Energy: 0.5963329812992002 Energy: 0.6046440407578438 Energy: 0.5963329812992002 Energy: 0.5416144193057609 Energy: 0.6750335748467837 Energy: 0.5416144193057609 Energy: 0.6750335748461225 Energy: 0.5416144193050996 Energy: 0.6750335748467837 Energy: 0.5873281953339737 Energy: 0.5898581103142557 Energy: 0.5873281953339737 Energy: 0.5898581103142557 Energy: 0.5873281953333124 Energy: 0.5898581103142557 Energy: 0.5920022981944174 Energy: 0.6741624134011611 Energy: 0.5920022981957401 Energy: 0.6741624134004998 Energy: 0.5920022981976639 Energy: 0.6741624133998384 Energy: 0.5820866216239696 Energy: 0.7195058510034675 Energy: 0.5820866216252922 Energy: 0.7195058510028062 Energy: 0.5820866216292602 Energy: 0.7195058510034675 Energy: 0.568319230631776 Energy: 0.5890823605968859 Energy: 0.5683192306324374 Energy: 0.5890823605968859 Energy: 0.568319230631776 Energy: 0.5890823605968859 Energy: 0.5381013466699475 Energy: 0.6714689055574341 Energy: 0.5381013466712701 Energy: 0.6714689055574341 Energy: 0.5381013466706087 Energy: 0.6714689055574341 minimum gb energy = 0.520497602812404 eV minimum distance = 2.32826718185169 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 0.5443980587803346 Energy: 0.5085860643440948 Energy: 0.5443980587798528 Energy: 0.5085860643440948 Energy: 0.5443980587808165 Energy: 0.5085860643436132 Energy: 0.5561444550405952 Energy: 0.5171802417033473 Energy: 0.5561444550405952 Energy: 0.5171802417033473 Energy: 0.5561444550396315 Energy: 0.5171802417033473 Energy: 0.5480398609878925 Energy: 0.5198522909604062 Energy: 0.5480398609878925 Energy: 0.5198522909608881 Energy: 0.5480398609883744 Energy: 0.5198522909608881 Energy: 0.518516341223977 Energy: 0.5335425420183506 Energy: 0.518516341223977 Energy: 0.5335425420173872 Energy: 0.518516341223977 Energy: 0.5335425420178689 Energy: 0.5556484987558676 Energy: 0.4918276044464694 Energy: 0.555648498754904 Energy: 0.4918276044464694 Energy: 0.5556484987553858 Energy: 0.4918276044464694 Energy: 0.5241936664953538 Energy: 0.5003288094544753 Energy: 0.5241936664948721 Energy: 0.5003288094544753 Energy: 0.5241936664948721 Energy: 0.5003288094535118 Energy: 0.4745255859356139 Energy: 0.5199055621629118 Energy: 0.4745255859356139 Energy: 0.5199055621633938 Energy: 0.4745255859356139 Energy: 0.5199055621633938 Energy: 0.5514155022351261 Energy: 0.4820672522113265 Energy: 0.5514155022360898 Energy: 0.4820672522108447 Energy: 0.5514155022346443 Energy: 0.4820672522113265 Energy: 0.5035541627961712 Energy: 0.49307088015187694 Energy: 0.5035541627961712 Energy: 0.4930708801499496 Energy: 0.5035541627961712 Energy: 0.49307088014946776 Energy: 0.5589710295138198 Energy: 0.4946082319321768 Energy: 0.558971029513338 Energy: 0.49460823193265874 Energy: 0.558971029513338 Energy: 0.49460823193169506 Energy: 0.6027234965976664 Energy: 0.5406349226968067 Energy: 0.6027234965971847 Energy: 0.5406349226977704 Energy: 0.6027234965976664 Energy: 0.5406349226968067 Energy: 0.4769169131932979 Energy: 0.49456548498054825 Energy: 0.4769169131937796 Energy: 0.49456548498054825 Energy: 0.4769169131937796 Energy: 0.49456548498054825 Energy: 0.5579562276240452 Energy: 0.4750759706929243 Energy: 0.5579562276230815 Energy: 0.4750759706924425 Energy: 0.5579562276225996 Energy: 0.4750759706924425 Energy: 0.6005409771363707 Energy: 0.596288390554505 Energy: 0.6005409771368525 Energy: 0.596288390554505 Energy: 0.6005409771358888 Energy: 0.596288390554505 Energy: 0.49431738995010316 Energy: 0.4958889491990953 Energy: 0.49431738995010316 Energy: 0.49588894919861354 Energy: 0.49431738995010316 Energy: 0.49588894919861354 Energy: 0.5244337401402683 Energy: 0.5439824678016991 Energy: 0.5244337401397866 Energy: 0.5439824678012174 Energy: 0.5244337401402683 Energy: 0.5439824678012174 Energy: 0.5070020422268823 Energy: 0.5941620277155243 Energy: 0.5070020422259186 Energy: 0.5941620277150426 Energy: 0.5070020422259186 Energy: 0.5941620277155243 Energy: 0.5106975720428512 Energy: 0.49406068343535786 Energy: 0.5106975720423692 Energy: 0.49406068343583964 Energy: 0.510697572043333 Energy: 0.49406068343535786 Energy: 0.47593822117198453 Energy: 0.5469920837908364 Energy: 0.4759382211729482 Energy: 0.5469920837913184 Energy: 0.47593822117198453 Energy: 0.5469920837913184 Energy: 0.5226470550919744 Energy: 0.5417104889023504 Energy: 0.5226470550919744 Energy: 0.5417104889023504 Energy: 0.5226470550919744 Energy: 0.5417104889023504 Energy: 0.5494011937972699 Energy: 0.5065974096178405 Energy: 0.549401193796788 Energy: 0.5065974096173586 Energy: 0.5494011937977518 Energy: 0.5065974096173586 Energy: 0.5183243778527556 Energy: 0.5512983902228389 Energy: 0.5183243778537193 Energy: 0.551298390222357 Energy: 0.5183243778503465 Energy: 0.5512983902228389 Energy: 0.5214801618561092 Energy: 0.5504454992724022 Energy: 0.5214801618561092 Energy: 0.5504454992724022 Energy: 0.5214801618556273 Energy: 0.5504454992724022 Energy: 0.5249438986194614 Energy: 0.5045405624636163 Energy: 0.5249438986199432 Energy: 0.5045405624636163 Energy: 0.5249438986189796 Energy: 0.5045405624636163 Energy: 0.4769550642847289 Energy: 0.5396591616063714 Energy: 0.4769550642847289 Energy: 0.539659161607335 Energy: 0.47695506428424705 Energy: 0.5396591616063714 Energy: 0.4875212441314831 Energy: 0.5315418628083378 Energy: 0.4875212441314831 Energy: 0.5315418628083378 Energy: 0.4875212441314831 Energy: 0.5315418628083378 Energy: 0.5219347502935153 Energy: 0.48728137991363096 Energy: 0.5219347502939972 Energy: 