Model name: model_name=EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003 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=4.073718130588532 cohesive_energy=3.2103875034027074 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: 0.143095413925774 eV ======================================== theta = 0.0 ======================================== Energy: 0.009771946654690031 Energy: 0.23958266989388824 Energy: 0.009771946654443074 Energy: 0.23958266989388824 Energy: 0.009771946654690031 Energy: 0.23958266989388824 Energy: 0.2395826698941352 Energy: 73.24238379489637 Energy: 0.2395826698941352 Energy: 73.24238379489661 Energy: 0.2395826698941352 Energy: 73.24238379489637 Energy: 0.009771946654443074 Energy: 0.2395826698941352 Energy: 0.009771946654443074 Energy: 0.23958266989388824 Energy: 0.009771946654443074 Energy: 0.23958266989388824 Energy: 0.23958266989388824 Energy: 73.24238379489637 Energy: 0.23958266989388824 Energy: 73.24238379489661 Energy: 0.23958266989388824 Energy: 73.24238379489637 Energy: 0.009771946654690031 Energy: 0.2395826698941352 Energy: 0.009771946654443074 Energy: 0.2395826698941352 Energy: 0.009771946654690031 Energy: 0.23958266989388824 Energy: 0.23958266989388824 Energy: 73.24238379489637 Energy: 0.2395826698941352 Energy: 73.24238379489661 Energy: 0.23958266989388824 Energy: 73.24238379489637 minimum gb energy = 0.009771946654443074 eV minimum distance = 2.03685906529426 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 0.4541327232078393 Energy: 0.4153691838138304 Energy: 0.4541327232072449 Energy: 0.4153691838138304 Energy: 0.4541327232072449 Energy: 0.4153691838138304 Energy: 0.4638961597325707 Energy: 0.3980347266609313 Energy: 0.4638961597331651 Energy: 0.3980347266603368 Energy: 0.4638961597325707 Energy: 0.3980347266603368 Energy: 0.43113963600126826 Energy: 0.4317033410959122 Energy: 0.43113963600126826 Energy: 0.4317033410959122 Energy: 0.43113963600126826 Energy: 0.4317033410959122 Energy: 0.4178469286381026 Energy: 0.4152179916029909 Energy: 0.4178469286381026 Energy: 0.4152179916029909 Energy: 0.41784692863869716 Energy: 0.4152179916029909 Energy: 0.4239692999042008 Energy: 0.4487576690710185 Energy: 0.4239692999036064 Energy: 0.448757669071613 Energy: 0.4239692999042008 Energy: 0.4487576690710185 Energy: 0.4337101859787246 Energy: 0.4048155531324432 Energy: 0.43371018597813016 Energy: 0.4048155531324432 Energy: 0.4337101859787246 Energy: 0.4048155531324432 Energy: 0.4094045362979784 Energy: 0.4448416063227794 Energy: 0.4094045362979784 Energy: 0.4448416063227794 Energy: 0.4094045362979784 Energy: 0.44484160632337394 Energy: 0.4176184330074692 Energy: 0.46990797964883324 Energy: 0.4176184330074692 Energy: 0.46990797964942765 Energy: 0.4176184330080636 Energy: 0.46990797964942765 Energy: 0.44582766644623695 Energy: 0.4399815449993931 Energy: 0.44582766644680444 Energy: 0.43998154499998754 Energy: 0.44582766644680444 Energy: 0.43998154499998754 Energy: 0.3871076717962789 Energy: 0.45583710610639305 Energy: 0.3871076717980622 Energy: 0.4558371061057986 Energy: 0.3871076717968733 Energy: 0.45583710610639305 Energy: 0.4312495370069819 Energy: 0.40456948693256295 Energy: 0.43124953700817076 Energy: 0.40456948693256295 Energy: 0.43124953700757634 Energy: 0.40456948693256295 Energy: 0.3885073232847774 Energy: 0.46129181189974316 Energy: 0.38850732328537185 Energy: 0.4612918119003376 Energy: 0.38850732328537185 Energy: 0.46129181189974316 Energy: 0.45757876584781626 Energy: 0.38658195901125325 Energy: 0.4575787658484107 Energy: 0.38658195901125325 Energy: 0.4575787658472218 Energy: 0.38658195901125325 Energy: 0.4142007841955926 Energy: 0.4099559963165622 Energy: 0.41420078419499823 Energy: 0.4099559963165622 Energy: 0.41420078419499823 Energy: 0.4099559963165622 Energy: 0.48086335408650943 Energy: 0.39386780197941507 Energy: 0.48086335408710384 Energy: 0.39386780197941507 Energy: 0.48086335408710384 Energy: 0.39386780197941507 Energy: 0.4768281932208472 Energy: 0.438251542197265 Energy: 0.4768281932208472 Energy: 0.438251542197265 Energy: 0.47682819321965825 Energy: 0.438251542197265 Energy: 0.4361721359106754 Energy: 0.4305064239734996 Energy: 0.4361721359106754 Energy: 0.4305064239734996 Energy: 0.43617213591008097 Energy: 0.4305064239734996 Energy: 0.4317149009411302 Energy: 0.4237874620702946 Energy: 0.4317149009405358 Energy: 0.4237874620702946 Energy: 0.4317149009405358 Energy: 0.42378746206970014 Energy: 0.40200447790229954 Energy: 0.4312853960758963 Energy: 0.40200447790170507 Energy: 0.4312853960764907 Energy: 0.42454967596153376 Energy: 0.4312853960758963 Energy: 0.44340464572867744 Energy: 0.40469709835644185 Energy: 0.4434046457280829 Energy: 0.40469709835644185 Energy: 0.4434046457280829 Energy: 0.40469709835644185 Energy: 0.4002958865723617 Energy: 0.45688422449371857 Energy: 0.40029588657176723 Energy: 0.45688422449371857 Energy: 0.40029588657176723 Energy: 0.4568842244960964 Energy: 0.43600378362187686 Energy: 0.4400185042632379 Energy: 0.43600378362187686 Energy: 0.44001850426264355 Energy: 0.43600378362128245 Energy: 0.4400185042632379 Energy: 0.39096681137950046 Energy: 0.46256794772744386 Energy: 0.39096681137950046 Energy: 0.46256794772744386 Energy: 0.39096681137950046 Energy: 0.46256794772744386 minimum gb energy = 0.38658195901125325 eV minimum distance = 2.59124557005625 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 0.44049077146935345 Energy: 0.4462833158817551 Energy: 0.44049077146867727 Energy: 0.4462833158817551 Energy: 0.4404907714683391 Energy: 0.4462833158817551 Energy: 0.43579803523251204 Energy: 0.41490527405673894 Energy: 0.4357980352328501 Energy: 0.41490527405673894 Energy: 0.4357980352328501 Energy: 0.41490527405673894 Energy: 0.3868469885514616 Energy: 0.4142544359197194 Energy: 0.3868469885514616 Energy: 0.4142544359197194 Energy: 0.38684698855112354 Energy: 0.4142544359197194 Energy: 0.4408076725186233 Energy: 0.4440197884758095 Energy: 0.4408076725189614 Energy: 0.4440197884758095 Energy: 0.4408076725186233 Energy: 0.4440197884758095 Energy: 0.4148175103257804 Energy: 0.45232824741860334 Energy: 0.41481751032476605 Energy: 0.45232824741894145 Energy: 0.41481751032544234 Energy: 0.45232824741860334 Energy: 0.4145622120089427 Energy: 0.38688468546556387 Energy: 0.4145622120092809 Energy: 0.38688468546556387 Energy: 0.414562212009619 Energy: 0.38688468546556387 Energy: 0.4492677712060589 Energy: 0.4409089209327112 Energy: 0.44926777120572076 Energy: 0.4409089209327112 Energy: 0.4492677712060589 Energy: 0.4409089209327112 Energy: 0.3794524338459996 Energy: 0.4390332239975698 Energy: 0.379452433847014 Energy: 0.4390332239975698 Energy: 0.3794524338459996 Energy: 0.4390332239972316 Energy: 0.39837270117055823 Energy: 0.38663983567981913 Energy: 0.39837270116920576 Energy: 0.38663983567981913 Energy: 0.39837270116920576 Energy: 0.38663983567981913 Energy: 0.37703666834472993 Energy: 0.454079990852095 Energy: 0.37703666834472993 Energy: 0.4540799908517568 Energy: 0.37703666834472993 Energy: 0.454079990852095 Energy: 0.4527755882015295 Energy: 0.37604129592085833 Energy: 0.45277558820186764 Energy: 0.37604129592119645 Energy: 0.4527755882008533 Energy: 0.37604129592085833 Energy: 0.38518758378222945 Energy: 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= 2.70144991137934 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 0.453042384541588 Energy: 0.4421401999457949 Energy: 0.453042384541588 Energy: 0.4421401999457949 Energy: 0.453042384541588 Energy: 0.4421401999457949 Energy: 0.46109566771993005 Energy: 0.4135241022642894 Energy: 0.46109566771993005 Energy: 0.4135241022642894 Energy: 0.46109566771993005 Energy: 0.4135241022642894 Energy: 0.42238483772441987 Energy: 0.4399090067204224 Energy: 0.42238483772441987 Energy: 0.4399090067204224 Energy: 0.42238483772441987 Energy: 0.4399090067204224 Energy: 0.4282269368090851 Energy: 0.3960401534761937 Energy: 0.4282269368098685 Energy: 0.3960401534761937 