Model name: model_name=EAM_Dynamo_MendelevKramerBecker_2008_Al__MO_106969701023_005 a1: a1=[-1, 1, 0] a2: a2=[0, 0, 1] a3: a3=[1, 1, 0] Species: species=Al Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.045259781181812 cohesive_energy=3.410925190644327 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: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.010529824793778302 Energy: 0.4485807981772979 Energy: 0.010529824793778302 Energy: 0.4485807981772979 Energy: 0.010529824793555683 Energy: 0.4485807981772979 Energy: 0.448580798176797 Energy: 0.4559940295210712 Energy: 0.44858079817752056 Energy: 0.4559940295210712 Energy: 0.4485807981770475 Energy: 0.45599402952082074 Energy: 0.010529824793778302 Energy: 0.4485807981770475 Energy: 0.010529824793778302 Energy: 0.4485807981772979 Energy: 0.010529824793778302 Energy: 0.4485807981772979 Energy: 0.4485807981772979 Energy: 0.4559940295210712 Energy: 0.4485807981772979 Energy: 0.6133848683064118 Energy: 0.4485807981770475 Energy: 0.704647052692165 Energy: 0.010529824793555683 Energy: 0.4485807981772979 Energy: 0.010529824793778302 Energy: 0.4485807981770475 Energy: 0.010529824793555683 Energy: 0.4485807981770475 Energy: 0.4485807981772979 Energy: 0.45599402952082074 Energy: 0.4485807981772979 Energy: 0.7046470526938902 Energy: 0.4485807981770475 Energy: 0.4844942204710467 minimum gb energy = 0.010529824793555683 eV minimum distance = 2.55557637880893 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 0.5200568686395433 Energy: 0.5184499132054735 Energy: 0.5200568686407491 Energy: 0.5184499132042677 Energy: 0.5200568686401462 Energy: 0.5184499132060764 Energy: 0.591616793106139 Energy: 0.5084543599961167 Energy: 0.591616793106139 Energy: 0.5084543599973225 Energy: 0.591616793105536 Energy: 0.5084543599961167 Energy: 0.5102933182721778 Energy: 0.5410293952594155 Energy: 0.5102933182727806 Energy: 0.5410293952600184 Energy: 0.5102933182733834 Energy: 0.5410293952606213 Energy: 0.5760234717585101 Energy: 0.5103843682638277 Energy: 0.5760234717560987 Energy: 0.510384368263225 Energy: 0.5760234717585101 Energy: 0.510384368263225 Energy: 0.5109129027941024 Energy: 0.5512989552242372 Energy: 0.5109129027928968 Energy: 0.5512989552236344 Energy: 0.5109129027934995 Energy: 0.5512989552242372 Energy: 0.5456517104800029 Energy: 0.492337881329611 Energy: 0.5456517104806058 Energy: 0.4923378813308167 Energy: 0.5456517104806058 Energy: 0.4923378813302138 Energy: 0.5047085589625171 Energy: 0.5104402589615662 Energy: 0.5047085589637227 Energy: 0.5104402589615662 Energy: 0.5047085589613113 Energy: 0.5104402589615662 Energy: 0.507511270504862 Energy: 0.5427970094219575 Energy: 0.5075112705060677 Energy: 0.5427970094213547 Energy: 0.5075112705054647 Energy: 0.5427970094225605 Energy: 0.5617420009995118 Energy: 0.5147682359178042 Energy: 0.5617420009995118 Energy: 0.5147682359172014 Energy: 0.5617420010001145 Energy: 0.5147682359172014 Energy: 0.4977069129686678 Energy: 0.5364444574053803 Energy: 0.4977069129698735 Energy: 0.5364444574059831 Energy: 0.4977069129698735 Energy: 0.5364444574059831 Energy: 0.6230742755658167 Energy: 0.49210211923379604 Energy: 0.6230742755646109 Energy: 0.49210211923379604 Energy: 0.6230742755640082 Energy: 0.49210211923379604 Energy: 0.5010631678220279 Energy: 0.6281225333894737 Energy: 0.5010631678220279 Energy: 0.6281225333894737 Energy: 0.5010631678226306 Energy: 0.6281225333894737 Energy: 0.5940121200863512 Energy: 0.5041906775216286 Energy: 0.5940121200863512 Energy: 0.5041906775216286 Energy: 0.5940121200857484 Energy: 0.5041906775216286 Energy: 0.4975001471047472 Energy: 0.5267064298915691 Energy: 0.4975001471053501 Energy: 0.5267064298903633 Energy: 0.4975001471053501 Energy: 0.5267064298909662 Energy: 0.5686126656718469 Energy: 0.500725362608184 Energy: 0.5686126656700383 Energy: 0.5007253626075812 Energy: 0.568612665671244 Energy: 0.500725362608184 Energy: 0.5676799170371192 Energy: 0.5316495108718068 Energy: 0.5676799170359135 Energy: 0.5316495108718068 Energy: 0.5676799170371192 Energy: 0.5316495108724095 Energy: 0.5063286311811079 Energy: 0.5323845060612795 Energy: 0.5063286311799022 Energy: 0.5323845060618824 Energy: 0.5063286311799022 Energy: 0.5323845060612795 Energy: 0.5063458679520442 Energy: 0.5113228367871006 Energy: 0.5063458679520442 Energy: 0.5113228367877035 Energy: 0.5063458679532499 Energy: 0.5113228367877035 Energy: 0.49699690491070997 Energy: 0.510392653501935 Energy: 0.49699690491010706 Energy: 0.5103926535043464 Energy: 0.49699690491010706 Energy: 0.5103926535007293 Energy: 0.5438178751864468 Energy: 0.4923688206113349 Energy: 0.5438178751852412 Energy: 0.4923688206113349 Energy: 0.5438178751852412 Energy: 0.49236882061012927 Energy: 0.5123337903798535 Energy: 0.552623766857357 Energy: 0.5123337903792508 Energy: 0.5526237668543428 Energy: 0.5123337903804565 Energy: 0.5526237668549456 Energy: 0.5395808361967925 Energy: 