0.4872813799131491 Energy: 0.5219347502935153 Energy: 0.48728137991363096 Energy: 0.4981086081571477 Energy: 0.5361831413880678 Energy: 0.49810860815762953 Energy: 0.5361831413885496 Energy: 0.4981086081571477 Energy: 0.5361831413880678 Energy: 0.4875735903645583 Energy: 0.5015362281754819 Energy: 0.4875735903645583 Energy: 0.5015362281759637 Energy: 0.4875735903635946 Energy: 0.5015362281759637 Energy: 0.4902622041834073 Energy: 0.5383681229025586 Energy: 0.4902622041834073 Energy: 0.5383681229030405 Energy: 0.49026220418437105 Energy: 0.5383681229030405 Energy: 0.4808327558991952 Energy: 0.5376641249958417 Energy: 0.48083275590015884 Energy: 0.5376641249963234 Energy: 0.4808327558991952 Energy: 0.5376641249953598 Energy: 0.4879772814703758 Energy: 0.4836461203706355 Energy: 0.4879772814703758 Energy: 0.4836461203706355 Energy: 0.4879772814703758 Energy: 0.4836461203706355 Energy: 0.47410206013655004 Energy: 0.538834999778292 Energy: 0.4741020601351045 Energy: 0.5388349997787738 Energy: 0.4741020601355863 Energy: 0.5388349997792555 Energy: 0.6032567084158041 Energy: 0.5407346993715381 Energy: 0.6032567084158041 Energy: 0.5407346993710563 Energy: 0.6032567084162861 Energy: 0.5407346993715381 Energy: 0.5077198972789944 Energy: 0.46925167082039904 Energy: 0.5077198972789944 Energy: 0.46925167082136277 Energy: 0.5077198972789944 Energy: 0.4692516708208809 Energy: 0.43746429520240215 Energy: 0.5376878766761043 Energy: 0.43746429520240215 Energy: 0.5376878766761043 Energy: 0.43746429520240215 Energy: 0.5376878766761043 minimum gb energy = 0.43746429520240215 eV minimum distance = 2.31685259291416 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.25182676820086825 Energy: 0.28026283399819774 Energy: 0.02311224341114601 Energy: 0.28026283399819774 Energy: 0.25182676820086825 Energy: 0.28026283399819774 Energy: 0.6333685326594362 Energy: 0.02447348670383683 Energy: 0.6333685326594362 Energy: 0.02447348670383683 Energy: 0.6333685326594362 Energy: 0.02447348670206645 Energy: 0.2802025452682707 Energy: 0.02359411156292786 Energy: 0.2802025452682707 Energy: 0.02359411156292786 Energy: 0.2802025452682707 Energy: 0.023594111564698247 Energy: 0.02311224341114601 Energy: 0.28026283399819774 Energy: 0.02311224341114601 Energy: 0.28026283399819774 Energy: 0.02311224341114601 Energy: 0.28026283399819774 Energy: 0.6333685326594362 Energy: 0.024473486705607214 Energy: 0.6333685326594362 Energy: 0.024473486705607214 Energy: 0.6333685326594362 Energy: 0.024473486705607214 Energy: 0.2802025452682707 Energy: 0.02359411156292786 Energy: 0.2802025452682707 Energy: 0.02359411156292786 Energy: 0.2802025452682707 Energy: 0.02359411156292786 Energy: 0.2518267681990979 Energy: 0.28026283399819774 Energy: 0.02311224341114601 Energy: 0.28026283399819774 Energy: 0.2518267681990979 Energy: 0.28026283399819774 Energy: 0.6333685326594362 Energy: 0.024473486705607214 Energy: 0.6333685326594362 Energy: 0.024473486707377593 Energy: 0.6333685326594362 Energy: 0.024473486705607214 Energy: 0.2802025452682707 Energy: 0.02359411156292786 Energy: 0.2802025452682707 Energy: 0.02359411156292786 Energy: 0.2802025452682707 Energy: 0.02359411156292786 Energy: 0.02311224341114601 Energy: 0.28026283399819774 Energy: 0.02311224341114601 Energy: 0.28026283399819774 Energy: 0.02311224341114601 Energy: 0.28026283399819774 minimum gb energy = 0.02311224341114601 eV minimum distance = 2.49534978906106 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 0.46648016873514253 Energy: 0.3955693233371157 Energy: 0.46648016873514253 Energy: 0.39556932333764555 Energy: 0.46648016873514253 Energy: 0.3955693233365859 Energy: 0.39369511966298304 Energy: 0.44878778316074647 Energy: 0.39369511966351284 Energy: 0.44878778316074647 Energy: 0.39369511966351284 Energy: 0.44878778316074647 Energy: 0.4527525880218864 Energy: 0.4477286292555892 Energy: 0.4527525880218864 Energy: 0.4477286292550595 Energy: 0.45275258802135665 Energy: 0.4477286292550595 Energy: 0.4387420158522702 Energy: 0.43535938105868566 Energy: 0.4387420158528 Energy: 0.43535938105868566 Energy: 0.4387420158522702 Energy: 0.43535938105815597 Energy: 0.39022696534151563 Energy: 0.4353003599913623 Energy: 0.3902269653425752 Energy: 0.43530035999189204 Energy: 0.39022696534204543 Energy: 0.43530035999242184 Energy: 0.4544585894057966 Energy: 0.44837359574587343 Energy: 0.45445858940632633 Energy: 0.44837359574587343 Energy: 0.4544585894057966 Energy: 0.44837359574587343 Energy: 0.44405419568114457 Energy: 0.43931457150385084 Energy: 0.44405419568114457 Energy: 0.4393145715043807 Energy: 0.44405419568114457 Energy: 0.4393145715043807 Energy: 0.38714364742199014 Energy: 0.4397067943853745 Energy: 0.38714364742146035 Energy: 0.43970679438484467 Energy: 0.38714364742199014 Energy: 0.4397067943853745 Energy: 0.4622678875900495 Energy: 0.45273967356762757 Energy: 0.4622678875900495 Energy: 0.45273967356603817 Energy: 0.4622678875900495 Energy: 0.45273967356762757 Energy: 0.44605802001494865 Energy: 0.4190166079225241 Energy: 0.44605802001494865 Energy: 0.4190166079225241 Energy: 0.44605802001441885 Energy: 0.41901660792305384 Energy: 0.41274859297636524 Energy: 0.4421352309088229 Energy: 0.4127485929758354 Energy: 0.4421352309088229 Energy: 0.4127485929758354 Energy: 0.4421352309088229 Energy: 0.4728289715234575 Energy: 0.4779337989433467 Energy: 0.4728289715234575 Energy: 0.4779337989433467 Energy: 0.4728289715234575 Energy: 0.4779337989433467 Energy: 0.44277882807423774 Energy: 0.3965277461053483 