Energy: 0.4282269368090851 Energy: 0.3960401534761937 Energy: 0.4363986483442762 Energy: 0.4311018550120534 Energy: 0.4363986483442762 Energy: 0.43110185501126996 Energy: 0.4363986483442762 Energy: 0.43110185501126996 Energy: 0.44068923871759236 Energy: 0.43121203833725164 Energy: 0.44068923871759236 Energy: 0.43121203833646826 Energy: 0.44068923871759236 Energy: 0.43121203833725164 Energy: 0.4297063729799916 Energy: 0.43371927074434674 Energy: 0.4297063729792081 Energy: 0.4337192707451301 Energy: 0.4297063729799916 Energy: 0.43371927074434674 Energy: 0.40693597088324207 Energy: 0.43147209422179233 Energy: 0.40693597088324207 Energy: 0.43147209422179233 Energy: 0.40693597088324207 Energy: 0.4314720942225757 Energy: 0.4824232689608584 Energy: 0.3951427569358551 Energy: 0.4824232689608584 Energy: 0.3951427569358551 Energy: 0.4824232689608584 Energy: 0.3951427569358551 Energy: 0.4084920405650021 Energy: 0.43858127794451574 Energy: 0.40849204056578553 Energy: 0.4385812779930706 Energy: 0.4084920405650021 Energy: 0.4385812779374648 Energy: 0.46801485963191325 Energy: 0.3872151875589746 Energy: 0.46801485963191325 Energy: 0.3872151875589746 Energy: 0.46801485963191325 Energy: 0.3872151875589746 Energy: 0.45306405018741613 Energy: 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Energy: 0.42805843631511603 Energy: 0.4311443151995441 Energy: 0.42805843631511603 Energy: 0.4311443151995441 minimum gb energy = 0.3872151875589746 eV minimum distance = 2.57082779291468 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 0.38193411902708607 Energy: 0.37247342817836276 Energy: 0.38193411902662144 Energy: 0.37247342817836276 Energy: 0.38193411902708607 Energy: 0.37247342817836276 Energy: 0.4039582138839205 Energy: 0.42967650932447166 Energy: 0.4039582138839205 Energy: 0.42967650932354223 Energy: 0.40395821388345576 Energy: 0.42967650932354223 Energy: 0.3559093623726666 Energy: 0.4288615949204819 Energy: 0.3559093623731313 Energy: 0.4288615949209466 Energy: 0.3559093623726666 Energy: 0.4288615949204819 Energy: 0.3979461424982526 Energy: 0.3586469339330062 Energy: 0.3979461424982526 Energy: 0.35864693393347086 Energy: 0.3979461424987173 Energy: 0.3586469339330062 Energy: 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Energy: 0.3820964502251201 Energy: 0.366828751561344 Energy: 0.3820964502251201 Energy: 0.36682875156087935 Energy: 0.3820964502251201 Energy: 0.36682699683393905 Energy: 0.38220556613952733 Energy: 0.36682699683254494 Energy: 0.38220556613952733 Energy: 0.3668269968334744 Energy: 0.38220556613999207 Energy: 0.397941270230215 Energy: 0.3586387390620822 Energy: 0.397941270230215 Energy: 0.3586387390620822 Energy: 0.3979412702297504 Energy: 0.3586387390620822 Energy: 0.3559009330546372 Energy: 0.42920541715022525 Energy: 0.3559009330546372 Energy: 0.42920541715022525 Energy: 0.35590093305510195 Energy: 0.4292054171506899 Energy: 0.4039699201972536 Energy: 0.42965371215025333 Energy: 0.4039699201963241 Energy: 0.42965371215025333 Energy: 0.4039699201972536 Energy: 0.429653712150718 Energy: 0.38193411902662144 Energy: 0.37247342817836276 Energy: 0.38193411902662144 Energy: 0.37247342817836276 Energy: 0.3819341190261567 Energy: 0.37247342817836276 Energy: 0.4039582138839205 Energy: 0.42967650932354223 Energy: 0.40395821388345576 Energy: 0.4296765093230775 Energy: 0.4039582138839205 Energy: 0.42967650932354223 Energy: 0.3559093623726666 Energy: 0.4288615949204819 Energy: 0.3559093623731313 Energy: 0.4288615949209466 Energy: 0.3559093623726666 Energy: 0.4288615949204819 minimum gb energy = 0.3559009330541726 eV minimum distance = 2.66475589403726 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 0.3598164807456735 Energy: 0.33803155801107 Energy: 0.3598164807456735 Energy: 0.33803155801107 Energy: 0.3598164807456735 Energy: 0.33803155801107 Energy: 0.39540546259605397 Energy: 0.32284011314411254 Energy: 0.39540546259605397 Energy: 0.3228401131429742 Energy: 0.39540546259605397 Energy: 0.3228401131418359 Energy: 0.32307687896248855 Energy: 0.4003998720230651 Energy: 0.32307687896248855 Energy: 0.4003998720230651 Energy: 0.32307687896248855 Energy: 0.4003998720230651 Energy: 0.37422193402457554 Energy: 0.33263073712853153 Energy: 0.37422193402457554 Energy: 0.33263073712853153 Energy: 0.37422193402457554 Energy: 0.33263073712853153 Energy: 0.3990123609952329 Energy: 0.32948636778690116 Energy: 0.3990123609952329 Energy: 0.32948636778690116 Energy: 0.3990123609963712 Energy: 0.3294863677857629 Energy: 0.3810448036927086 Energy: 0.4098240415771518 Energy: 0.3810448036927086 Energy: 0.4098240415771518 Energy: 0.3810448036927086 Energy: 0.4098240415771518 Energy: 0.32261921095150947 Energy: 0.35553156472167213 Energy: 0.32261921095150947 Energy: 0.35553156472167213 Energy: 0.32261921095150947 Energy: 0.35553156472167213 Energy: 0.3623239147995378 Energy: 0.3392922226101324 Energy: 0.3623239147983995 Energy: 0.3392922226101324 Energy: 0.3623239147995378 Energy: 0.3392922226101324 Energy: 0.3742017600906756 Energy: 0.34173690745260904 Energy: 0.3742017600906756 Energy: 0.34173690745260904 Energy: 0.3742017600906756 Energy: 0.34173690744919416 Energy: 0.3666559494756391 Energy: 0.3966361212762476 Energy: 0.3666559494756391 Energy: 0.3966361212762476 Energy: 0.3666559494756391 Energy: 0.3966361212762476 Energy: 0.35004444882847907 Energy: 0.32918052812368537 Energy: 0.35004444882847907 Energy: 0.32918052812368537 Energy: 0.35004444882847907 Energy: 0.32918052812368537 Energy: 0.39715500830647626 Energy: 0.3742168321129897 Energy: 0.3971550083076145 Energy: 0.3742168321129897 Energy: 0.3971550083076145 Energy: 0.3742168321129897 minimum gb energy = 0.32261921095150947 eV minimum distance = 2.56362551523367 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 0.32934930830229375 Energy: 0.312909950692826 Energy: 0.3293493083019739 Energy: 0.31290995069250616 Energy: 0.3293493083019739 Energy: 0.31290995069250616 Energy: 0.32268519683712965 Energy: 0.2552324094806935 Energy: 0.3226851968259355 Energy: 0.2552324094806935 Energy: 0.32268519682017843 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Energy: 0.3050095160567222 Energy: 0.3392877423035197 Energy: 0.3050095160573619 Energy: 0.33928774230383957 Energy: 0.3050095160567222 Energy: 0.33928774230383957 Energy: 0.3267321415994189 Energy: 0.29840523359700377 Energy: 0.32673214160197755 Energy: 0.2984052335973236 Energy: 0.32673214160037833 Energy: 0.2984052335966839 Energy: 0.3162343504122914 Energy: 0.30378403140725757 Energy: 0.31623435041325093 Energy: 0.30378403140725757 Energy: 0.3162343504129311 Energy: 0.30378403140725757 Energy: 0.3032111055878876 Energy: 0.29646396381820794 Energy: 0.3032111055875678 Energy: 0.2964639638185277 Energy: 0.3032111055882074 Energy: 0.2964639638185277 Energy: 0.2903545226151877 Energy: 0.3177397357761455 Energy: 0.2903545226158274 Energy: 0.31773973577678516 Energy: 0.29035452261646705 Energy: 0.3177397357764653 Energy: 0.32269634322267193 Energy: 0.2940935345870716 Energy: 0.32269634322363144 Energy: 0.2940935345867518 Energy: 0.32269634322267193 Energy: 0.2940935345867518 Energy: 0.3293493083019739 Energy: 0.3129099506905872 Energy: 0.32934930830101444 Energy: 0.3129099506905872 Energy: 0.32934930830133424 Energy: 0.3129099506905872 Energy: 0.32268519684544533 Energy: 0.25523240948101333 Energy: 0.32268519684672464 Energy: 0.2552324094813332 Energy: 0.32268519684608504 Energy: 0.25523240948101333 Energy: 0.2904529747650235 Energy: 0.31766231919471116 Energy: 0.2904529747669426 Energy: 0.3176623191963103 Energy: 0.29045297476598303 Energy: 0.31766231919471116 Energy: 0.303359536120907 Energy: 0.2964830345856797 Energy: 0.30335953612154665 Energy: 0.2964830345853599 Energy: 0.303359536120907 Energy: 0.29648303458599956 Energy: 0.31623375830506983 Energy: 0.3037427535784886 Energy: 0.31623375830570954 Energy: 0.3037427535784886 Energy: 0.31623375830475 Energy: 0.3037427535784886 minimum gb energy = 