0.5116198205030803 Energy: 0.5395808361967925 Energy: 0.5116198205024776 Energy: 0.5395808361973954 Energy: 0.5116198205024776 Energy: 0.5075377376082121 Energy: 0.6447748542254709 Energy: 0.507537737608815 Energy: 0.6447748542260737 Energy: 0.5075377376082121 Energy: 0.6447748542260737 minimum gb energy = 0.49210211923379604 eV minimum distance = 2.61353755287941 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 0.5588376150521894 Energy: 0.5433757790436878 Energy: 0.5393109910882241 Energy: 0.5433757790436878 Energy: 0.5588376150521894 Energy: 0.5433757790457452 Energy: 0.5711187249565144 Energy: 0.5047518645099037 Energy: 0.5711187249527424 Energy: 0.5047518645095609 Energy: 0.5711187249561713 Energy: 0.504751864512647 Energy: 0.5102120696264785 Energy: 0.504419157206926 Energy: 0.5102120696257927 Energy: 0.5044191572072688 Energy: 0.5102120696261356 Energy: 0.5044191572038398 Energy: 0.5573284576056335 Energy: 0.54800393300378 Energy: 0.557328457607005 Energy: 0.54800393300378 Energy: 0.5573284576056335 Energy: 0.5480039330048087 Energy: 0.5236281758318854 Energy: 0.5281157634901463 Energy: 0.5236281758311996 Energy: 0.5281157634894607 Energy: 0.5236281758318854 Energy: 0.528115763498376 Energy: 0.512259775625897 Energy: 0.5088657606435127 Energy: 0.5122597756245255 Energy: 0.5088657606438557 Energy: 0.512259775625554 Energy: 0.5088657606452273 Energy: 0.5459410505592298 Energy: 0.5105463099327785 Energy: 0.5459410505558008 Energy: 0.5105463099331213 Energy: 0.5459410505599155 Energy: 0.5105463099266063 Energy: 0.500828663597376 Energy: 0.5594569770707434 Energy: 0.5008286635925754 Energy: 0.5594569770710863 Energy: 0.500828663597376 Energy: 0.5594569770809993 Energy: 0.5168724101413927 Energy: 0.5105975732683379 Energy: 0.5168724101359063 Energy: 0.5105975732683379 Energy: 0.5168724101413927 Energy: 0.5105975732679949 Energy: 0.5123188129214209 Energy: 0.5885476941206845 Energy: 0.5123171338231007 Energy: 0.5885476941210274 Energy: 0.5123188129221067 Energy: 0.5885476941169125 Energy: 0.6308521908961882 Energy: 0.5099217481142405 Energy: 0.6308521908944738 Energy: 0.5099217481142405 Energy: 0.6308521908961882 Energy: 0.5099217481152691 Energy: 0.5094927662886675 Energy: 0.5476108049135378 Energy: 0.509492750340652 Energy: 0.5476108049131948 Energy: 0.5094927662890104 Energy: 0.5476108049169667 Energy: 0.5503401045981784 Energy: 0.5117966185943508 Energy: 0.5503436367279185 Energy: 0.5117966185950366 Energy: 0.5503401045981784 Energy: 0.511796618593322 Energy: 0.5501360772708016 Energy: 0.5535714224952965 Energy: 0.5501384420255263 Energy: 0.5535714224942677 Energy: 0.5501360772708016 Energy: 0.5535714224915246 Energy: 0.5314306064937498 Energy: 0.5055770117451502 Energy: 0.5314306064872347 Energy: 0.5055770117451502 Energy: 0.5314306064934068 Energy: 0.5055770117472076 Energy: 0.5093909460236148 Energy: 0.5053397527427987 Energy: 0.5093909460195001 Energy: 0.5053397527424559 Energy: 0.5093909460229291 Energy: 0.5053397527431418 Energy: 0.5599416955546356 Energy: 0.551253499932283 Energy: 0.5599416955512065 Energy: 0.5512534999326258 Energy: 0.5599416955542927 Energy: 0.5512534999384552 Energy: 0.5272801314858274 Energy: 0.5085132020340523 Energy: 0.5272801314865133 Energy: 0.5085132020337094 Energy: 0.5272801314861704 Energy: 0.5085132020357667 Energy: 0.5125282560144442 Energy: 0.5147124480230186 Energy: 0.5125282560199305 Energy: 0.5147124480233616 Energy: 0.5125282560144442 Energy: 0.514712448021647 Energy: 0.5471852164288565 Energy: 0.5119206881557248 Energy: 0.5471852164319425 Energy: 0.5119206881557248 Energy: 0.5471852164288565 Energy: 0.5119206881509242 Energy: 0.5006384331196586 Energy: 0.5602391043181392 Energy: 0.5006384331227447 Energy: 0.5602391043181392 Energy: 0.5006384331193157 Energy: 0.5602391043140242 Energy: 0.5052642248210192 Energy: 0.5108626740135003 Energy: 0.5052642248193048 Energy: 0.5108626740135003 Energy: 0.5052642248206763 Energy: 0.5108626740114428 Energy: 0.5082942721050703 Energy: 0.5980172805823228 Energy: 0.5083019800094027 Energy: 0.5980172805819799 Energy: 0.5082942721050703 Energy: 0.5980172805761506 Energy: 0.6094170117958031 Energy: 0.5233919746109034 Energy: 0.6094170117992321 Energy: 0.5233919746109034 Energy: 0.60941701179546 Energy: 0.5233919746115892 Energy: 0.5102273386500457 Energy: 0.5123396482957394 Energy: 0.510034620370844 Energy: 0.5123396482964252 Energy: 0.5102273386500457 Energy: 0.5123396482971111 Energy: 0.5592436756311783 Energy: 0.533839847466272 Energy: 0.539754434878401 Energy: 0.5338398474655862 Energy: 0.5592436756308353 Energy: 0.5338398474724442 Energy: 0.5589878473776947 Energy: 0.5233771773501859 Energy: 0.5396773191252413 Energy: 0.5233771773501859 Energy: 0.5589878473776947 Energy: 0.5233771773488144 Energy: 0.5091862296579764 Energy: 0.5041996984422947 Energy: 0.5091862296562619 Energy: 0.5041996984422947 Energy: 0.5091862296579764 Energy: 