Energy: 0.4427788280747675 Energy: 0.3965277461053483 Energy: 0.4427788280747675 Energy: 0.3965277461053483 Energy: 0.4302652267451789 Energy: 0.461212716109927 Energy: 0.4302652267451789 Energy: 0.461212716109927 Energy: 0.4302652267451789 Energy: 0.461212716109927 Energy: 0.4480314727193743 Energy: 0.4649847603087967 Energy: 0.4480314727193743 Energy: 0.4649847603087967 Energy: 0.44803147271884447 Energy: 0.4649847603087967 Energy: 0.4474635595537004 Energy: 0.3903896050142485 Energy: 0.4474635595537004 Energy: 0.3903896050142485 Energy: 0.4474635595537004 Energy: 0.3903896050147783 Energy: 0.3560724372710722 Energy: 0.4781047337672724 Energy: 0.35607243727054233 Energy: 0.47810473376674273 Energy: 0.3560724372710722 Energy: 0.4781047337672724 Energy: 0.4510671757718651 Energy: 0.44318924056632863 Energy: 0.4510671757718651 Energy: 0.4431892405668584 Energy: 0.4510671757718651 Energy: 0.44318924056632863 Energy: 0.44798166198768025 Energy: 0.42408242846922906 Energy: 0.44798166198768025 Energy: 0.42408242846922906 Energy: 0.44798166198715045 Energy: 0.4240824284925158 Energy: 0.4393974168552818 Energy: 0.4918929581171871 Energy: 0.4393974168558115 Energy: 0.4918929581182466 Energy: 0.4393974168558115 Energy: 0.4918929581187764 Energy: 0.46239782765825527 Energy: 0.332218172294376 Energy: 0.46239782765825527 Energy: 0.332218172294376 Energy: 0.4623978276577254 Energy: 0.3322181722954356 Energy: 0.42630912543819566 Energy: 0.43403119895197273 Energy: 0.42630912543819566 Energy: 0.4340311989525025 Energy: 0.42630912543819566 Energy: 0.43403119895144293 Energy: 0.44841163660505945 Energy: 0.42638576158603453 Energy: 0.44841163660294026 Energy: 0.42638576158603453 Energy: 0.4484116366039998 Energy: 0.42638576158550473 Energy: 0.4537740939750171 Energy: 0.4333614095427924 Energy: 0.4537740939750171 Energy: 0.4333614095422626 Energy: 0.4537740939750171 Energy: 0.4333614095427924 Energy: 0.44823983329366696 Energy: 0.45210295075306217 Energy: 0.44823983329366696 Energy: 0.45210295075306217 Energy: 0.44823983329366696 Energy: 0.45210295075306217 Energy: 0.44568519754129793 Energy: 0.44965436806882364 Energy: 0.44568519754129793 Energy: 0.44965436806882364 Energy: 0.44568519754129793 Energy: 0.44965436806882364 Energy: 0.5068021557828996 Energy: 0.3846171659912149 Energy: 0.5068021557828996 Energy: 0.3846171659896255 Energy: 0.5068021557828996 Energy: 0.3846171659912149 Energy: 0.44982664977887044 Energy: 0.4662388323848092 Energy: 0.44982664977887044 Energy: 0.46623883238427943 Energy: 0.44982664977887044 Energy: 0.46623883238427943 Energy: 0.435434348562508 Energy: 0.4466436386249103 Energy: 0.435434348562508 Energy: 0.4466436386249103 Energy: 0.435434348562508 Energy: 0.4466436386243805 Energy: 0.5091281058540896 Energy: 0.4112458168322632 Energy: 0.5091281058546195 Energy: 0.4112458168322632 Energy: 0.5091281058540896 Energy: 0.411245816832793 Energy: 0.4797625158159056 Energy: 0.4622830289071749 Energy: 0.4797625158159056 Energy: 0.4622830289071749 Energy: 0.4797625158159056 Energy: 0.4622830289071749 Energy: 0.4166485651151093 Energy: 0.4482490882585858 Energy: 0.4166485651151093 Energy: 0.4482490882585858 Energy: 0.4166485651151093 Energy: 0.4482490882585858 Energy: 0.46094312353811007 Energy: 0.45597827339874547 Energy: 0.46094312353811007 Energy: 0.45597827339927527 Energy: 0.46094312353811007 Energy: 0.45597827339927527 minimum gb energy = 0.332218172294376 eV minimum distance = 2.37408465903062 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 0.604243285142455 Energy: 0.5664983643066115 Energy: 0.604243285142455 Energy: 0.5664983643066115 Energy: 0.604243285142455 Energy: 0.5664983643066115 Energy: 0.5590849619229896 Energy: 0.6085095471223819 Energy: 0.5590849619222347 Energy: 0.6085095471223819 Energy: 0.5590849619229896 Energy: 0.6085095471223819 Energy: 0.5873057320175259 Energy: 0.5762462434368857 Energy: 0.5873057320175259 Energy: 0.5762462434361308 Energy: 0.5873057320167709 Energy: 0.5762462434361308 Energy: 0.5862888210045684 Energy: 0.5796146325833427 Energy: 0.5862888210045684 Energy: 0.5796146325825879 Energy: 0.5862888210045684 Energy: 0.5796146325825879 Energy: 0.5142250818634106 Energy: 0.5474890727501988 Energy: 0.5142250818634106 Energy: 0.5474890727517085 Energy: 0.5142250818634106 Energy: 0.5474890727501988 Energy: 0.587454737803487 Energy: 0.5738262467057135 Energy: 0.587454737803487 Energy: 0.5738262467057135 Energy: 0.587454737803487 Energy: 0.5738262467049585 Energy: 0.549953131515964 Energy: 0.5552973531744587 Energy: 0.549953131515964 Energy: 0.5552973531744587 Energy: 0.549953131516719 Energy: 0.5552973531752134 Energy: 0.5509278605476038 Energy: 0.5393087756769372 Energy: 0.5509278605491136 Energy: 0.5393087756761823 Energy: 0.5509278605476038 Energy: 0.5393087756761823 Energy: 0.6031436647416468 Energy: 0.611573692063731 Energy: 0.6031436647424017 Energy: 0.611573692063731 Energy: 0.6031436647424017 Energy: 0.6115736920629762 Energy: 0.5675212513018378 Energy: 0.5246146760967935 Energy: 0.5675212513010829 Energy: 0.5246146760967935 Energy: 0.5675212513018378 Energy: 0.5246146760967935 Energy: 0.591785914451181 Energy: 0.5790455636037476 Energy: 0.591785914451181 Energy: 0.5790455636037476 Energy: 0.591785914451181 Energy: 0.5790455636037476 Energy: 0.5533744646950122 Energy: 0.5797077114895586 Energy: 0.553374464695767 Energy: 0.5797077114903135 Energy: 0.5533744646950122 Energy: 0.5797077114903135 Energy: 0.5671228045978155 Energy: 0.5534341104895957 