0.2522029273092335 eV minimum distance = 2.65660595209191 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 0.10236321390712098 Energy: 0.10601545790922458 Energy: 0.10236321390784905 Energy: 0.10601545790995265 Energy: 0.10236321390784905 Energy: 0.10601545790995265 Energy: 0.17127850174828502 Energy: 0.16875778928943969 Energy: 0.17127850174828502 Energy: 0.16875778928943969 Energy: 0.17127850174828502 Energy: 0.16875778929089583 Energy: 0.12992144451268622 Energy: 0.15072991788218293 Energy: 0.12992144451268622 Energy: 0.15072991788218293 Energy: 0.12992144451341428 Energy: 0.15072991788218293 Energy: 0.10781500396675042 Energy: 0.10254216188692854 Energy: 0.10781500396675042 Energy: 0.10254216188765661 Energy: 0.10781500396675042 Energy: 0.10254216188692854 Energy: 0.17108621438025265 Energy: 0.1693769993522136 Energy: 0.1710862143809807 Energy: 0.1693769993522136 Energy: 0.17108621438025265 Energy: 0.1693769993522136 Energy: 0.10248962389205331 Energy: 0.1325627379816908 Energy: 0.10248962389132525 Energy: 0.1325627379816908 Energy: 0.10248962389132525 Energy: 0.1325627379816908 Energy: 0.10234425628628745 Energy: 0.1325849365874132 Energy: 0.10234425628628745 Energy: 0.1325849365874132 Energy: 0.10234425628628745 Energy: 0.13258493658668513 Energy: 0.17109143496557636 Energy: 0.16938474150587804 Energy: 0.1710914349663044 Energy: 0.16938474150587804 Energy: 0.1710914349663044 Energy: 0.16938474150587804 Energy: 0.10781405212627708 Energy: 0.10253759359562219 Energy: 0.10781405212627708 Energy: 0.10253759359489413 Energy: 0.10781405212627708 Energy: 0.10253759359562219 Energy: 0.12994276181509043 Energy: 0.15076172718091876 Energy: 0.12994276181509043 Energy: 0.15076172718091876 Energy: 0.12994276181509043 Energy: 0.15076172718091876 Energy: 0.17129022669295188 Energy: 0.16874454562453794 Energy: 0.17129022669222385 Energy: 0.16874454562453794 Energy: 0.17129022669295188 Energy: 0.16874454562453794 Energy: 0.10236321390712098 Energy: 0.10601545790995265 Energy: 0.10236321390712098 Energy: 0.10601545790922458 Energy: 0.10236321390712098 Energy: 0.10601545790995265 Energy: 0.17127850174828502 Energy: 0.16875778929016774 Energy: 0.17127850174828502 Energy: 0.16875778929089583 Energy: 0.17127850174828502 Energy: 0.16875778929016774 Energy: 0.12992144451268622 Energy: 0.15072991788218293 Energy: 0.12992144451268622 Energy: 0.15072991788218293 Energy: 0.12992144451268622 Energy: 0.15072991788218293 Energy: 0.10781500396675042 Energy: 0.10254216188765661 Energy: 0.10781500396602235 Energy: 0.10254216188692854 Energy: 0.10781500396675042 Energy: 0.10254216188765661 Energy: 0.1710862143809807 Energy: 0.1693769993522136 Energy: 0.1710862143809807 Energy: 0.1693769993522136 Energy: 0.1710862143809807 Energy: 0.1693769993522136 Energy: 0.10248962389205331 Energy: 0.1325627379816908 Energy: 0.10248962389205331 Energy: 0.1325627379816908 Energy: 0.10248962389205331 Energy: 0.1325627379816908 Energy: 0.10234425628628745 Energy: 0.1325849365874132 Energy: 0.10234425628628745 Energy: 0.1325849365874132 Energy: 0.10234425628555939 Energy: 0.13258493658668513 Energy: 0.1710914349663044 Energy: 0.16938474150660607 Energy: 0.17109143496557636 Energy: 0.16938474150587804 Energy: 0.1710914349663044 Energy: 0.16938474150587804 minimum gb energy = 0.10234425628555939 eV minimum distance = 2.73116009892166 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 0.24941984621619356 Energy: 0.2490129089359848 Energy: 0.24941984621566027 Energy: 0.24901290893491812 Energy: 0.24941984621726018 Energy: 0.2490129089359848 Energy: 0.3114830704408757 Energy: 0.22918154885672884 Energy: 0.3114830704398091 Energy: 0.22918154885726222 Energy: 0.31148307044194234 Energy: 0.22918154885726222 Energy: 0.2875674545443775 Energy: 0.2666833617743173 Energy: 0.2875674545449108 Energy: 0.2666833617764505 Energy: 0.2875674545449108 Energy: 0.2666833617748506 Energy: 0.26769266401846353 Energy: 0.22808428562452776 Energy: 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Energy: 0.26321574977929596 Energy: 0.20819724227955957 Energy: 0.2632157497787626 Energy: 0.24226089878822266 Energy: 0.30060943233403536 Energy: 0.2422608987892893 Energy: 0.30060943233403536 Energy: 0.242260898788756 Energy: 0.30060943233350207 Energy: 0.2318383985167856 Energy: 0.2197860105586323 Energy: 0.23183839851571897 Energy: 0.2197860105591656 Energy: 0.23183839851625226 Energy: 0.2197860105591656 Energy: 0.24504089373648033 Energy: 0.23050616454980014 Energy: 0.24504089373594704 Energy: 0.23050616455033343 Energy: 0.24504089373648033 Energy: 0.23050616455033343 Energy: 0.27649636461532034 Energy: 0.34533694913322277 Energy: 0.2764963646142537 Energy: 0.34533694913375607 Energy: 0.27649636461585364 Energy: 0.34533694913322277 Energy: 0.3105649121519516 Energy: 0.21704278086635728 Energy: 0.3105649121519516 Energy: 0.21704278086315743 Energy: 0.3105649121514182 Energy: 0.21704278086795728 Energy: 0.2360278863792299 Energy: 0.24880937691662924 Energy: 0.2360278863797632 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Energy: 0.25128865582556303 Energy: 0.23530544560290162 Energy: 0.33294391381338007 Energy: 0.34292883478946373 Energy: 0.3329439138135817 Energy: 0.34292883478906044 Energy: 0.33294391381338007 Energy: 0.34292883478926206 Energy: 0.2512702866972451 Energy: 0.235371416343356 Energy: 0.2512702866972451 Energy: 0.23537141634373687 Energy: 0.2512702866972451 Energy: 0.23537141634315434 Energy: 0.2768756221853518 Energy: 0.25910197034189075 Energy: 0.2768756221853518 Energy: 0.25910197034189075 Energy: 0.27687562218494854 Energy: 0.2591019703420923 Energy: 0.2512886558251598 Energy: 0.23530544560249833 Energy: 0.25128865582556303 Energy: 0.23530544560231909 Energy: 0.2512886558253614 Energy: 0.23530544560249833 Energy: 0.33294391381416427 Energy: 0.3429288347884779 Energy: 0.33294391381416427 Energy: 0.3429288347886796 Energy: 0.33294391381416427 Energy: 0.3429288347888588 minimum gb energy = 0.23530544560231909 eV minimum distance = 2.70798626923824 Angstroms sigma value = 3 ======================================== theta = 77.88488253796277 ======================================== Energy: 0.38496541880434526 Energy: 0.31117606338748993 Energy: 0.38496541880434526 Energy: 0.3111760633871973 Energy: 0.3849654188024916 Energy: 0.3111760633871973 Energy: 0.3301019825680065 Energy: 0.29391539775320485 Energy: 0.33010198256771384 Energy: 0.29391539775320485 Energy: 0.3301019825680065 Energy: 0.29391539775291214 Energy: 0.3136546476088567 Energy: 0.3352544862340934 Energy: 0.3136546476099299 Energy: 0.3352544862340934 Energy: 0.3136546476091494 Energy: 0.33525448623116644 Energy: 0.34126866788818155 Energy: 0.29763429873181096 Energy: 0.34126866788847426 Energy: 0.2976342987315671 Energy: 0.34126866788657184 Energy: 0.2976342987321037 Energy: 0.33860719060160716 Energy: 0.3220784187346488 Energy: 0.3386071906032169 Energy: 0.3220784187346488 Energy: 0.3386071906026803 Energy: 0.3220784187346488 Energy: 0.3088037244660275 Energy: 0.3314312809388099 Energy: 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0.2730723079301493 Energy: 0.3429075839144431 Energy: 0.2730723079301493 Energy: 0.3429075839144431 Energy: 0.27307230793067006 Energy: 0.3429075839144431 Energy: 0.26620047842414524 Energy: 0.34960634986449585 Energy: 0.26620047842310374 Energy: 0.34960634986449585 Energy: 0.26620047842414524 Energy: 0.34960634986449585 Energy: 0.25447377957340517 Energy: 0.2696125330878731 Energy: 0.2544737795744467 Energy: 0.26961253308735234 Energy: 0.25447377957340517 Energy: 0.26961253308735234 Energy: 0.2435130216340966 Energy: 0.31533315180244526 Energy: 0.2435130216340966 Energy: 0.31533315180244526 Energy: 0.24351302163357585 Energy: 0.31533315180244526 minimum gb energy = 0.23545738033807392 eV minimum distance = 2.63409257036084 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 0.22590043337940827 Energy: 0.22474434934596016 Energy: 