0.5041996984453806 Energy: 0.5843229615496731 Energy: 0.5045376994704434 Energy: 0.5843229615476159 Energy: 0.5045376994704434 Energy: 0.5843229615493303 Energy: 0.5045376994738724 Energy: 0.5083269737988946 Energy: 0.6339165177419513 Energy: 0.5083269738012948 Energy: 0.6339165177416085 Energy: 0.5083269737999232 Energy: 0.6339165177412657 Energy: 0.5232747625229726 Energy: 0.5105434043252275 Energy: 0.5232747625219438 Energy: 0.5105434043259133 Energy: 0.52327476252503 Energy: 0.5105434043238558 Energy: 0.5121584666474203 Energy: 0.5113245620740369 Energy: 0.5121584666528756 Energy: 0.5113245620743799 Energy: 0.5121584666467346 Energy: 0.5113245620791805 Energy: 0.5471872069657785 Energy: 0.5118865013904382 Energy: 0.547187206960978 Energy: 0.5118865013907811 Energy: 0.5471872069654357 Energy: 0.5118865013928384 Energy: 0.5060829332627519 Energy: 0.5313780540558908 Energy: 0.5060829332620662 Energy: 0.5313780540562337 Energy: 0.5060829332630948 Energy: 0.5313780540589769 Energy: 0.5041928951773532 Energy: 0.508948443622814 Energy: 0.5041928951742671 Energy: 0.5089484436231568 Energy: 0.504192895177696 Energy: 0.508948443629329 Energy: 0.5497396762394959 Energy: 0.5574960792260718 Energy: 0.5497396762374386 Energy: 0.5574960792260718 Energy: 0.5497396762394959 Energy: 0.5574960792219882 Energy: 0.5085663020664442 Energy: 0.5228852069704087 Energy: 0.5085768164185067 Energy: 0.5228852069707516 Energy: 0.5085663020661013 Energy: 0.5228852069686943 Energy: 0.5161640865975244 Energy: 0.5128071724596722 Energy: 0.516164952357403 Energy: 0.5128071724596722 Energy: 0.5161640865978673 Energy: 0.5128071724596722 Energy: 0.5498717774587424 Energy: 0.5539250099401493 Energy: 0.549871408916137 Energy: 0.5539250099394635 Energy: 0.5498717774590852 Energy: 0.5539250099422067 Energy: 0.5592500456426075 Energy: 0.5070170621531073 Energy: 0.559250045644322 Energy: 0.5070170621534501 Energy: 0.5592500456422645 Energy: 0.5070170621524214 Energy: 0.5094106303716264 Energy: 0.5145150411748283 Energy: 0.5094106303668258 Energy: 0.5145150411744853 Energy: 0.5094106303716264 Energy: 0.5145150411755139 minimum gb energy = 0.5006384331193157 eV minimum distance = 2.68828118169667 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 0.5130142045544088 Energy: 0.5213870257034181 Energy: 0.5130142045536144 Energy: 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Energy: 0.5196145868512738 Energy: 0.4944110091778088 Energy: 0.5036766157190165 Energy: 0.4944110091778088 Energy: 0.503676615718222 Energy: 0.4944110091778088 Energy: 0.5036766157190165 Energy: 0.5177495275197933 Energy: 0.52236388842052 Energy: 0.5177495275189988 Energy: 0.52236388842052 Energy: 0.5177495275189988 Energy: 0.52236388842052 Energy: 0.5345570354111068 Energy: 0.4970967556444942 Energy: 0.5345570354111068 Energy: 0.49709675564369965 Energy: 0.5345570354119012 Energy: 0.4970967556444942 Energy: 0.5337253161718198 Energy: 0.5364900362719544 Energy: 0.5337253161718198 Energy: 0.5364900362719544 Energy: 0.5337253161718198 Energy: 0.5364900362719544 Energy: 0.5292348574179199 Energy: 0.4991288438745804 Energy: 0.5292348574171253 Energy: 0.4991288438738039 Energy: 0.5292348574171253 Energy: 0.4991288438738039 minimum gb energy = 0.48809138524393575 eV minimum distance = 2.53678042153174 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 0.43419467286912505 Energy: 0.45482982714999737 Energy: 0.43419467286912505 Energy: 0.45482982714999737 Energy: 0.43419467286912505 Energy: 0.45482982714999737 Energy: 0.5013833717037424 Energy: 0.5180681283569316 Energy: 0.5013833717056274 Energy: 0.5180681283564604 Energy: 0.5013833717070412 Energy: 0.5180681283564604 Energy: 0.4288172677239996 Energy: 0.5166146267539777 Energy: 0.4288172677235283 Energy: 0.5166146267558628 Energy: 0.4288172677235283 Energy: 0.516614626754449 Energy: 0.4563415183367673 Energy: 0.42888143627634867 Energy: 0.4563415183362961 Energy: 0.42888143627634867 Energy: 0.4563415183358248 Energy: 0.4288814362768199 Energy: 0.429985017609131 Energy: 0.43415645785650875 Energy: 0.42998501760865976 Energy: 0.43415645785603746 Energy: 0.42998501761007357 Energy: 0.43415645785603746 Energy: 0.43012417445216866 Energy: 0.43438357977262215 Energy: 0.43012417445263995 Energy: 0.43438357977309333 Energy: 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Energy: 0.5166146267553916 Energy: 0.4563415183367673 Energy: 0.4288814362768199 Energy: 0.4563415183367673 Energy: 0.42888143627634867 Energy: 0.4563415183367673 Energy: 0.4288814362768199 Energy: 0.429985017609131 Energy: 0.43415645785603746 Energy: 0.429985017609131 Energy: 0.43415645785603746 Energy: 0.42998501761007357 Energy: 0.43415645785650875 Energy: 0.43012417445263995 Energy: 0.43438357977262215 Energy: 0.4301241744516973 Energy: 0.43438357977262215 Energy: 0.4301241744516973 Energy: 0.43438357977262215 Energy: 0.4564420987819093 Energy: 0.4288661080937752 Energy: 