Energy: 0.5671228045978155 Energy: 0.5534341104895957 Energy: 0.5671228045963058 Energy: 0.5534341104895957 Energy: 0.562022586706408 Energy: 0.5807705496892714 Energy: 0.562022586706408 Energy: 0.5807705496900264 Energy: 0.5620225867071629 Energy: 0.5807705496892714 Energy: 0.558317351536084 Energy: 0.5560127867211189 Energy: 0.558317351536084 Energy: 0.5560127867211189 Energy: 0.558317351536084 Energy: 0.5560127867211189 Energy: 0.5845212683690113 Energy: 0.5641202367054424 Energy: 0.5845212683682565 Energy: 0.5641202367061973 Energy: 0.5845212683697661 Energy: 0.5641202367054424 Energy: 0.5829711684587401 Energy: 0.580114059651054 Energy: 0.5829711684587401 Energy: 0.580114059651054 Energy: 0.5829711684594949 Energy: 0.580114059651054 Energy: 0.5701678338541469 Energy: 0.5466750259654022 Energy: 0.5701678338541469 Energy: 0.5466750259654022 Energy: 0.5701678338541469 Energy: 0.546675025966157 Energy: 0.5696334931194936 Energy: 0.5902025737732031 Energy: 0.5696334931194936 Energy: 0.5902025737732031 Energy: 0.5696334931194936 Energy: 0.5902025737732031 Energy: 0.5439678484079774 Energy: 0.5778632640319226 Energy: 0.5439678484072226 Energy: 0.5778632640319226 Energy: 0.5439678484079774 Energy: 0.5778632640319226 Energy: 0.6001386558003504 Energy: 0.5538422781982288 Energy: 0.6001386558003504 Energy: 0.5538422781982288 Energy: 0.6001386558003504 Energy: 0.553842278197474 Energy: 0.5917809735864368 Energy: 0.6119838153080364 Energy: 0.5917809735864368 Energy: 0.6119838153080364 Energy: 0.5917809735864368 Energy: 0.6119838153080364 Energy: 0.5219064065419048 Energy: 0.5773523630823385 Energy: 0.52190640654115 Energy: 0.5773523630823385 Energy: 0.5219064065419048 Energy: 0.5773523630823385 minimum gb energy = 0.5142250818634106 eV minimum distance = 2.38549286104091 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 0.6798298423313597 Energy: 0.6378426544821906 Energy: 0.6798298423313597 Energy: 0.6378426544817116 Energy: 0.6798298423318386 Energy: 0.6378426544821906 Energy: 0.6356394153850772 Energy: 0.6492301956766275 Energy: 0.6356394153850772 Energy: 0.6492301956766275 Energy: 0.6356394153850772 Energy: 0.6492301956766275 Energy: 0.6670324746661342 Energy: 0.6493122700068935 Energy: 0.6670324746661342 Energy: 0.6493122700068935 Energy: 0.6670324746656553 Energy: 0.6493122700068935 Energy: 0.6628762476071031 Energy: 0.6603436898544719 Energy: 0.6628762476075819 Energy: 0.6603436898544719 Energy: 0.6628762476075819 Energy: 0.6603436898549507 Energy: 0.6422387024557366 Energy: 0.6463676496683652 Energy: 0.6422387024557366 Energy: 0.6463676496678863 Energy: 0.6422387024557366 Energy: 0.6463676496678863 Energy: 0.7040284254766358 Energy: 0.6997492115641866 Energy: 0.7040284254766358 Energy: 0.6997492115641866 Energy: 0.7040284254771147 Energy: 0.6997492115641866 Energy: 0.6349064837014785 Energy: 0.6300818741724118 Energy: 0.6349064837029152 Energy: 0.6300818741724118 Energy: 0.6349064837019575 Energy: 0.6300818741724118 Energy: 0.6717589853098612 Energy: 0.6635630432516917 Energy: 0.6717589853093823 Energy: 0.6635630432516917 Energy: 0.6717589853093823 Energy: 0.6635630432516917 Energy: 0.6464896335655093 Energy: 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0.6435079257271538 Energy: 0.6456792057989101 Energy: 0.6435079257276326 Energy: 0.6456792057989101 Energy: 0.6627821192715192 Energy: 0.6684444458080563 Energy: 0.6627821192715192 Energy: 0.6684444458080563 Energy: 0.6627821192715192 Energy: 0.6684444458075773 Energy: 0.6345933975191034 Energy: 0.6498769034677074 Energy: 0.63459339752054 Energy: 0.6498769034677074 Energy: 0.6345933975243712 Energy: 0.6498769034677074 Energy: 0.6845947609412756 Energy: 0.6952082632673036 Energy: 0.6845947609417545 Energy: 0.6952082632663458 Energy: 0.6845947609412756 Energy: 0.6952082632663458 Energy: 0.6262088510994324 Energy: 0.6760729306024287 Energy: 0.6262088510999112 Energy: 0.6760729306029076 Energy: 0.6262088510994324 Energy: 0.6760729306024287 Energy: 0.6486661185383281 Energy: 0.6508708381327624 Energy: 0.6486661185383281 Energy: 0.6508708381327624 Energy: 0.6486661185378492 Energy: 0.6508708381327624 Energy: 0.6594419907256623 Energy: 0.6708008994037794 Energy: 0.6594419907261412 Energy: 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0.6345894422220317 Energy: 0.6322140537185816 Energy: 0.6616139957116136 Energy: 0.7082395658790255 Energy: 0.6616139957111347 Energy: 0.7082395658790255 Energy: 0.6616139957111347 Energy: 0.7465394651156692 Energy: 0.6438897966165941 Energy: 0.6443087416763552 Energy: 0.643889796617073 Energy: 0.6443087416758763 Energy: 0.643889796617073 Energy: 0.6443087416763552 Energy: 0.6264732001652434 Energy: 0.6269865985619064 Energy: 0.6264732001652434 Energy: 0.6269865985619064 Energy: 0.6264732001652434 Energy: 0.6269865985623854 Energy: 0.7039613887251138 Energy: 0.6957531604601435 Energy: 0.7039613887265505 Energy: 0.6957531604596645 Energy: 0.7039613887260716 Energy: 0.6957531604596645 Energy: 0.6441121676924898 Energy: 0.6507729441159208 Energy: 0.644112167692011 Energy: 0.650772944115442 Energy: 0.6441121676924898 Energy: 0.6507729441163997 Energy: 0.6620104766302765 Energy: 0.6670370856779527 Energy: 0.6620104766302765 Energy: 0.6670370856769949 Energy: 0.6620104766307554 Energy: 0.6670370856774738 Energy: 0.6533969169571338 Energy: 0.6450844922152612 Energy: 0.6533969169571338 Energy: 0.6450844922157402 Energy: 0.6533969169576127 Energy: 0.6450844922152612 Energy: 0.6373387109456553 Energy: 