0.22590043337864937 Energy: 0.22474434934596016 Energy: 0.22590043337864937 Energy: 0.22474434934596016 Energy: 0.2541267064158604 Energy: 0.22348493761577523 Energy: 0.2541267064151015 Energy: 0.2234849376153958 Energy: 0.2541267064158604 Energy: 0.2234849376153958 Energy: 0.2605021507220124 Energy: 0.25034527444711285 Energy: 0.26050215071973576 Energy: 0.25034527444711285 Energy: 0.2605021507216329 Energy: 0.25034527444711285 Energy: 0.2206731852646692 Energy: 0.24354637608984672 Energy: 0.2206731852661869 Energy: 0.24354637608946725 Energy: 0.22067318526542803 Energy: 0.24354637608984672 Energy: 0.25245154851768803 Energy: 0.21457053111559737 Energy: 0.25245154851730855 Energy: 0.21457053111559737 Energy: 0.25245154851730855 Energy: 0.21457053111559737 Energy: 0.23894529563646177 Energy: 0.24579183669846952 Energy: 0.23894529563646177 Energy: 0.2457918366980901 Energy: 0.23894529563608233 Energy: 0.2457918366980901 Energy: 0.28708891144690946 Energy: 0.2314928009015153 Energy: 0.28708891144804777 Energy: 0.2314928009015153 Energy: 0.2870889114472888 Energy: 0.2314928009015153 Energy: 0.2523009672585337 Energy: 0.28117430916673813 Energy: 0.25230096725891316 Energy: 0.28117430916673813 Energy: 0.25230096725777484 Energy: 0.28117430916673813 Energy: 0.22815230284438343 Energy: 0.24886484658390512 Energy: 0.22815230284362453 Energy: 0.24886484658390512 Energy: 0.228152302844004 Energy: 0.24886484658390512 Energy: 0.25418237134140415 Energy: 0.22100257257049627 Energy: 0.25418237134178356 Energy: 0.22100257257087566 Energy: 0.25418237134178356 Energy: 0.22100257257087566 Energy: 0.27984047533419776 Energy: 0.27729121200895923 Energy: 0.2798404753330595 Energy: 0.2772912120085798 Energy: 0.27984047533381834 Energy: 0.27729121200895923 Energy: 0.21689134307657898 Energy: 0.24841721193876073 Energy: 0.2168913430769584 Energy: 0.24841721193914015 Energy: 0.21689134307619953 Energy: 0.24841721193914015 Energy: 0.25397917677236265 Energy: 0.21311170251326111 Energy: 0.25397917677160375 Energy: 0.21311170251326111 Energy: 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0.211450571993744 Energy: 0.25611786564201966 Energy: 0.21905033652204303 Energy: 0.2484362682537964 Energy: 0.21905033652394018 Energy: 0.2484362682537964 Energy: 0.21905033652242245 Energy: 0.24843626825341694 Energy: 0.25018903105075124 Energy: 0.21360025508510871 Energy: 0.25018903104999235 Energy: 0.21360025508510871 Energy: 0.25018903104999235 Energy: 0.21360025508434985 Energy: 0.21923682460880475 Energy: 0.2516841005857943 Energy: 0.2192368246080459 Energy: 0.2516841005857943 Energy: 0.21923682460842533 Energy: 0.2516841005857943 Energy: 0.2265585424988432 Energy: 0.2520009454586737 Energy: 0.22655854249922258 Energy: 0.25200094545829427 Energy: 0.2265585424988432 Energy: 0.25200094545829427 Energy: 0.2650899219572843 Energy: 0.21404976064931494 Energy: 0.2650899219572843 Energy: 0.21404976064931494 Energy: 0.2650899219569049 Energy: 0.21404976064931494 Energy: 0.20353098854888077 Energy: 0.24905049383438885 Energy: 0.20353098854888077 Energy: 0.24905049383476832 Energy: 0.20353098854926024 Energy: 0.24905049383438885 Energy: 0.21366396597236637 Energy: 0.24282031514296634 Energy: 0.21366396597160753 Energy: 0.24282031514296634 Energy: 0.21366396597160753 Energy: 0.24282031514296634 Energy: 0.2365740487693797 Energy: 0.2104345831200247 Energy: 0.2365740487693797 Energy: 0.2104345831200247 Energy: 0.23657404876900032 Energy: 0.2104345831200247 Energy: 0.1960359046213402 Energy: 0.24831540827652193 Energy: 0.1960359046213402 Energy: 0.24831540827766024 Energy: 0.1960359046213402 Energy: 0.2483154082769014 Energy: 0.2127423851537527 Energy: 0.22689485005103055 Energy: 0.21274238515413216 Energy: 0.22689485005103055 Energy: 0.21274238515337324 Energy: 0.22689485005103055 Energy: 0.22051792578172547 Energy: 0.25054133573318804 Energy: 0.22051792578210488 Energy: 0.2505413357335675 Energy: 0.22051792578286378 Energy: 0.2505413357339469 Energy: 0.19476675786608916 Energy: 0.24855591359203433 Energy: 0.1947667578653303 Energy: 0.24855591358937829 Energy: 0.19476675786608916 Energy: 0.24855591358975776 Energy: 0.21321972297469888 Energy: 0.22041159350656409 Energy: 0.21321972297545772 Energy: 0.22041159350656409 Energy: 0.21321972297545772 Energy: 0.22041159350656409 Energy: 0.21471522289141176 Energy: 0.2847719722415302 Energy: 0.21471522289103237 Energy: 0.2847719722411508 Energy: 0.21471522289217063 Energy: 0.2847719722411508 Energy: 0.28008037107313677 Energy: 0.2827949286562028 Energy: 0.28008037107275724 Energy: 0.28279492865585787 Energy: 0.28008037107313677 Energy: 0.28279492865585787 Energy: 0.2416038839378367 Energy: 0.21531815719208797 Energy: 0.24160388393821616 Energy: 0.21531815719208797 Energy: 0.2416038839378367 Energy: 0.2153181571917085 Energy: 0.19378036601833226 Energy: 0.2481589475944777 Energy: 0.1937803660175734 Energy: 0.24815894759599544 Energy: 0.19378036601833226 Energy: 0.24815894759599544 minimum gb energy = 0.1937803660175734 eV minimum distance = 2.6413751187947 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.0061468741243674895 Energy: 0.024062075753160612 Energy: 0.0061468741243674895 Energy: 0.02406207575301803 Energy: 0.00614687412422491 Energy: 0.024062075753160612 Energy: 0.1853914601261501 Energy: 0.024451977666647803 Energy: 0.18539146012557978 Energy: 0.024451977672081723 Energy: 0.18539146012627683 Energy: 0.024451977672921364 Energy: 0.18538301923457878 Energy: 0.024098186110159847 Energy: 0.18538301923472136 Energy: 0.024098186155722377 Energy: 0.1853830192340243 Energy: 0.024098186162692995 Energy: 0.006146874124494229 Energy: 0.02406207575301803 Energy: 0.00614687412463681 Energy: 0.024062075753160612 Energy: 0.0061468741243674895 Energy: 0.024062075753303196 Energy: 0.18539146012545304 Energy: 0.024451977645609194 Energy: 0.18539146012557978 Energy: 0.024451977644769553 Energy: 0.1853914601251679 Energy: 0.02445197764351801 Energy: 0.18538301923443617 Energy: 0.02409818605469587 Energy: 0.18538301923472136 Energy: 0.0240981861451397 Energy: 0.18538301923457878 Energy: 0.024098186090784682 Energy: 0.00614687412463681 Energy: 0.024062075753303196 Energy: 0.00614687412463681 Energy: 0.024062075753160612 Energy: 0.00614687412463681 Energy: 0.024062075753303196 Energy: 0.18539146012586497 Energy: 0.024451977602264592 Energy: 0.1853914601253105 Energy: 0.024451977606446972 Energy: 0.18539146012641944 Energy: 0.024451977612435366 Energy: 0.18538301923457878 Energy: 0.024098186078237563 Energy: 0.18538301923457878 Energy: 0.02409818608047133 Energy: 0.1853830192340243 Energy: 0.024098186122136645 Energy: 0.006146874124494229 Energy: 0.024062075753160612 Energy: 0.006146874124494229 Energy: 0.024062075753303196 Energy: 0.0061468741243674895 Energy: 0.02406207575301803 minimum gb energy = 0.00614687412422491 eV minimum distance = 2.84764093333855 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 0.22738591910276865 Energy: 0.2118836972531764 Energy: 0.22738591910193423 Energy: 0.2118836972535936 Energy: 0.22738591910235145 Energy: 0.2118836972535936 Energy: 0.2157640689535315 Energy: 0.23099902027608835 Energy: 0.2157640689531143 Energy: 0.23099902027650548 Energy: 0.2157640689539487 Energy: 0.23099902027608835 Energy: 0.2267427458283126 Energy: 0.23065398256231825 Energy: 0.22674274582872977 Energy: 0.23065398256231825 Energy: 0.22674274582872977 Energy: 0.23065398256231825 Energy: 0.2446578324492131 Energy: 0.21403113722998926 Energy: 0.24465783245004746 Energy: 0.21403113722957207 Energy: 0.2446578324492131 Energy: 0.21403113722915484 Energy: 0.18254633053155178 Energy: 0.21343454849529722 Energy: 0.18254633053196898 Energy: 0.21343454849529722 Energy: 0.18254633053196898 Energy: 0.21343454849529722 Energy: 0.22678891466878698 Energy: 0.2302083911807724 Energy: 0.2267889146692042 Energy: 0.2302083911811896 Energy: 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0.23678653194282104 