0.4564420987809667 Energy: 0.4288661080937752 Energy: 0.4564420987809667 Energy: 0.4288661080937752 Energy: 0.4288182025763477 Energy: 0.5165995909185526 Energy: 0.4288182025763477 Energy: 0.5165995909180813 Energy: 0.4288182025763477 Energy: 0.5165995909180813 Energy: 0.5012272165664291 Energy: 0.5180473166002668 Energy: 0.5012272165664291 Energy: 0.5180473166002668 Energy: 0.5012272165697279 Energy: 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0.43438357977262215 Energy: 0.4564420987809667 Energy: 0.4288661080937752 Energy: 0.45644209878143804 Energy: 0.4288661080942464 Energy: 0.45644209878143804 Energy: 0.4288661080937752 Energy: 0.4288182025763477 Energy: 0.5165995909194951 Energy: 0.4288182025763477 Energy: 0.5165995909185526 Energy: 0.4288182025763477 Energy: 0.5165995909185526 Energy: 0.5012272165701993 Energy: 0.5180473166012094 Energy: 0.5012272165739694 Energy: 0.5180473165993243 Energy: 0.5012272165678429 Energy: 0.5180473166002668 Energy: 0.43419467286865376 Energy: 0.45482982714952613 Energy: 0.43419467286865376 Energy: 0.45482982714999737 Energy: 0.43419467286912505 Energy: 0.45482982714999737 Energy: 0.5013833717065699 Energy: 0.518068128355989 Energy: 0.5013833717065699 Energy: 0.5180681283564604 Energy: 0.5013833717065699 Energy: 0.5180681283569316 Energy: 0.4288172677235283 Energy: 0.5166146267563342 Energy: 0.4288172677235283 Energy: 0.5166146267553916 Energy: 0.4288172677239996 Energy: 0.5166146267563342 minimum gb energy = 0.4288172677235283 eV minimum distance = 2.55001999406439 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 0.4532184343920009 Energy: 0.43685706166637533 Energy: 0.45321843439315523 Energy: 0.43685706166637533 Energy: 0.45321843439315523 Energy: 0.43685706166637533 Energy: 0.5355077130033312 Energy: 0.4623692486178671 Energy: 0.5355077130044855 Energy: 0.4623692486178671 Energy: 0.5355077130033312 Energy: 0.4623692486178671 Energy: 0.46161135243600315 Energy: 0.5034453100928089 Energy: 0.46161135243484874 Energy: 0.5034453100928089 Energy: 0.46161135243484874 Energy: 0.5034453100916545 Energy: 0.5031355527423024 Energy: 0.4244543513196038 Energy: 0.5031355527434568 Energy: 0.4244543513207581 Energy: 0.5031355527423024 Energy: 0.4244543513207581 Energy: 0.5237831294469675 Energy: 0.42428965242711925 Energy: 0.5237831294458131 Energy: 0.42428965242711925 Energy: 0.52378312944235 Energy: 0.42428965242711925 Energy: 0.5071317291196501 Energy: 0.521825908769697 Energy: 0.5071317291196501 Energy: 0.5218259087685425 Energy: 0.5071317291196501 Energy: 0.5218259087685425 Energy: 0.4699422355787102 Energy: 0.46103133746147407 Energy: 0.4699422355787102 Energy: 0.46103133746031966 Energy: 0.4699422355787102 Energy: 0.46103133746147407 Energy: 0.4498338020255459 Energy: 0.4391659110087033 Energy: 0.4498338020255459 Energy: 0.4391659110087033 Energy: 0.44983380202670037 Energy: 0.4391659110087033 Energy: 0.4717456311210142 Energy: 0.46172857435876025 Energy: 0.47174563111177925 Energy: 0.46172857435645154 Energy: 0.4717456311198599 Energy: 0.46172857435645154 Energy: 0.5006267723568274 Energy: 0.5053691550712792 Energy: 0.5006267723568274 Energy: 0.5053691550712792 Energy: 0.5006267723568274 Energy: 0.5053691550712792 Energy: 0.48531258462301236 Energy: 0.4242095705644055 Energy: 0.4853125846241667 Energy: 0.4242095705644055 Energy: 0.4853125846241667 Energy: 0.4242095705644055 Energy: 0.5223795032372124 Energy: 0.47212997895690045 Energy: 0.5223795032372124 Energy: 0.47212997895690045 Energy: 0.5223795032383668 Energy: 0.47212997895690045 minimum gb energy = 0.4242095705644055 eV minimum distance = 2.50280124788844 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 0.4365480655858411 Energy: 0.4432873784842854 Energy: 0.4365480655851924 Energy: 0.4432873784846097 Energy: 0.43654806558454373 Energy: 0.44328737848493405 Energy: 0.4647461863845603 Energy: 0.4497669617266199 Energy: 0.4647461863871552 Energy: 0.4497669617266199 Energy: 0.4647461863848847 Energy: 0.4497669617269443 Energy: 0.404497805736625 Energy: 0.5128946103288899 Energy: 0.40449780573824684 Energy: 0.5128946103288899 Energy: 0.404497805736625 Energy: 0.5128946103292142 Energy: 0.41159996939583493 Energy: 0.39900413752686403 Energy: 0.41159996939810545 Energy: 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Energy: 0.43615987612608104 Energy: 0.4092827829144374 Energy: 0.4499754512916147 Energy: 0.4295445504875633 Energy: 0.44997545129031735 Energy: 0.42954455048821194 Energy: 0.4499754512912904 Energy: 0.4295445504859416 Energy: 0.41159642046995404 Energy: 0.39907746025570756 Energy: 0.4115964204683323 Energy: 0.39907746025570756 Energy: 0.4115964204670349 Energy: 0.39907746025603186 Energy: 0.4044121903857021 Energy: 0.5127744756999737 Energy: 0.4044121903873239 Energy: 0.5127744757145695 Energy: 0.40441219038505344 Energy: 0.5127744757006224 Energy: 0.4646776543330738 Energy: 0.4593360922375602 Energy: 