0.6497510609627826 Energy: 0.6373387109456553 Energy: 0.6497510609627826 Energy: 0.6373387109456553 Energy: 0.6497510609623036 Energy: 0.666484722405946 Energy: 0.6344680057018708 Energy: 0.6664847224054671 Energy: 0.6344680057013918 Energy: 0.666484722405946 Energy: 0.6344680057023496 Energy: 0.6356514737697989 Energy: 0.6449242690755642 Energy: 0.6356514737697989 Energy: 0.6449242690755642 Energy: 0.6356514737693201 Energy: 0.6449242690755642 minimum gb energy = 0.6262088510994324 eV minimum distance = 2.35561255245848 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.7943973154313677 Energy: 0.8056907649544496 Energy: 0.7943973154313677 Energy: 0.8056907649544496 Energy: 0.7943973154313677 Energy: 0.8056907649544496 Energy: 0.7606493880324506 Energy: 0.7666137577402125 Energy: 0.7606493880324506 Energy: 0.7666137577402125 Energy: 0.7606493880324506 Energy: 0.7666137577402125 Energy: 0.8831465244051773 Energy: 0.7631276678464631 Energy: 0.8315096451899852 Energy: 0.7631276678464631 Energy: 0.8315096451886775 Energy: 0.7631276678477706 Energy: 0.7874680949855956 Energy: 0.8077472562667608 Energy: 0.7874680949855956 Energy: 0.8077472562667608 Energy: 0.7874680949855956 Energy: 0.8077472562654532 Energy: 0.7608716222012816 Energy: 0.7746133019103808 Energy: 0.7608716222012816 Energy: 0.7746133019103808 Energy: 0.7608716222012816 Energy: 0.7746133019103808 Energy: 0.8488485413822038 Energy: 0.8255432412762881 Energy: 0.8488485413822038 Energy: 0.8255432412749806 Energy: 0.8488485413822038 Energy: 0.8255432412749806 Energy: 0.7871645917893804 Energy: 0.741320330325541 Energy: 0.7871645917893804 Energy: 0.7413203303268485 Energy: 0.7871645917893804 Energy: 0.741320330325541 Energy: 0.8041280563844736 Energy: 0.7668276232026239 Energy: 0.8041280563844736 Energy: 0.7668276232026239 Energy: 0.8041280563844736 Energy: 0.7668276232026239 Energy: 0.7619628926939256 Energy: 0.7614012801695897 Energy: 0.7619628926939256 Energy: 0.7614012801695897 Energy: 0.7619628926939256 Energy: 0.7614012801695897 Energy: 0.7882533309056933 Energy: 0.7738898860468945 Energy: 0.7882533309056933 Energy: 0.7738898860468945 Energy: 0.7882533309056933 Energy: 0.7738898860468945 Energy: 0.7574566232647258 Energy: 0.7637373524804919 Energy: 0.7574566232660334 Energy: 0.7637373524804919 Energy: 0.7574566232647258 Energy: 0.7637373524804919 Energy: 0.7917327412043601 Energy: 0.766404896119134 Energy: 0.7917327412043601 Energy: 0.766404896119134 Energy: 0.7917327412056677 Energy: 0.766404896119134 Energy: 0.796080152763332 Energy: 0.8060170859908437 Energy: 0.796080152763332 Energy: 0.8060170859908437 Energy: 0.796080152763332 Energy: 0.8060170859895363 Energy: 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0.8903721121974411 Energy: 0.8886504784434344 Energy: 0.8903721121980153 Energy: 0.8886504784428599 Energy: 0.9208372230383959 Energy: 0.881762426215898 Energy: 0.9208372230383959 Energy: 0.881762426215898 Energy: 0.9208372230378213 Energy: 0.8817624262153235 Energy: 0.879942237955496 Energy: 0.8958700223069501 Energy: 0.879942237955496 Energy: 0.8958700223069501 Energy: 0.879942237955496 Energy: 0.8958700223075245 Energy: 0.8740019147177002 Energy: 0.8877744235439226 Energy: 0.8740019147177002 Energy: 0.8877744235439226 Energy: 0.8740019147177002 Energy: 0.8877744235439226 Energy: 0.8724393557173589 Energy: 0.9299642925527716 Energy: 0.8724393557173589 Energy: 0.9299642925521974 Energy: 0.8724393557173589 Energy: 0.9299642925527716 Energy: 0.8980154084580997 Energy: 0.881668720610195 Energy: 0.8980154084580997 Energy: 0.881668720610195 Energy: 0.8980154084580997 Energy: 0.881668720610195 Energy: 0.8800686910707579 Energy: 0.8916669358278285 Energy: 0.8800686910713321 Energy: 0.8916669358278285 Energy: 0.8800686910707579 Energy: 0.8916669358278285 Energy: 0.8848254641905311 Energy: 0.851737576768777 Energy: 0.8848254641905311 Energy: 0.851737576768777 Energy: 0.8848254641911053 Energy: 0.851737576768777 Energy: 0.8824240316325577 Energy: 0.9241181547930591 Energy: 0.8824240316325577 Energy: 0.9241181547924847 Energy: 0.8824240316319835 Energy: 0.9241181547930591 minimum gb energy = 0.8508257502730011 eV minimum distance = 2.31665793536341 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 0.8815242565446597 Energy: 0.884435348857118 Energy: 0.8815242565446597 Energy: 0.88443534885814 Energy: 0.8815242565446597 Energy: 0.88443534885814 Energy: 0.8800816415542052 Energy: 0.9734473643183228 Energy: 0.8800816415531832 Energy: 0.9734473643183228 Energy: 0.8800816415542052 Energy: 0.9734473643173006 Energy: 0.8808567873641068 Energy: 0.9005574740707095 Energy: 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0.8808567873620625 Energy: 0.9005574740707095 Energy: 0.8857055012389983 Energy: 0.855402715414865 Energy: 0.8857055012389983 Energy: 0.855402715414865 Energy: 0.8857055012389983 Energy: 0.8924178857872666 Energy: 0.88107529327343 Energy: 0.9005761380198525 Energy: 0.8810752930323233 Energy: 0.9005761380198525 Energy: 0.8810752930701191 Energy: 0.9005761380198525 minimum gb energy = 0.855402715414865 eV minimum distance = 2.32704586032148 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 0.9684943966378594 Energy: 0.9005873897094621 Energy: 0.9684943966386939 Energy: 0.9005873897094621 Energy: 0.9684943966386939 Energy: 0.9005873897094621 Energy: 0.9366267545139327 Energy: 0.8995080083202358 Energy: 0.9366267545139327 Energy: 0.8995080083202358 Energy: 0.9366267545139327 Energy: 0.8995080083202358 