Energy: 0.24082408884095108 Energy: 0.2297167238594344 Energy: 0.18472193776875453 Energy: 0.2297167238598516 Energy: 0.18472193776833734 Energy: 0.2297167238598516 Energy: 0.18472193776875453 Energy: 0.2020053109043874 Energy: 0.23858243979362612 Energy: 0.2020053109043874 Energy: 0.23858243979362612 Energy: 0.2020053109043874 Energy: 0.23858243979362612 Energy: 0.2295657800123566 Energy: 0.23147185078765456 Energy: 0.2295657800123566 Energy: 0.23147185078765456 Energy: 0.22956578001193942 Energy: 0.23147185078723737 Energy: 0.23065004555062468 Energy: 0.18158871384729292 Energy: 0.23065004554979027 Energy: 0.1815887138468757 Energy: 0.23065004554979027 Energy: 0.1815887138468757 Energy: 0.2139398183539359 Energy: 0.24411041284237264 Energy: 0.2139398183539359 Energy: 0.24411041284195545 Energy: 0.2139398183539359 Energy: 0.24411041284195545 Energy: 0.21691609318451965 Energy: 0.22405753182298346 Energy: 0.21691609318410246 Energy: 0.22405753182298346 Energy: 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0.24937288708377506 Energy: 0.21211772450456415 Energy: 0.22979058076858414 Energy: 0.22563307695043056 Energy: 0.2297905807690013 Energy: 0.22563307695043056 Energy: 0.22979058076858414 Energy: 0.22563307695043056 Energy: 0.21207194481158517 Energy: 0.23074229171116425 Energy: 0.21207194481241953 Energy: 0.2307422917115814 Energy: 0.21207194481158517 Energy: 0.2307422917115814 Energy: 0.2539377473184764 Energy: 0.18136823725585038 Energy: 0.25393774731889357 Energy: 0.18136823725585038 Energy: 0.25393774731889357 Energy: 0.18136823725585038 Energy: 0.231318714349526 Energy: 0.23037079756859588 Energy: 0.2313187143491088 Energy: 0.2303707975681787 Energy: 0.231318714349526 Energy: 0.23037079756859588 Energy: 0.20305555462928487 Energy: 0.2308905341819655 Energy: 0.20305555462886768 Energy: 0.2308905341819655 Energy: 0.20305555462928487 Energy: 0.2308905341819655 Energy: 0.2558885183572551 Energy: 0.1969116568988596 Energy: 0.2558885183580895 Energy: 0.1969116568988596 Energy: 0.2558885183576723 Energy: 0.1969116568984424 Energy: 0.23427572549242245 Energy: 0.22760674966712213 Energy: 0.23427572549242245 Energy: 0.22760674966712213 Energy: 0.23427572549242245 Energy: 0.22760674966712213 Energy: 0.1960265823775618 Energy: 0.2305053660379342 Energy: 0.1960265823775618 Energy: 0.2305053660383514 Energy: 0.196026582377979 Energy: 0.2305053660383514 Energy: 0.23563703083995924 Energy: 0.22785031415685805 Energy: 0.23563703083995924 Energy: 0.22785031415685805 Energy: 0.23563703084035742 Energy: 0.22785031415685805 minimum gb energy = 0.18136823725585038 eV minimum distance = 2.70585028705251 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 0.3158875030620114 Energy: 0.268129307110583 Energy: 0.31588750306141694 Energy: 0.268129307110583 Energy: 0.3158875030620114 Energy: 0.26812930710998856 Energy: 0.2720168974971511 Energy: 0.30352706894358583 Energy: 0.27201689749833996 Energy: 0.30352706894358583 Energy: 0.2720168974971511 Energy: 0.30352706894358583 Energy: 0.29469428301253164 Energy: 0.2994468954545224 Energy: 0.29469428301134276 Energy: 0.2994468954545224 Energy: 0.29469428301253164 Energy: 0.29944689545392794 Energy: 0.30260546237044644 Energy: 0.26629788949907884 Energy: 0.30260546237104097 Energy: 0.26629788949907884 Energy: 0.30260546237044644 Energy: 0.26629788949967326 Energy: 0.2359550827146595 Energy: 0.2682620615215689 Energy: 0.2359550827146595 Energy: 0.2682620615209745 Energy: 0.2359550827146595 Energy: 0.2682620615209745 Energy: 0.2934367779692801 Energy: 0.29539587235518316 Energy: 0.2934367779692801 Energy: 0.29539587235518316 Energy: 0.2934367779692801 Energy: 0.29539587235518316 Energy: 0.27216184269041016 Energy: 0.2612744774192658 Energy: 0.27216184269041016 Energy: 0.261274477416888 Energy: 0.27216184269041016 Energy: 0.261274477416888 Energy: 0.2638095663032684 Energy: 0.26726679343108145 Energy: 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0.26885027967391284 Energy: 0.3045854084591689 Energy: 0.26885027967331837 Energy: 0.3045854084591689 Energy: 0.2761027744818993 Energy: 0.271590799364767 Energy: 0.2761027744836827 Energy: 0.271590799364767 Energy: 0.2761027744830882 Energy: 0.271590799364767 Energy: 0.305776089508463 Energy: 0.279288619188343 Energy: 0.3057760895078686 Energy: 0.2792886191889375 Energy: 0.3057760895078686 Energy: 0.279288619188343 Energy: 0.2764213339543033 Energy: 0.3005500265989206 Energy: 0.2764213339543033 Energy: 0.3005500265983262 Energy: 0.2764213339543033 Energy: 0.3005500265995151 Energy: 0.28198956630836075 Energy: 0.26708988718660576 Energy: 0.2819895663089552 Energy: 0.26708988718720017 Energy: 0.28198956630836075 Energy: 0.26708988718720017 Energy: 0.29482581944052544 Energy: 0.2970774800860499 Energy: 0.2948258194417143 Energy: 0.2970774800860499 Energy: 0.29482581944111996 Energy: 0.2970774800860499 Energy: 0.2382454251179367 Energy: 0.30083399962132606 Energy: 0.23824542511853117 Energy: 0.30083399962132606 Energy: 0.23824542511853117 Energy: 0.30083399962132606 Energy: 0.29885478446019936 Energy: 0.272251676657681 Energy: 0.29885478446019936 Energy: 0.272251676657681 Energy: 0.29885478446019936 Energy: 0.272251676657681 Energy: 0.30076213627349774 Energy: 0.31219782134935053 Energy: 0.30076213625388076 Energy: 0.31219782134935053 Energy: 0.30076213626398646 Energy: 0.31219782134935053 Energy: 0.24787574987855732 Energy: 0.29889515239039155 Energy: 0.24787574987855732 Energy: 0.29889515239039155 Energy: 0.24787574987855732 Energy: 0.29889515239039155 minimum gb energy = 0.2359550827146595 eV minimum distance = 2.7221586995663 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 0.3512792090079558 Energy: 0.2918898266655316 Energy: 0.35127920900871 Energy: 0.2918898266655316 Energy: 0.3512792090079558 Energy: 0.2918898266655316 Energy: 0.27055758928294155 Energy: 0.33239821807858616 Energy: 0.2705575892825644 Energy: 0.33239821807858616 Energy: 0.27055758928218726 Energy: 0.33239821807858616 Energy: 0.29599887408363135 Energy: 0.33125993606111986 Energy: 0.2959988740847626 Energy: 0.33125993606111986 Energy: 0.29599887408363135 Energy: 0.33125993606111986 Energy: 0.2730420234131143 Energy: 0.3007615875842607 Energy: 0.27304202341386846 Energy: 0.3007615875842607 Energy: 0.2730420234127372 Energy: 0.3007615875842607 Energy: 0.281700451882302 Energy: 0.29255809139467637 Energy: 0.2817004518830562 Energy: 0.2925580913954306 Energy: 0.2817004518830562 Energy: 0.29255809139392214 Energy: 0.3230822140649941 Energy: 0.2646953809878835 Energy: 0.32308221406348564 Energy: 0.2646953809878835 Energy: 0.3230822140649941 Energy: 0.2646953809878835 Energy: 0.2731668281132243 Energy: 0.2879211655642206 Energy: 0.2731668281136014 Energy: 0.2879211655645977 Energy: 0.27316682811247006 Energy: 0.2879211655630892 Energy: 0.2969778578435348 Energy: 0.26746258785779475 Energy: 0.2969778578435348 Energy: 0.26746258785817184 Energy: 0.2969778578435348 Energy: 0.26746258785779475 Energy: 0.32816812748723306 Energy: 0.3027541067082372 Energy: 0.32816812748610175 Energy: 0.3027541067082372 Energy: 0.32816812748723306 Energy: 0.3027541067082372 Energy: 0.3439321645377703 Energy: 0.2743637722718389 Energy: 0.3439321645373932 Energy: 0.2743637722718389 Energy: 0.3439321645373932 Energy: 0.2743637722718389 Energy: 0.31374767274999077 Energy: 0.33380222905903206 Energy: 0.31374767275074494 Energy: 0.3338022290594092 Energy: 0.31374767274999077 Energy: 0.33380222905903206 Energy: 0.27174859389120054 Energy: 0.2746553367188765 Energy: 0.27174859389120054 Energy: 0.27465533671925363 Energy: 0.27174859389157763 Energy: 0.2746553367188765 Energy: 0.34514903052897034 Energy: 0.30808041159583965 Energy: 0.34514903052897034 Energy: 0.30808041159583965 Energy: 0.3451490305293475 Energy: 0.30808041159583965 Energy: 0.2783042766246931 Energy: 0.3315668927150803 Energy: 0.2783042766254473 Energy: 0.3315668927150803 Energy: 0.278304276624316 Energy: 