0.4646776543356685 Energy: 0.4593360922369115 Energy: 0.4646776543405338 Energy: 0.4593360922372358 Energy: 0.4365480655877872 Energy: 0.4432873784858776 Energy: 0.43654806558713843 Energy: 0.4432873784858776 Energy: 0.4365480655877872 Energy: 0.44328737848652633 Energy: 0.4647461863829386 Energy: 0.4497669617233764 Energy: 0.46474618638228987 Energy: 0.4497669617230521 Energy: 0.46474618638261417 Energy: 0.4497669617230521 Energy: 0.40449780573630073 Energy: 0.5128946103318089 Energy: 0.4044978057375981 Energy: 0.5128946103311603 Energy: 0.404497805736625 Energy: 0.5128946103318089 Energy: 0.41159996939551063 Energy: 0.3990041375262153 Energy: 0.41159996939745674 Energy: 0.399004137525891 Energy: 0.4115999693935645 Energy: 0.3990041375262153 Energy: 0.4500098857190268 Energy: 0.4295544644614112 Energy: 0.45000988571967543 Energy: 0.42955446446108686 Energy: 0.4500098857180538 Energy: 0.4295544644614112 minimum gb energy = 0.3860893528244666 eV minimum distance = 2.61867375803271 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 0.32255524971989286 Energy: 0.3029974853959385 Energy: 0.20820276781512745 Energy: 0.3029974853959385 Energy: 0.32255524971767785 Energy: 0.30299748539738164 Energy: 0.3577498574467833 Energy: 0.29858934805854903 Energy: 0.3577498574445683 Energy: 0.29857984628324374 Energy: 0.35774985744238674 Energy: 0.298589348054119 Energy: 0.32231730867258807 Energy: 0.35576912762686147 Energy: 0.322317308674803 Energy: 0.4426547968367322 Energy: 0.3223173086762797 Energy: 0.3557691276246465 Energy: 0.30436622214973075 Energy: 0.2639048244769425 Energy: 0.30436622214973075 Energy: 0.208282283769192 Energy: 0.3043662221489924 Energy: 0.26390482447029745 Energy: 0.25969301092477454 Energy: 0.3579950592380515 Energy: 0.25969301092403624 Energy: 0.3579950592395282 Energy: 0.25969301092698954 Energy: 0.35799505924100483 Energy: 0.20835161651696452 Energy: 0.32421871639422295 Energy: 0.2083516165147495 Energy: 0.32421871639348465 Energy: 0.20835161651327283 Energy: 0.3242187163927463 Energy: 0.20834399740620455 Energy: 0.22946908607742467 Energy: 0.2083439974076812 Energy: 0.2294690860796397 Energy: 0.20834399740546622 Energy: 0.22946908608037803 Energy: 0.35758727390621825 Energy: 0.2598690604972552 Energy: 0.3575872739084332 Energy: 0.2598690604972552 Energy: 0.35758727390917155 Energy: 0.2598690604994703 Energy: 0.3045195623018454 Energy: 0.20827187582709103 Energy: 0.30451956229741534 Energy: 0.2639114301171929 Energy: 0.3045195622996304 Energy: 0.2082718758263527 Energy: 0.22820792634308132 Energy: 0.36615767308749264 Energy: 0.22820792634455797 Energy: 0.36615767308970765 Energy: 0.22820792634308132 Energy: 0.36615767309044595 Energy: 0.259736815172725 Energy: 0.2982957889939438 Energy: 0.2597368151734633 Energy: 0.29829578899099046 Energy: 0.259736815172725 Energy: 0.2982957889917288 Energy: 0.32255524971767785 Energy: 0.30299748539738164 Energy: 0.20820276781512745 Energy: 0.30299748539667687 Energy: 0.3225552497169395 Energy: 0.30299748539812 Energy: 0.3577498574467833 Energy: 0.2985893480570724 Energy: 0.3577498574460449 Energy: 0.29857984628324374 Energy: 0.3577498574431252 Energy: 0.2985893480548574 Energy: 0.32231730867258807 Energy: 0.35576912762538476 Energy: 0.32231730867554137 Energy: 0.4426547968367322 Energy: 0.3223173086777564 Energy: 0.3557691276239081 Energy: 0.30436622214973075 Energy: 0.26390482447915753 Energy: 0.30436622214973075 Energy: 0.20828228376845367 Energy: 0.3043662221489924 Energy: 0.2639048244710358 Energy: 0.2596930109225595 Energy: 0.35799505923583647 Energy: 0.25969301092477454 Energy: 0.3579950592373132 Energy: 0.2596930109262512 Energy: 0.3579950592373132 Energy: 0.20835161651401116 Energy: 0.32421871639348465 Energy: 0.20835161651401116 Energy: 0.3242187163927463 Energy: 0.2083516165110578 Energy: 0.3242187163927463 Energy: 0.2083439974047279 Energy: 0.22946908607668634 Energy: 0.2083439974047279 Energy: 0.2294690860796397 Energy: 0.20834399740177456 Energy: 0.22946908608111635 Energy: 0.35758727390400313 Energy: 0.25986906049873193 Energy: 0.3575872739084332 Energy: 0.2598690605016853 Energy: 0.3575872739084332 Energy: 0.2598690605046386 minimum gb energy = 0.20820276781512745 eV minimum distance = 2.76541614718382 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 0.40981575907971707 Energy: 0.43966911002861153 Energy: 0.40981575907971707 Energy: 0.43966911002861153 Energy: 0.40981575908025786 Energy: 0.4396691100291523 Energy: 0.4792813014324377 Energy: 0.43083478574047973 Energy: 0.4792813014324377 Energy: 0.4308347857399389 Energy: 0.4792813014318968 Energy: 0.4308347857399389 Energy: 0.4570254547229366 Energy: 0.5715802794667131 Energy: 0.4570254547213141 Energy: 0.5715802794672539 Energy: 0.4570254547245592 Energy: 0.5715802794672539 Energy: 0.4858688683512565 Energy: 0.39471406042210866 Energy: 0.4858688683517974 Energy: 0.39471406042210866 Energy: 