Energy: 0.9432367736222513 Energy: 0.9019483614437741 Energy: 0.943236773623086 Energy: 0.9019483614437741 Energy: 0.943236773623086 Energy: 0.9019483614437741 Energy: 0.9061509236174207 Energy: 0.9819027167955872 Energy: 0.9061509236174207 Energy: 0.9819027167955872 Energy: 0.9061509236174207 Energy: 0.9819027167955872 Energy: 0.9369451635844671 Energy: 0.9244784195618223 Energy: 0.9369451635836326 Energy: 0.9244784195609878 Energy: 0.9369451635844671 Energy: 0.9244784195618223 Energy: 0.9392989976724864 Energy: 0.9207413949510858 Energy: 0.9392989976724864 Energy: 0.9207413949510858 Energy: 0.9392989976724864 Energy: 0.920741394950251 Energy: 0.894311744194147 Energy: 0.9412248739615852 Energy: 0.894311744194147 Energy: 0.9412248739615852 Energy: 0.894311744194147 Energy: 0.9412248739615852 Energy: 0.915959376642673 Energy: 0.9529203886593762 Energy: 0.915959376642673 Energy: 0.9529203886593762 Energy: 0.915959376642673 Energy: 0.9529203886593762 Energy: 0.9894924769372521 Energy: 0.9329100348058476 Energy: 0.9894924769372521 Energy: 0.9329100348058476 Energy: 0.9894924769372521 Energy: 0.9329100348058476 Energy: 0.9178215986194496 Energy: 0.9217558928571437 Energy: 0.9178215986186151 Energy: 0.9217558928563092 Energy: 0.9178215986194496 Energy: 0.9217558928563092 Energy: 0.9241453538141563 Energy: 0.9393417933889779 Energy: 0.9241453538141563 Energy: 0.9393417933889779 Energy: 0.9241453538133216 Energy: 0.9393417933889779 Energy: 0.9547519808987529 Energy: 0.9329127702030169 Energy: 0.9547519808995873 Energy: 0.9329127702030169 Energy: 0.9547519808987529 Energy: 0.9329127702030169 Energy: 0.9093422249498078 Energy: 0.9526267315181617 Energy: 0.9093422249498078 Energy: 0.9526267315181617 Energy: 0.9093422249498078 Energy: 0.9526267315181617 Energy: 0.9122611974488727 Energy: 0.921403407573688 Energy: 0.9122611974488727 Energy: 0.921403407573688 Energy: 0.9122611974488727 Energy: 0.921403407573688 Energy: 0.9719400804266275 Energy: 0.9090018726817586 Energy: 0.9719400804266275 Energy: 0.9090018726825931 Energy: 0.9418498622850848 Energy: 0.9090018726817586 Energy: 0.9163617424409088 Energy: 0.9343446415720291 Energy: 0.9163617424409088 Energy: 0.9343446415711945 Energy: 0.9163617424409088 Energy: 0.9343446415720291 Energy: 0.9392326364713875 Energy: 0.9343862960697704 Energy: 0.9392326364705529 Energy: 0.9343862960706049 Energy: 0.9392326364705529 Energy: 0.9343862960706049 Energy: 1.018773889700811 Energy: 0.9217073156541495 Energy: 1.0187738896999765 Energy: 0.9217073156541495 Energy: 1.018773889700811 Energy: 0.9217073156541495 Energy: 0.8961108680238029 Energy: 0.9250812532789056 Energy: 0.8961108680238029 Energy: 0.925081253278071 Energy: 0.8961108680238029 Energy: 0.925081253278071 Energy: 0.9202452215499091 Energy: 0.9021042409616541 Energy: 0.9202452215490745 Energy: 0.9021042409624886 Energy: 0.9202452215499091 Energy: 0.9021042409624886 Energy: 0.9543781697728257 Energy: 0.9363898067396675 Energy: 0.9543781697719913 Energy: 0.9363898067396675 Energy: 0.9543781697719913 Energy: 0.9363898067396675 minimum gb energy = 0.894311744194147 eV minimum distance = 2.30874832779328 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 0.9959630047235275 Energy: 0.9505832054632309 Energy: 0.9748700527225882 Energy: 0.9505832054632309 Energy: 0.995963004724231 Energy: 0.9505832054660448 Energy: 0.986323429719477 Energy: 0.9002921430045229 Energy: 0.9863234297187734 Energy: 0.9002921430045229 Energy: 0.986323429719477 Energy: 0.9002921430073367 Energy: 0.9043112359916827 Energy: 0.9199228467213091 Energy: 0.9043112359930896 Energy: 0.9199228467213091 Energy: 0.9043112359916827 Energy: 0.9199228467206056 Energy: 0.9029131328996772 Energy: 0.9597738593258909 Energy: 0.9029131329024911 Energy: 0.9597738593265943 Energy: 0.9029131328996772 Energy: 0.9597738593237805 Energy: 0.9017344059095381 Energy: 0.9321079728502752 Energy: 0.9017344059088348 Energy: 0.9321079728502752 Energy: 0.9017344059095381 Energy: 0.9321079728495717 Energy: 0.9260380041485191 Energy: 0.9692212777784304 Energy: 0.9260380041492225 Energy: 0.9692212777784304 Energy: 0.9260380041478155 Energy: 0.9692212777819479 Energy: 0.9210907906287558 Energy: 0.9459889222490145 Energy: 0.9210907906280522 Energy: 0.945988922249718 Energy: 0.9210907906287558 Energy: 0.9459889222518285 Energy: 0.9685819358424267 Energy: 0.9036060349916527 Energy: 0.9685819358382057 Energy: 0.9036060349916527 Energy: 0.9685819358424267 Energy: 0.9036060349902456 Energy: 0.9859340042219977 Energy: 0.9177178545992176 Energy: 0.9855141571688996 Energy: 0.9177178545992176 Energy: 0.9859340042212943 Energy: 0.917717854601328 Energy: 0.9808183765034973 Energy: 0.9098842885385143 Energy: 0.9809533443338925 Energy: 0.9098842885385143 Energy: 0.9808183765034973 Energy: 0.9098842885371075 Energy: 0.977462132996675 Energy: 0.9261152402975771 Energy: 0.9775306973226082 Energy: 0.9261152402975771 Energy: 0.977462132996675 Energy: 0.9261152402968735 Energy: 0.9570322850675712 Energy: 0.9054645192957113 Energy: 0.9570322850661641 Energy: 0.9054645192957113 Energy: 0.9570322850675712 Energy: 0.9054645192943042 Energy: 0.9392441625499424 Energy: 0.9762750803228948 Energy: 0.9392441625471284 Energy: 0.9762750803228948 Energy: 0.9392441625499424 Energy: 0.9762750803221912 Energy: 0.9163647142957914 Energy: 0.8940506937102685 Energy: 0.9163647142957914 Energy: 0.8940506937102685 Energy: 0.9163647142957914 Energy: 0.8940506937130824 Energy: 0.9305912767100479 Energy: 0.976502670119095 