0.3315668927150803 Energy: 0.287097975337324 Energy: 0.3133478488450794 Energy: 0.2870979753377011 Energy: 0.3133478488450794 Energy: 0.2870979753377011 Energy: 0.3133478488450794 Energy: 0.2729596289732321 Energy: 0.3375592232919238 Energy: 0.27295962897360926 Energy: 0.3375592232919238 Energy: 0.2729596289732321 Energy: 0.3375592232915467 Energy: 0.2742342003691039 Energy: 0.33086949845032915 Energy: 0.27423420036948104 Energy: 0.330869498449952 Energy: 0.2742342003687268 Energy: 0.330869498449952 Energy: 0.309991087074322 Energy: 0.3521016045279528 Energy: 0.30999108707356776 Energy: 0.3521016045279528 Energy: 0.30999108707394485 Energy: 0.3521016045279528 Energy: 0.27331929411231853 Energy: 0.33456336681833415 Energy: 0.27331929411231853 Energy: 0.33456336681833415 Energy: 0.27331929411194145 Energy: 0.334563366817957 Energy: 0.29983388927504184 Energy: 0.3329556125806607 Energy: 0.2998338892742876 Energy: 0.3329556125806607 Energy: 0.2998338892739105 Energy: 0.3329556125806607 Energy: 0.2734193800354272 Energy: 0.3313483615334368 Energy: 0.27341938003470734 Energy: 0.3313483615334368 Energy: 0.27341938003618144 Energy: 0.3313483615334368 Energy: 0.2871279805991095 Energy: 0.26532219709957194 Energy: 0.28712798059760103 Energy: 0.26532219709957194 Energy: 0.2871279805991095 Energy: 0.26532219709957194 Energy: 0.30590114207908725 Energy: 0.33375119600707776 Energy: 0.30590114207908725 Energy: 0.33375119600707776 Energy: 0.3059011420787101 Energy: 0.3337511960067006 Energy: 0.3433860067940824 Energy: 0.303646868822968 Energy: 0.3433860067937053 Energy: 0.3036468688252306 Energy: 0.3433860067940824 Energy: 0.3036468688252306 Energy: 0.26994392769254977 Energy: 0.2738793134193534 Energy: 0.2699439276917955 Energy: 0.2738793134189763 Energy: 0.2699439276921726 Energy: 0.2738793134189763 Energy: 0.31456558191391015 Energy: 0.3375746467150423 Energy: 0.314565581913156 Energy: 0.3375746467150423 Energy: 0.31456558191353307 Energy: 0.3375746467150423 Energy: 0.27313516790213116 Energy: 0.2652937878208756 Energy: 0.27313516790213116 Energy: 0.2652937878208756 Energy: 0.27313516790250825 Energy: 0.26529378782125274 Energy: 0.26969015325555074 Energy: 0.31401579698387494 Energy: 0.2696901532559279 Energy: 0.31401579698387494 Energy: 0.26969015325555074 Energy: 0.31401579698387494 Energy: 0.29663089028941314 Energy: 0.3128043828320666 Energy: 0.29663089028903605 Energy: 0.3128043828320666 Energy: 0.29663089028941314 Energy: 0.31280438283244366 Energy: 0.2731981559851219 Energy: 0.28510754487465056 Energy: 0.27319815598663033 Energy: 0.28510754487465056 Energy: 0.273198155985499 Energy: 0.28510754487465056 Energy: 0.31666460565597715 Energy: 0.34866217159290824 Energy: 0.3166646056567313 Energy: 0.3486621715932853 Energy: 0.31666460565597715 Energy: 0.3486621715932853 Energy: 0.281509015375535 Energy: 0.31403693559147544 Energy: 0.2815090153759122 Energy: 0.31403693559147544 Energy: 0.2815090153759122 Energy: 0.31403693559147544 Energy: 0.27275795416739845 Energy: 0.3149417677804192 Energy: 0.2727579541662671 Energy: 0.3149417677804192 Energy: 0.27275795416702125 Energy: 0.3149417677800421 Energy: 0.287818016616194 Energy: 0.3145458105747731 Energy: 0.2878180166154398 Energy: 0.3145458105747731 Energy: 0.287818016616194 Energy: 0.3145458105747731 Energy: 0.2737268714210349 Energy: 0.3309418928004892 Energy: 0.273726871421412 Energy: 0.3309418928004892 Energy: 0.273726871421412 Energy: 0.3309418928004892 Energy: 0.3512720550061776 Energy: 0.2928164695889079 Energy: 0.35127205500580055 Energy: 0.2928164695889079 Energy: 0.35127205500580055 Energy: 0.2928164695889079 Energy: 0.27083818239943785 Energy: 0.31179881428377 Energy: 0.27083818239943785 Energy: 0.3117988142833929 Energy: 0.27083818239906077 Energy: 0.3117988142833929 minimum gb energy = 0.2646953809878835 eV minimum distance = 2.66255562480619 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.3658208160601589 Energy: 0.35435909752777084 Energy: 0.36582081606118855 Energy: 0.3543590975267412 Energy: 0.3658208160601589 Energy: 0.3543590975267412 Energy: 0.3093121739876737 Energy: 0.3497070775211241 Energy: 0.3093121739876737 Energy: 0.3497070775200945 Energy: 0.3093121739876737 Energy: 0.3497070775200945 Energy: 0.3782187323309426 Energy: 0.3852152085290565 Energy: 0.3782187323309426 Energy: 0.3852152085280268 Energy: 0.3782187323309426 Energy: 0.3852152085280268 Energy: 0.36619303802164754 Energy: 0.3664299736411427 Energy: 0.36619303802164754 Energy: 0.3664299736411427 Energy: 0.36619303802267716 Energy: 0.3664299736411427 Energy: 0.3309647232918445 Energy: 0.35476790390022855 Energy: 0.3309647232908149 Energy: 0.35476790390022855 Energy: 0.3309647232908149 Energy: 0.35476790390022855 Energy: 0.3761918936175722 Energy: 0.3790021268885171 Energy: 0.3761918936175722 Energy: 0.3790021268885171 Energy: 0.3761918936175722 Energy: 0.3790021268885171 Energy: 0.3950156585138777 Energy: 0.33016051464797 Energy: 0.3950156585138777 Energy: 0.33016051464797 Energy: 0.3950156585149073 Energy: 0.33016051464797 Energy: 0.3783134647542921 Energy: 0.34973185939945584 Energy: 0.3783134647542921 Energy: 0.3497318594004854 Energy: 0.3783134647542921 Energy: 0.34973185939945584 Energy: 0.3076320545768444 Energy: 0.33410036949802296 Energy: 0.3076320545768444 Energy: 0.33410036949802296 Energy: 0.3076320545768444 Energy: 0.3341003694990526 Energy: 0.361683078795167 Energy: 0.3634269496203444 Energy: 0.361683078795167 Energy: 0.3634269496203444 Energy: 0.361683078795167 Energy: 0.3634269496203444 Energy: 0.3072450938968138 Energy: 0.38565991495315394 Energy: 0.3072450938968138 Energy: 0.38565991495315394 Energy: 0.3072450938968138 Energy: 0.38565991495315394 Energy: 0.34079490905608556 Energy: 0.34993482250063723 Energy: 0.34079490905608556 Energy: 0.34993482250063723 Energy: 0.34079490905608556 Energy: 0.34993482250063723 Energy: 0.31337455749829957 Energy: 0.36445974646044166 Energy: 0.31337455749829957 Energy: 0.36445974646044166 Energy: 0.31337455749829957 Energy: 0.36445974646044166 Energy: 0.3300853292264986 Energy: 0.34986599509723887 Energy: 0.3300853292264986 Energy: 0.3498659950982685 Energy: 0.3300853292264986 Energy: 0.34986599509723887 minimum gb energy = 0.3072450938968138 eV minimum distance = 2.66351976091335 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 0.45451275089039844 Energy: 0.42960850587045074 Energy: 0.45451275089085075 Energy: 0.42960850587045074 Energy: 0.45451275089085075 Energy: 0.42960850587045074 Energy: 0.365268680408515 Energy: 0.43199951012146576 Energy: 0.36526868040806276 Energy: 0.43199951012146576 Energy: 0.36526868040806276 Energy: 0.43199951012146576 Energy: 0.39177118604647887 Energy: 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Energy: 0.3703901364063769 Energy: 0.3807816449201623 Energy: 0.3703901364063769 Energy: 0.3807816449201623 Energy: 0.44706245583852444 Energy: 0.4321610792391456 Energy: 0.4470624558380721 Energy: 0.4321610792391456 Energy: 0.44706245583852444 Energy: 0.4321610792391456 Energy: 0.39485198384695686 Energy: 0.41476727257128704 Energy: 0.3948519838465045 Energy: 0.41476727257128704 Energy: 0.3948519838474091 Energy: 0.41476727257128704 Energy: 0.3988971875025786 Energy: 0.4214923953663928 Energy: 0.3988971875030309 Energy: 0.4214923953663928 Energy: 0.3988971875025786 Energy: 0.4214923953663928 Energy: 0.40109142864659514 Energy: 0.38682541880404464 Energy: 0.40109142864659514 Energy: 0.38682541880404464 Energy: 0.4010914286461428 Energy: 0.38682541880404464 Energy: 0.36880202572598714 Energy: 0.4321414720709104 Energy: 0.36880202572598714 Energy: 0.4321414720709104 Energy: 0.36880202572598714 Energy: 0.4321414720709104 Energy: 0.3972851800762106 Energy: 0.4100075745475372 Energy: 0.3972851800757583 Energy: 0.4100075745475372 Energy: 0.3972851800762106 Energy: 0.4100075745475372 Energy: 0.39037226780859546 Energy: 0.37979329676962703 Energy: 0.39037226780814316 Energy: 