0.48586886835071563 Energy: 0.3947140604226495 Energy: 0.43195014405770676 Energy: 0.3794429682201689 Energy: 0.4319501440593293 Energy: 0.3794429682207097 Energy: 0.43195014405878845 Energy: 0.3794429682201689 Energy: 0.4265151259800469 Energy: 0.46213967451527205 Energy: 0.4265151259816694 Energy: 0.46213967451527205 Energy: 0.4265151259800469 Energy: 0.46213967451527205 Energy: 0.3907403870323503 Energy: 0.4514325790827545 Energy: 0.39074038703289116 Energy: 0.4514325790827545 Energy: 0.39074038703343206 Energy: 0.4514325790827545 Energy: 0.4391378052209915 Energy: 0.3720667753259423 Energy: 0.4391378052204506 Energy: 0.37206677532540156 Energy: 0.4391378052204506 Energy: 0.37206677532540156 Energy: 0.4382102376191271 Energy: 0.36953902179672127 Energy: 0.43821023761966793 Energy: 0.36953902179726206 Energy: 0.4382102376185863 Energy: 0.36953902179726206 Energy: 0.3692575018187438 Energy: 0.5097702251439946 Energy: 0.3692575018198255 Energy: 0.5097702251429129 Energy: 0.36925750181928463 Energy: 0.5097702251429129 Energy: 0.44133017770401867 Energy: 0.5168273165637327 Energy: 0.4413301777051004 Energy: 0.5168273165637327 Energy: 0.4413301777051004 Energy: 0.5168273165631919 Energy: 0.42791353025833945 Energy: 0.3818900894456029 Energy: 0.42791353025833945 Energy: 0.38189008944614367 Energy: 0.4279135302577986 Energy: 0.3818900894456029 Energy: 0.44628218567819056 Energy: 0.3959582423704512 Energy: 0.4462821856776497 Energy: 0.39595824237099203 Energy: 0.44628218567819056 Energy: 0.3959582423704512 Energy: 0.49073734528537993 Energy: 0.5602311411774654 Energy: 0.49073734528592083 Energy: 0.5602311411769245 Energy: 0.49073734528537993 Energy: 0.5602311411774654 Energy: 0.4656705623864687 Energy: 0.4329770663621501 Energy: 0.46567056238592786 Energy: 0.4329770663621501 Energy: 0.4656705623848461 Energy: 0.4329770663621501 Energy: 0.4104795304042063 Energy: 0.43996965016317935 Energy: 0.4104795304042063 Energy: 0.43996965016317935 Energy: 0.410479530405288 Energy: 0.4399696501637202 Energy: 0.3994413888938446 Energy: 0.4301906393012601 Energy: 0.39944138889168124 Energy: 0.4301906393012601 Energy: 0.39944138889438546 Energy: 0.430190639301801 Energy: 0.5295308829589542 Energy: 0.5171618085019873 Energy: 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0.43657165979294627 Energy: 0.4018224260006528 Energy: 0.4365716597940279 Energy: 0.4018224260006528 Energy: 0.3695287062384348 Energy: 0.5094481674033025 Energy: 0.36952870623735323 Energy: 0.5094481674027617 Energy: 0.36952870623735323 Energy: 0.5094481674038434 Energy: 0.5765016406193112 Energy: 0.4461934726137876 Energy: 0.5765016406193112 Energy: 0.44619347261162423 Energy: 0.5765016406182295 Energy: 0.4461934726137876 minimum gb energy = 0.3692575018187438 eV minimum distance = 2.60802332870309 Angstroms sigma value = 41 ======================================== theta = 58.99241699313286 ======================================== Energy: 0.4504247682774113 Energy: 0.402133666722536 Energy: 0.450424768276985 Energy: 0.402133666722536 Energy: 0.4504247682774113 Energy: 0.40213366672210965 Energy: 0.4990147921674751 Energy: 0.49655020860998383 Energy: 0.4990147921661962 Energy: 0.4965502086095575 Energy: 0.49901479216790134 Energy: 0.49655020860998383 Energy: 0.5708875800157763 Energy: 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Energy: 0.39872915470136194 Energy: 0.4022017151336507 Energy: 0.3987291547017882 Energy: 0.407920155267858 Energy: 0.5095839326446057 Energy: 0.40792015526743175 Energy: 0.5243913847131043 Energy: 0.407920155267858 Energy: 0.49738010378265113 Energy: 0.4479154612578902 Energy: 0.5006355276591228 Energy: 0.4479154612578902 Energy: 0.5006355276586966 Energy: 0.4479154612578902 Energy: 0.5006355276582702 Energy: 0.5503804202712224 Energy: 0.5095484923163255 Energy: 0.5503804202712224 Energy: 0.5095484923163255 Energy: 0.5503804202712224 Energy: 0.5095484923163255 Energy: 0.39056211756331033 Energy: 0.4541221917409182 Energy: 0.39056211756288406 Energy: 0.454122191742197 Energy: 0.3905621175620315 Energy: 0.4541221917417707 Energy: 0.41102546372709636 Energy: 0.3991591063173291 Energy: 0.41102546372752263 Energy: 0.39915910631775536 Energy: 0.4110254637258175 Energy: 0.3991591063173291 Energy: 0.39463361957398296 Energy: 0.454541551872125 Energy: 0.39463361957355675 Energy: 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Energy: 0.4646129268791997 Energy: 0.4851247559964265 Energy: 0.5237215007743657 Energy: 0.4395188143223878 Energy: 0.5237215007713742 Energy: 0.43951881432178946 Energy: 0.5237215007749642 Energy: 0.43951881432208867 Energy: 0.4244807389308946 Energy: 0.6101351791632721 Energy: 0.4244807389308946 Energy: 0.6101351791635712 Energy: 0.424480738931493 Energy: 0.6101351791635712 Energy: 0.4624430837335601 Energy: 0.42606771983514163 Energy: 0.4624430837356543 Energy: 0.4260677198336458 Energy: 0.46244308373445764 Energy: 