Energy: 0.9305180262797543 Energy: 0.976502670119095 Energy: 0.9305912767100479 Energy: 0.9765026701233158 Energy: 0.9086128479586412 Energy: 0.8994693780483896 Energy: 0.9086128479586412 Energy: 0.899469378047686 Energy: 0.9086128479579376 Energy: 0.8994693780512035 Energy: 0.9018208101845083 Energy: 0.9062978597365113 Energy: 0.9018208101831015 Energy: 0.9062978597365113 Energy: 0.9018208101852119 Energy: 0.9062978597372148 Energy: 0.9605604836449352 Energy: 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0.9017344059088348 Energy: 0.9321079728509787 Energy: 0.9017344059102417 Energy: 0.9321079728516821 Energy: 0.9260380041471122 Energy: 0.9692212777770234 Energy: 0.9260380041471122 Energy: 0.9692212777777268 Energy: 0.9260380041471122 Energy: 0.9692212777826511 minimum gb energy = 0.8588156805517034 eV minimum distance = 2.29379951800965 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 0.9061330059610022 Energy: 0.9075035578628665 Energy: 0.9061330059610022 Energy: 0.9075035578622594 Energy: 0.9061330059610022 Energy: 0.9075035578628665 Energy: 0.8882102385319718 Energy: 0.8766378212261942 Energy: 0.8882102385319718 Energy: 0.8766378212261942 Energy: 0.8882102385319718 Energy: 0.8766378212261942 Energy: 0.935107173721819 Energy: 0.8566975855566722 Energy: 0.8959515462369861 Energy: 0.8566975855566722 Energy: 0.8959515462375933 Energy: 0.8566975855566722 Energy: 0.8709018174780728 Energy: 0.8794318500175311 Energy: 0.8709018174780728 Energy: 0.8794318500175311 Energy: 0.8709018174780728 Energy: 0.8794318500175311 Energy: 0.8890565965651097 Energy: 0.8965870154336146 Energy: 0.8890565965651097 Energy: 0.8965870154330073 Energy: 0.8890565965651097 Energy: 0.8965870154336146 Energy: 0.8815241902998027 Energy: 0.8808631982380372 Energy: 0.8815241902998027 Energy: 0.8808631982380372 Energy: 0.8815241902991954 Energy: 0.8808631982380372 Energy: 0.8598335616685324 Energy: 0.9037357831639482 Energy: 0.8598335616685324 Energy: 0.9037357831645556 Energy: 0.8598335616685324 Energy: 0.9037357831645556 Energy: 0.8756997485907548 Energy: 0.9114338995444292 Energy: 0.8756997485913622 Energy: 0.9114338995444292 Energy: 0.8756997485913622 Energy: 0.9114338995444292 Energy: 0.9111635420798054 Energy: 0.860108012682506 Energy: 0.9111635420804127 Energy: 0.860108012682506 Energy: 0.9111635420816272 Energy: 0.860108012682506 Energy: 0.893361035849064 Energy: 0.8808013323164374 Energy: 0.893361035849064 Energy: 0.8808013323158302 Energy: 0.893361035849064 Energy: 0.8808013323164374 Energy: 0.8625246377069015 Energy: 0.9132549950434985 Energy: 0.8625246377069015 Energy: 0.9132549950434985 Energy: 0.8625246377062943 Energy: 0.9132549950434985 Energy: 0.8945423026587196 Energy: 0.8594807594210232 Energy: 0.8945423026587196 Energy: 0.8594807594210232 Energy: 0.8945423026599341 Energy: 0.8594807594210232 Energy: 0.8843359921845965 Energy: 0.8816281486804451 Energy: 0.8843359921845965 Energy: 0.8816281486810523 Energy: 0.8843359921852039 Energy: 0.8816281486810523 Energy: 0.8771966649533107 Energy: 0.8793337953409547 Energy: 0.8771966649533107 Energy: 0.8793337953409547 Energy: 0.8771966649527034 Energy: 0.8793337953409547 Energy: 0.9027744946162742 Energy: 0.8623608642530589 Energy: 0.9027744946162742 Energy: 0.8623608642536663 Energy: 0.9027744946162742 Energy: 0.8623608642530589 Energy: 0.8998459632822637 Energy: 0.8563680472089324 Energy: 0.8998459632822637 Energy: 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0.9174139284279469 Energy: 0.8605545308774103 Energy: 0.9066605917657427 Energy: 0.8823160904434612 Energy: 0.9066605917657427 Energy: 0.8823160904440686 Energy: 0.9066605917657427 Energy: 0.8823160904440686 Energy: 0.9021187408476501 Energy: 0.9098717415400254 Energy: 0.9021187408476501 Energy: 0.9098717415400254 Energy: 0.9021187408476501 Energy: 0.9098717415400254 Energy: 0.8905778683824679 Energy: 0.8653325045326279 Energy: 0.8905778683824679 Energy: 0.8653325045326279 Energy: 0.8905778683824679 Energy: 0.8653325045326279 Energy: 0.8920151217364733 Energy: 0.8729471582740597 Energy: 0.8920151217370804 Energy: 0.8729471582740597 Energy: 0.8920151217370804 Energy: 0.8729471582734524 Energy: 0.8567781969950543 Energy: 0.8881513008679228 Energy: 0.8567781969950543 Energy: 0.8881513008679228 Energy: 0.8567781969950543 Energy: 0.8881513008679228 Energy: 0.9099340489774408 Energy: 0.880545756604328 Energy: 0.9099340489774408 Energy: 0.880545756604328 Energy: 0.909934048978048 Energy: 0.8805457566037208 Energy: 0.8929319319622278 Energy: 0.8794587867772874 Energy: 0.8929319319622278 Energy: 0.8794587867760728 Energy: 0.8929319319622278 Energy: 0.8794587867760728 minimum gb energy = 0.8563680472089324 eV minimum distance = 2.3058483784124 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 0.8487586837596238 Energy: 0.88016304782153 Energy: 0.8487586837601575 Energy: 0.88016304782153 Energy: 0.8487586837601575 Energy: 0.88016304782153 Energy: 0.8846460003054519 Energy: 0.8477580624558639 Energy: 0.8846460003054519 Energy: 0.8365451910549708 Energy: 0.8846460003054519 Energy: 0.8365451910549708 Energy: 0.8640374630102008 Energy: 0.8204557717602733 Energy: 0.8640374630096671 Energy: 0.8204557717602733 Energy: 0.8640374630096671 Energy: 0.8204557717602733 Energy: 0.8051752523907093 Energy: 0.8949415192170571 Energy: 0.8051752523907093 Energy: 0.868750470952587 Energy: 0.8051752523896417 Energy: 0.868750470952587 Energy: 0.845515002651105 Energy: 0.8427559700233822 Energy: 