0.37979329676917467 Energy: 0.39037226780814316 Energy: 0.37979329676917467 Energy: 0.3980052740824959 Energy: 0.4426333922863163 Energy: 0.3980052740829483 Energy: 0.4426333922863163 Energy: 0.3980052740829483 Energy: 0.4426333922863163 Energy: 0.38239216998169495 Energy: 0.36407182547633266 Energy: 0.38239216998169495 Energy: 0.36407182547633266 Energy: 0.38239216998169495 Energy: 0.36407182547633266 Energy: 0.3973932052052987 Energy: 0.404251031618209 Energy: 0.39739320520575105 Energy: 0.404251031618209 Energy: 0.39739320520575105 Energy: 0.404251031618209 minimum gb energy = 0.36407182547633266 eV minimum distance = 2.62606273254343 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 0.39684050565900886 Energy: 0.3464094042661694 Energy: 0.396840505658204 Energy: 0.3464094042661694 Energy: 0.39684050565900886 Energy: 0.3464094042661694 Energy: 0.4166094355250299 Energy: 0.41316029205996774 Energy: 0.4166094355250299 Energy: 0.41316029205996774 Energy: 0.4166094355242249 Energy: 0.41316029205996774 Energy: 0.4225032839274094 Energy: 0.4149177211658655 Energy: 0.4225032839266045 Energy: 0.4149177211658655 Energy: 0.4225032839274094 Energy: 0.4149177211658655 Energy: 0.3957293615912837 Energy: 0.4246261839621161 Energy: 0.3957293615912837 Energy: 0.4246261839621161 Energy: 0.3957293615904788 Energy: 0.4246261839621161 Energy: 0.42252468480936817 Energy: 0.41493131533035027 Energy: 0.4225246848085633 Energy: 0.41493131533035027 Energy: 0.42252468480936817 Energy: 0.41493131533035027 Energy: 0.41663979381420163 Energy: 0.41578312424865177 Energy: 0.41663979381420163 Energy: 0.41578312424865177 Energy: 0.41663979381420163 Energy: 0.41578312424865177 Energy: 0.39684050565900886 Energy: 0.3464094042653645 Energy: 0.396840505658204 Energy: 0.3464094042653645 Energy: 0.39684050565900886 Energy: 0.3464094042653645 Energy: 0.41660943552342006 Energy: 0.4131602920607727 Energy: 0.41660943552342006 Energy: 0.4131602920607727 Energy: 0.41660943552342006 Energy: 0.41316029205996774 Energy: 0.4225032839274094 Energy: 0.4149177211658655 Energy: 0.4225032839274094 Energy: 0.4149177211658655 Energy: 0.4225032839274094 Energy: 0.4149177211658655 Energy: 0.3957293615904788 Energy: 0.4274308760306402 Energy: 0.39572936158967387 Energy: 0.4274308760306402 Energy: 0.39572936158967387 Energy: 0.4274308760314451 Energy: 0.42252468480775834 Energy: 0.4149313153295453 Energy: 0.42252468480775834 Energy: 0.4149313153295453 Energy: 0.4225246848085633 Energy: 0.4149313153295453 Energy: 0.4166397938133968 Energy: 0.37229441374088346 Energy: 0.4166397938125918 Energy: 0.37229441374088346 Energy: 0.4166397938133968 Energy: 0.37229441374168837 Energy: 0.39684050565900886 Energy: 0.3464094042661694 Energy: 0.396840505658204 Energy: 0.3464094042661694 Energy: 0.39684050565900886 Energy: 0.3464094042661694 Energy: 0.4166094355242249 Energy: 0.41316029205996774 Energy: 0.4166094355250299 Energy: 0.41316029205996774 Energy: 0.4166094355242249 Energy: 0.41316029205996774 Energy: 0.4225032839274094 Energy: 0.4149177211658655 Energy: 0.4225032839266045 Energy: 0.4149177211658655 Energy: 0.4225032839274094 Energy: 0.4149177211658655 Energy: 0.3957293615904788 Energy: 0.4274308760298353 Energy: 0.3957293615912837 Energy: 0.43840405529872234 Energy: 0.3957293615904788 Energy: 0.4274308760298353 Energy: 0.4225246848085633 Energy: 0.4149313153295453 Energy: 0.42252468480775834 Energy: 0.41493131533035027 Energy: 0.4225246848085633 Energy: 0.41493131533035027 minimum gb energy = 0.3464094042653645 eV minimum distance = 2.65558640054115 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 0.4254965844954327 Energy: 0.3883896703854165 Energy: 0.4254965844954327 Energy: 0.3883896703854165 Energy: 0.42549658449608985 Energy: 0.3883896703854165 Energy: 0.3941603143886342 Energy: 0.4061481563428587 Energy: 0.3941603143886342 Energy: 0.4061481563428587 Energy: 0.3941603143886342 Energy: 0.4061481563428587 Energy: 0.39760813698106373 Energy: 0.40760052495429483 Energy: 0.39760813698106373 Energy: 0.4076005249549521 Energy: 0.39760813698106373 Energy: 0.40760052495429483 Energy: 0.4098613103776883 Energy: 0.4195115832579706 Energy: 0.4098613103776883 Energy: 0.4195115832579706 Energy: 0.40986131037834556 Energy: 0.4195115832586278 Energy: 0.40369317224099677 Energy: 0.39014325416485407 Energy: 0.4036931722416539 Energy: 0.3901432541635396 Energy: 0.4036931722416539 Energy: 0.3901432541628825 Energy: 0.38716162132433296 Energy: 0.41490475646501557 Energy: 0.38716162132367576 Energy: 0.41490475646501557 Energy: 0.38716162132367576 Energy: 0.41490475646567276 Energy: 0.4094655293569151 Energy: 0.3961079897181997 Energy: 0.40946552935625796 Energy: 0.3961079897181997 Energy: 0.4094655293569151 Energy: 0.3961079897181997 Energy: 0.3921085024188237 Energy: 0.41014354750334425 Energy: 0.39210850241948086 Energy: 0.41014354750334425 Energy: 0.39210850241948086 Energy: 0.41014354750334425 Energy: 0.41551572409903187 Energy: 0.40614273609534135 Energy: 0.4155157240983746 Energy: 0.40614273609534135 Energy: 0.4155157240983746 Energy: 0.40614273609534135 Energy: 0.41036334654745893 Energy: 0.3932774808818287 Energy: 0.41036334654680173 Energy: 0.3932774808818287 Energy: 0.41036334654680173 Energy: 0.3932774808818287 Energy: 0.3949839254394105 Energy: 0.3954922173979613 Energy: 0.3949839254387532 Energy: 0.3954922173979613 Energy: 0.3949839254394105 Energy: 0.3954922173979613 Energy: 0.40938424043110894 Energy: 0.4139862128401239 Energy: 0.4093842404317662 Energy: 0.4139862128401239 Energy: 0.40938424043110894 Energy: 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0.4088177913482415 Energy: 0.40439312028176266 Energy: 0.39595626454554 Energy: 0.40439312028110547 Energy: 0.39595626454554 Energy: 0.40439312028110547 Energy: 0.3959562645461972 Energy: 0.40639014740888185 Energy: 0.40425561740489807 Energy: 0.40639014740888185 Energy: 0.40425561740489807 Energy: 0.40639014740953905 Energy: 0.40425561740489807 Energy: 0.4076229370676254 Energy: 0.42239366169828124 Energy: 0.4076229370676254 Energy: 0.42239366169828124 Energy: 0.4076229370682826 Energy: 0.42239366169828124 minimum gb energy = 0.38716162132367576 eV minimum distance = 2.61508870866662 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 0.425173490491336 Energy: 0.387652209271927 Energy: 0.425173490491336 Energy: 0.387652209271927 Energy: 0.425173490491336 Energy: 0.387652209271927 Energy: 0.38629932689037494 Energy: 0.3740346990754116 Energy: 0.38629932689037494 Energy: 0.3740346990754116 Energy: 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Energy: 0.386299326889267 Energy: 0.3740346990759656 Energy: 0.386299326889267 Energy: 0.3740346990759656 Energy: 0.386299326889267 Energy: 0.3740346990759656 Energy: 0.36584284310775006 Energy: 0.40346924375281984 Energy: 0.36584284310775006 Energy: 0.40346924375281984 Energy: 0.36584284310719606 Energy: 0.40346924375281984 Energy: 0.3740872243227114 Energy: 0.37504937574765923 Energy: 0.3740872243227114 Energy: 0.37504937574765923 Energy: 0.3740872243227114 Energy: 0.37504937574765923 Energy: 0.37337590116422215 Energy: 0.3792677157753379 Energy: 0.37337590116422215 Energy: 0.37926771577589186 Energy: 0.37337590116422215 Energy: 0.3792677157753379 Energy: 0.38055466815999583 Energy: 0.39999178506304606 Energy: 0.38055466815999583 Energy: 0.39999178506304606 Energy: 0.3805546681594419 Energy: 0.39999178506304606 minimum gb energy = 0.3506320792448891 eV minimum distance = 2.6519348535376 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 0.39585557353242795 Energy: 0.3817688405935469 Energy: 0.3958555735329061 Energy: 0.3817688405935469 Energy: 0.3958555735329061 Energy: 0.38176884059306865 Energy: 0.3918331578310772 Energy: 0.39309732295231287 Energy: 0.3918331578310772 Energy: 0.39309732295231287 Energy: 0.3918331578315554 Energy: 0.39309732295231287 Energy: 0.3997950301330886 Energy: 0.3794809243839322 Energy: 0.3997950301335667 Energy: 