0.4260677198348425 Energy: 0.43217308607562466 Energy: 0.5634401721195925 Energy: 0.4321730860747272 Energy: 0.5634401721201909 Energy: 0.4321730860747272 Energy: 0.5634401721195925 Energy: 0.43775191858980045 Energy: 0.5240413498211838 Energy: 0.43775191858890294 Energy: 0.5240413498265688 Energy: 0.43775191859009965 Energy: 0.5240413498274663 Energy: 0.44020383889829184 Energy: 0.4251835469606461 Energy: 0.44020383889859094 Energy: 0.42518354696004773 Energy: 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0.5148190084565024 Energy: 0.6147347232746473 Energy: 0.5148190084562055 Energy: 0.5202013508179932 Energy: 0.575548685054695 Energy: 0.5202013508196256 Energy: 0.575548685055536 Energy: 0.5202013508198731 Energy: 0.5755486850560801 Energy: 0.5192969072049289 Energy: 0.5208409406060253 Energy: 0.5192969072032964 Energy: 0.5208409406060253 Energy: 0.5192969072049289 Energy: 0.520840940606322 Energy: 0.529733874198265 Energy: 0.5356001508984222 Energy: 0.5297338742009859 Energy: 0.5356001508989664 Energy: 0.529733874200145 Energy: 0.5356001508989664 Energy: 0.5677130221390287 Energy: 0.5346552225437028 Energy: 0.5677130221379403 Energy: 0.5346552225404377 Energy: 0.5677130221387813 Energy: 0.5346552225453353 Energy: 0.5237204468799799 Energy: 0.5626454625427901 Energy: 0.5237204468805241 Energy: 0.5626454625433344 Energy: 0.5237204468802766 Energy: 0.5626454625433344 minimum gb energy = 0.5001110945254855 eV minimum distance = 2.49300197417385 Angstroms sigma value = 81 ======================================== theta = 80.63108442154517 ======================================== Energy: 0.5905351797340492 Energy: 0.5200098045948591 Energy: 0.5905351797355429 Energy: 0.5200098045948591 Energy: 0.5905351797344227 Energy: 0.5200098045952326 Energy: 0.5218407331810596 Energy: 0.5305775332409408 Energy: 0.5218407331773253 Energy: 0.5305775332405673 Energy: 0.5218407331776986 Energy: 0.5305775332405673 Energy: 0.49989303865020573 Energy: 0.4811546633543542 Energy: 0.4998930386509526 Energy: 0.48115466335323387 Energy: 0.4998930386509526 Energy: 0.48115466335323387 Energy: 0.5126509947834855 Energy: 0.5043385524799399 Energy: 0.5126509947827387 Energy: 0.5043385524806867 Energy: 0.5126509947823652 Energy: 0.5043385524799399 Energy: 0.5244044529371458 Energy: 0.5139875563003791 Energy: 0.5244044529382661 Energy: 0.5139875563003791 Energy: 0.5244044529375192 Energy: 0.5139875563000056 Energy: 0.5132030614964684 Energy: 0.5400503011251012 Energy: 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0.5161977906952003 Energy: 0.560349924194718 Energy: 0.5161977906947416 Energy: 0.4681004216336616 Energy: 0.534110396613617 Energy: 0.4681004216341203 Energy: 0.5341103966140757 Energy: 0.4681004216336616 Energy: 0.534110396613617 Energy: 0.5151704745804162 Energy: 0.5526932339486296 Energy: 0.5151704745813336 Energy: 0.5526932339486296 Energy: 0.5151704745808748 Energy: 0.5526932339486296 Energy: 0.5209300517329642 Energy: 0.5171175572377968 Energy: 0.5209300517320469 Energy: 0.5171175572377968 Energy: 0.5209300517329642 Energy: 0.5171175572373382 Energy: 0.5607045552834405 Energy: 0.5198266580374126 Energy: 0.5607045552838992 Energy: 0.5198266580374126 Energy: 0.5607045552838992 Energy: 0.5198266580374126 Energy: 0.49732523954102725 Energy: 0.5386846021921151 Energy: 0.49732523954102725 Energy: 0.5386846021925739 Energy: 0.49732523954148594 Energy: 0.5386846021921151 Energy: 0.5284129728914339 Energy: 0.5102419121296253 Energy: 0.5284129728909752 Energy: 0.5102419121291668 Energy: 0.5284129728905165 Energy: 0.5102419121291668 Energy: 0.5209190559234235 Energy: 0.5098000773409417 Energy: 0.5209190559234235 Energy: 0.5098000773409417 Energy: 0.5209190559229647 Energy: 0.5098000773404829 Energy: 0.5371745956155926 Energy: 0.5652767513712204 Energy: 0.5371745956165099 Energy: 0.5652767513712204 Energy: 0.5371745956165099 Energy: 0.5652767513716791 Energy: 0.5091660014599789 Energy: 0.5165770348394606 Energy: 0.5091660014604377 Energy: 0.5165770348394606 Energy: 0.5091660014599789 Energy: 0.5165770348394606 minimum gb energy = 0.4681004216336616 eV minimum distance = 2.66356065873236 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 0.5012778326612197 Energy: 0.4543505517282514 Energy: 0.5012778326594379 Energy: 0.45435055172765754 Energy: 0.5012778326600319 Energy: 0.4543505517282514 Energy: 0.4834768000714304 Energy: 0.48172754462147804 Energy: 0.48347680007083643 Energy: 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Energy: 0.508569170336288 Energy: 0.4583388698095773 Energy: 0.5099223315363438 Energy: 0.4842702578320424 Energy: 0.5099223315375315 Energy: 0.4842702578320424 Energy: 0.5099223315369378 Energy: 0.48427025783144845 Energy: 0.43079083618225733 Energy: 0.5387571965705756 Energy: 0.43079083618344516 Energy: 0.5387571965705756 Energy: 0.4307908361828513 Energy: 0.5387571965705756 Energy: 0.5128168365757669 Energy: 