0.845515002651105 Energy: 0.8427559700233822 Energy: 0.845515002651639 Energy: 0.8427559700233822 Energy: 0.860986766700639 Energy: 0.8198441540144218 Energy: 0.8609867667001053 Energy: 0.8198441540144218 Energy: 0.860986766700639 Energy: 0.8198441540144218 Energy: 0.8359867682612493 Energy: 0.8711110040523016 Energy: 0.8359867682612493 Energy: 0.8711110040528354 Energy: 0.8359867682612493 Energy: 0.8711110040528354 Energy: 0.80886889478075 Energy: 0.9011023054537934 Energy: 0.80886889478075 Energy: 0.869793185742141 Energy: 0.8088688947812838 Energy: 0.869793185742141 Energy: 0.857665444567368 Energy: 0.8226197603217826 Energy: 0.8576654445663006 Energy: 0.8226197603217826 Energy: 0.857665444567368 Energy: 0.8226197603217826 Energy: 0.8463530263632395 Energy: 0.8618673000703209 Energy: 0.8463530263632395 Energy: 0.8618673000703209 Energy: 0.8463530263627056 Energy: 0.8618673000703209 Energy: 0.8078917036166 Energy: 0.966118116604398 Energy: 0.8078917036166 Energy: 0.966118116604398 Energy: 0.8078917036166 Energy: 0.966118116604398 Energy: 0.9035340139921493 Energy: 0.8363547190185184 Energy: 0.9035340139916154 Energy: 0.8363547190185184 Energy: 0.903534013992683 Energy: 0.8363547190185184 Energy: 0.854294820381636 Energy: 0.8197408199345658 Energy: 0.8542948203811264 Energy: 0.819740819934032 Energy: 0.8542948203811264 Energy: 0.8197408199345658 Energy: 0.852344949318234 Energy: 0.8847457990708658 Energy: 0.852344949318234 Energy: 0.8847457990708658 Energy: 0.852344949318234 Energy: 0.8847457990708658 Energy: 0.8829410326395553 Energy: 0.8470743359676921 Energy: 0.8829410326395553 Energy: 0.8470743359676921 Energy: 0.8829410326395553 Energy: 0.8470743359676921 Energy: 0.8586116456632077 Energy: 0.8194137868383801 Energy: 0.8586116456621403 Energy: 0.8194137868383801 Energy: 0.8586116456632077 Energy: 0.8194137868383801 Energy: 0.8062458595807723 Energy: 0.8816046918404608 Energy: 0.8062458595807723 Energy: 0.881604691839927 Energy: 0.8062458595807723 Energy: 0.8816046918404608 Energy: 0.8076720624647785 Energy: 0.859976816992827 Energy: 0.8076720624647785 Energy: 0.8599768169933607 Energy: 0.8076720624642448 Energy: 0.8599768169949622 Energy: 0.8547322635123565 Energy: 0.8228036676523627 Energy: 0.8547322635107553 Energy: 0.8228036676528966 Energy: 0.8547322635118229 Energy: 0.8228036676528966 Energy: 0.8264295498723161 Energy: 0.8706719026717133 Energy: 0.8264295498733837 Energy: 0.8706719026717133 Energy: 0.82642954987285 Energy: 0.8706719026717133 Energy: 0.8073181897933241 Energy: 0.9572099076325437 Energy: 0.8073181897933241 Energy: 0.9572099076298746 Energy: 0.8073181897933241 Energy: 0.9572099076309423 Energy: 0.8986634696429251 Energy: 0.8173477571644681 Energy: 0.8986634696439927 Energy: 0.8173477571644681 Energy: 0.8986634696429251 Energy: 0.8173477571644681 Energy: 0.8973755835601727 Energy: 0.8227167338375039 Energy: 0.8973755835596388 Energy: 0.8227167338375039 Energy: 0.8973755835601727 Energy: 0.8227167338380377 Energy: 0.8051481646422264 Energy: 0.8820498239503979 Energy: 0.8051481646416926 Energy: 0.8820498239503979 Energy: 0.8051481646422264 Energy: 0.8820498239503979 Energy: 0.8928896942315384 Energy: 0.8463776486582634 Energy: 0.8928896942315384 Energy: 0.8463776486582634 Energy: 0.8928896942310046 Energy: 0.8463776486582634 Energy: 0.856949812594442 Energy: 0.8192114492277189 Energy: 0.856949812594442 Energy: 0.8192114492277189 Energy: 0.856949812594442 Energy: 0.8192114492277189 Energy: 0.8480708122873188 Energy: 0.8778330911885962 Energy: 0.8480708122867849 Energy: 0.8778330911885962 Energy: 0.8480708122873188 Energy: 0.8778330911885962 Energy: 0.8692961615763467 Energy: 0.8401332187532076 Energy: 0.8692961615758129 Energy: 0.8401332187526738 Energy: 0.8692961615763467 Energy: 0.8401332187526738 Energy: 0.8818731726318406 Energy: 0.829061539186351 Energy: 0.8818731726313069 Energy: 0.8290615391858172 Energy: 0.8818731726313069 Energy: 0.829061539186351 Energy: 0.8073708614199849 Energy: 0.8813398590772458 Energy: 0.8073708614199849 Energy: 0.8813398590767119 Energy: 0.8073708614199849 Energy: 0.8813398590767119 Energy: 0.8063322622397517 Energy: 0.8623469718102582 Energy: 0.8063322622397517 Energy: 0.8623469718102582 Energy: 0.8063322622397517 Energy: 0.8623469718102582 Energy: 0.8983520323939231 Energy: 0.8172850626428428 Energy: 0.8983520323944572 Energy: 0.8172850626433764 Energy: 0.8983520323939231 Energy: 0.8172850626433764 Energy: 0.8915078503102853 Energy: 0.8158627352692472 Energy: 0.8915078503102853 Energy: 0.8158627352692472 Energy: 0.8915078503102853 Energy: 0.8158627352692472 minimum gb energy = 0.8051481646416926 eV minimum distance = 2.32006306717393 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.015485465609495657 Energy: 0.5962925489750952 Energy: 0.015485465609495657 Energy: 0.5962925489750952 Energy: 0.015485465609495657 Energy: 0.5962925489750952 Energy: 0.016169602879306393 Energy: 0.22697574404695253 Energy: 0.016169602879306393 Energy: 0.22697574404695253 Energy: 0.016169602879306393 Energy: 0.22697574404695253 Energy: 1.4730442877774839 Energy: 0.2266207012670366 Energy: 0.5964054359093905 Energy: 0.2266206707600778 Energy: 0.5964054359176201 Energy: 0.22662067758144225 Energy: 0.016169602879306393 Energy: 0.22697574404695253 Energy: 0.016169602879306393 Energy: 0.22697574404739604 Energy: 0.016169602879306393 Energy: 0.22697574404695253 minimum gb energy = 0.015485465609495657 eV minimum distance = 2.5416026402885 Angstroms sigma value = 1