0.3794809243839322 Energy: 0.3997950301330886 Energy: 0.3794809243839322 Energy: 0.3831728360708882 Energy: 0.3906327870784614 Energy: 0.3831728360708882 Energy: 0.39063278707893956 Energy: 0.3831728360708882 Energy: 0.39063278707893956 Energy: 0.3826679839967394 Energy: 0.3895206166149703 Energy: 0.3826679839972176 Energy: 0.3895206166149703 Energy: 0.3826679839967394 Energy: 0.3895206166149703 Energy: 0.39238596089138844 Energy: 0.3849381953546052 Energy: 0.39238596089138844 Energy: 0.3849381953546052 Energy: 0.39238596089138844 Energy: 0.3849381953546052 Energy: 0.3783844278927016 Energy: 0.3980772287036912 Energy: 0.3783844278927016 Energy: 0.398077228703213 Energy: 0.37838442789222343 Energy: 0.3980772287036912 Energy: 0.3956011676467002 Energy: 0.4000882379796402 Energy: 0.3956011676467002 Energy: 0.40008823798011844 Energy: 0.3956011676467002 Energy: 0.40008823798011844 Energy: 0.40913232580761955 Energy: 0.3771586548587288 Energy: 0.40913232580761955 Energy: 0.3771586548587288 Energy: 0.40913232580761955 Energy: 0.3771586548587288 Energy: 0.38633025904080776 Energy: 0.38515439532050444 Energy: 0.38633025904080776 Energy: 0.38515439532050444 Energy: 0.38633025904080776 Energy: 0.38515439532050444 Energy: 0.38030721101403103 Energy: 0.39931684072228546 Energy: 0.38030721101403103 Energy: 0.39931684072228546 Energy: 0.3803072110145092 Energy: 0.39931684072228546 Energy: 0.3990567423179388 Energy: 0.3776208677485427 Energy: 0.3990567423188952 Energy: 0.3776208677485427 Energy: 0.3990567423179388 Energy: 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0.3888754912876194 Energy: 0.386026247467763 Energy: 0.38637845561430234 Energy: 0.386026247467763 Energy: 0.38637845561430234 Energy: 0.386026247467763 Energy: 0.38637845561430234 Energy: 0.38310492960917647 Energy: 0.38928399747549536 Energy: 0.38310492960917647 Energy: 0.38928399747549536 Energy: 0.38310492960869835 Energy: 0.38928399747549536 Energy: 0.3749091010378283 Energy: 0.40072624169304805 Energy: 0.37490910103830655 Energy: 0.40072624169304805 Energy: 0.37490910103830655 Energy: 0.40072624169304805 Energy: 0.40846370647743 Energy: 0.377920756633509 Energy: 0.4084637064783864 Energy: 0.377920756633509 Energy: 0.40846370647695185 Energy: 0.377920756633509 Energy: 0.4088109078210254 Energy: 0.3897200455472066 Energy: 0.4088109078215036 Energy: 0.3897200455472066 Energy: 0.4088109078210254 Energy: 0.3897200455472066 Energy: 0.3952434309650823 Energy: 0.3851277418735936 Energy: 0.3952434309660387 Energy: 0.3851277418735936 Energy: 0.3952434309655605 Energy: 0.3851277418735936 Energy: 0.3858235568209277 Energy: 0.3786271790493957 Energy: 0.3858235568209277 Energy: 0.3786271790493957 Energy: 0.3858235568214059 Energy: 0.3786271790493957 Energy: 0.3976586246792058 Energy: 0.3790180024378953 Energy: 0.3976586246787276 Energy: 0.3790180024378953 Energy: 0.3976586246792058 Energy: 0.3790180024383735 Energy: 0.3829347490466715 Energy: 0.38739223011587703 Energy: 0.3829347490461933 Energy: 0.38739223011635526 Energy: 0.3829347490466715 Energy: 0.38739223011587703 Energy: 0.39475113045911486 Energy: 0.3840175818163671 Energy: 0.3947511304586367 Energy: 0.3840175818168453 Energy: 0.39475113045911486 Energy: 0.3840175818163671 Energy: 0.39876912000785525 Energy: 0.38414272857739246 Energy: 0.39876912000785525 Energy: 0.38414272857739246 Energy: 0.3987691200073771 Energy: 0.38414272857739246 minimum gb energy = 0.3749091010378283 eV minimum distance = 2.62795155447226 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 0.3743632218902756 Energy: 0.39906705969265244 Energy: 0.3743632218902756 Energy: 0.3990670596922321 Energy: 0.3743632218902756 Energy: 0.39906705969265244 Energy: 0.38325783036043026 Energy: 0.3721053267779804 Energy: 0.38325783036127103 Energy: 0.37210532677756003 Energy: 0.38325783036043026 Energy: 0.3721053267779804 Energy: 0.3910384990175675 Energy: 0.362064516723209 Energy: 0.39103849901798776 Energy: 0.362064516723209 Energy: 0.3910384990171471 Energy: 0.362064516723209 Energy: 0.35571145301639207 Energy: 0.3857356816861018 Energy: 0.35571145301639207 Energy: 0.3857356816861018 Energy: 0.3557114530159717 Energy: 0.38573568168652217 Energy: 0.37262050341000247 Energy: 0.3804352759454109 Energy: 0.3726205034091618 Energy: 0.3804352759454109 Energy: 0.37262050341000247 Energy: 0.3804352759454109 Energy: 0.39429617914702164 Energy: 0.36091833091224457 Energy: 0.39429617914660126 Energy: 0.36091833091266484 Energy: 0.39429617914702164 Energy: 0.36091833091224457 Energy: 0.36403532349427403 Energy: 0.37848756035947945 Energy: 0.36403532349427403 Energy: 0.37848756036116077 Energy: 0.36403532349427403 Energy: 0.3784875603607405 Energy: 0.3577838999785354 Energy: 0.3792161721361083 Energy: 0.3577838999785354 Energy: 0.3792161721352676 Energy: 0.3577838999785354 Energy: 0.3792161721344269 Energy: 0.3933763028010374 Energy: 0.36244165163117226 Energy: 0.3933763028006171 Energy: 0.36244165163117226 Energy: 0.3933763028006171 Energy: 0.36244165163117226 Energy: 0.3729253926383478 Energy: 0.3794169367447521 Energy: 0.3729253926383478 Energy: 0.3794169367447521 Energy: 0.3729253926383478 Energy: 0.3794169367451724 Energy: 0.3570264820541069 Energy: 0.4320437658699629 Energy: 0.35702648205452725 Energy: 0.4320437658699629 Energy: 0.35702648205452725 Energy: 0.4320437658699629 Energy: 0.38930246992061124 Energy: 0.37175240351914696 Energy: 0.3893024699231333 Energy: 0.37175240351956734 Energy: 0.3893024699222926 Energy: 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Energy: 0.3933303583147019 Energy: 0.3624152570511239 Energy: 0.3933303583151222 Energy: 0.3624152570511239 Energy: 0.3933303583151222 Energy: 0.3624152570511239 Energy: 0.36443751865575913 Energy: 0.37917298471827393 Energy: 0.3644375186553388 Energy: 0.37917298471827393 Energy: 0.3644375186553388 Energy: 0.37917298471827393 Energy: 0.35677180133484504 Energy: 0.43303608079544414 Energy: 0.35677180133526537 Energy: 0.43303608079544414 Energy: 0.35677180133526537 Energy: 0.43303608079586453 Energy: 0.38161701148629573 Energy: 0.3605706615060811 Energy: 0.38161701148629573 Energy: 0.3605706615060811 Energy: 0.38161701148587546 Energy: 0.3605706615060811 Energy: 0.38721809218297887 Energy: 0.3614593300841552 Energy: 0.38721809218339925 Energy: 0.3614593300841552 Energy: 0.38721809218297887 Energy: 0.3614593300841552 Energy: 0.35556544233183024 Energy: 0.39567960461258905 Energy: 0.35556544233183024 Energy: 0.3956796046117484 Energy: 0.35556544233140985 Energy: 0.3956796046117484 Energy: 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0.3732987909976265 Energy: 0.35689251332803484 Energy: 0.3732987909980468 Energy: 0.35689251332803484 Energy: 0.3732987909980468 Energy: 0.3881484211188425 Energy: 0.3605835293346368 Energy: 0.3881484211180018 Energy: 0.3605835293346368 Energy: 0.38814842111842224 Energy: 0.3605835293346368 Energy: 0.38735640774952107 Energy: 0.3624354191071188 Energy: 0.38735640774994134 Energy: 0.36243541910669846 Energy: 0.38735640774952107 Energy: 0.36243541910669846 minimum gb energy = 0.35556544233140985 eV minimum distance = 2.64915067234584 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.011051208516623537 Energy: 0.3937782668939148 Energy: 0.011051208516623537 Energy: 0.3937782668939148 Energy: 0.011051208516623537 Energy: 0.3937782668935849 Energy: 0.012513357974751888 Energy: 0.1322126819230855 Energy: 0.01251335797510114 Energy: 0.13221268192343477 Energy: 0.012513357974751888 Energy: 0.13221268192343477 Energy: 0.5255930032050905 Energy: 0.1319957790759551 Energy: 0.5255930032050905 Energy: 0.13199577907492677 Energy: 0.5255930032047607 Energy: 0.1319957790766342 Energy: 0.012513357974751888 Energy: 0.13221268192172728 Energy: 0.01251335797442204 Energy: 0.13221268192205712 Energy: 0.012513357974751888 Energy: 0.13221268192205712 minimum gb energy = 0.011051208516623537 eV minimum distance = 2.862837694263 Angstroms sigma value = 1