0.4700672736512267 Energy: 0.5128168365739851 Energy: 0.4700672736512267 Energy: 0.5128168365757669 Energy: 0.4700672736512267 Energy: 0.5705750421705066 Energy: 0.5011527314767518 Energy: 0.5705750421716943 Energy: 0.5011527314761578 Energy: 0.5705750421699126 Energy: 0.5011527314761578 Energy: 0.4810516333632529 Energy: 0.4758354769509951 Energy: 0.4810516333638468 Energy: 0.47583547695158906 Energy: 0.4810516333638468 Energy: 0.4758354769521829 Energy: 0.5427383624655773 Energy: 0.45478512412821126 Energy: 0.5427383624661712 Energy: 0.45478512412170513 Energy: 0.5427383624655773 Energy: 0.45478512413593225 Energy: 0.5070116687618785 Energy: 0.470074700703211 Energy: 0.5070116687642543 Energy: 0.470074700703211 Energy: 0.5070116687630664 Energy: 0.470074700703805 Energy: 0.5101839786374961 Energy: 0.4759959986711245 Energy: 0.5101839786345266 Energy: 0.4759959986717185 Energy: 0.5101839786404658 Energy: 0.4759959986717185 Energy: 0.43077969877855943 Energy: 0.4830149317479481 Energy: 0.4307796987773716 Energy: 0.48301493174676025 Energy: 0.43077969877796546 Energy: 0.48301493174676025 Energy: 0.5104862737784237 Energy: 0.4817683897086293 Energy: 0.5104862737790176 Energy: 0.4817683897086293 Energy: 0.5104862737790176 Energy: 0.4817683897092232 Energy: 0.43084655053506465 Energy: 0.48297987245092555 Energy: 0.43084655053328286 Energy: 0.48297987245151947 Energy: 0.43084655053565857 Energy: 0.48297987245092555 Energy: 0.5099727646198331 Energy: 0.4760450869815077 Energy: 0.5099727646198331 Energy: 0.4760450869797529 Energy: 0.5099727646186454 Energy: 0.4760450869803199 Energy: 0.5068315935487553 Energy: 0.47005857591844524 Energy: 0.5068315935475675 Energy: 0.47005857591844524 Energy: 0.5068315935487553 Energy: 0.47005857591844524 Energy: 0.5427689024243523 Energy: 0.4914308048243912 Energy: 0.5427689024249461 Energy: 0.49143080482557905 Energy: 0.5427689024237583 Energy: 0.4914308048243912 Energy: 0.4810604923612225 Energy: 0.47587312568974693 Energy: 0.48106049236181647 Energy: 0.47587312568974693 Energy: 0.48106049236241033 Energy: 0.4758731256903409 Energy: 0.5706025818896779 Energy: 0.5011281310947255 Energy: 0.5706025818884901 Energy: 0.5011281310947255 Energy: 0.5706025818884901 Energy: 0.5011281310947255 minimum gb energy = 0.4307796987773716 eV minimum distance = 2.65833826245161 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 0.4858253396714432 Energy: 0.43193917294926487 Energy: 0.4858253396714432 Energy: 0.43193917294842504 Energy: 0.4858253396706032 Energy: 0.43193917294842504 Energy: 0.4659074540675439 Energy: 0.483496363611069 Energy: 0.46590745406670403 Energy: 0.483496363611069 Energy: 0.46590745406670403 Energy: 0.483496363611069 Energy: 0.4607963294238875 Energy: 0.4765401647279869 Energy: 0.4607963294238875 Energy: 0.47654016472714694 Energy: 0.4607963294238875 Energy: 0.47654016472714694 Energy: 0.4494557741536691 Energy: 0.5224898712538631 Energy: 0.44945577415450905 Energy: 0.5224898712538631 Energy: 0.44945577414862947 Energy: 0.5224898712538631 Energy: 0.5087580490371374 Energy: 0.493549729563066 Energy: 0.5087580490371374 Energy: 0.493549729563066 Energy: 0.5087580490371374 Energy: 0.493549729563066 Energy: 0.42390083128651734 Energy: 0.47599695521972685 Energy: 0.4239008312856774 Energy: 0.47599695521972685 Energy: 0.42390083128651734 Energy: 0.47599695522056673 Energy: 0.46333549709619826 Energy: 0.49355182254929836 Energy: 0.46333549709535826 Energy: 0.4935518225484584 Energy: 0.463335497097878 Energy: 0.4935518225484584 Energy: 0.45087876973195057 Energy: 0.5156840909263151 Energy: 0.45087876973363034 Energy: 0.5156840909263151 Energy: 0.450878769726911 Energy: 0.5156840909263151 Energy: 0.443622473997763 Energy: 0.47376750515845345 Energy: 0.4436224739969232 Energy: 0.47376750515845345 Energy: 0.4436224739969232 Energy: 0.4737675051592934 Energy: 0.48767327754690587 Energy: 0.4841967429289808 Energy: 0.48767327754690587 Energy: 0.4841967429289808 Energy: 0.48767327754690587 Energy: 0.4841967429289808 Energy: 0.48709556143062377 Energy: 0.47310753884116474 Energy: 0.48709556143062377 Energy: 0.47310753884116474 Energy: 0.48709556143062377 Energy: 0.47310753884116474 Energy: 0.5085522302386545 Energy: 0.5021652847810658 Energy: 0.5085522302386545 Energy: 0.5021652847810658 Energy: 0.5085522302378147 Energy: 0.5021652847810658 Energy: 0.4694596396961045 Energy: 0.476343848309556 Energy: 0.4694596396961045 Energy: 0.47634384830871607 Energy: 0.4694596396961045 Energy: 0.476343848309556 Energy: 0.4433412940340083 Energy: 0.44761024519152176 Energy: 0.4433412940340083 Energy: 0.4476102451906818 Energy: 0.4433412940340083 Energy: 0.4476102451906818 Energy: 0.4253300727171749 Energy: 0.5195515528869763 Energy: 0.42533007271633494 Energy: 0.5195515528869763 Energy: 0.4253300727171749 Energy: 0.5195515528869763 Energy: 0.4248578824258788 Energy: 0.5770563020200159 Energy: 0.42485788242671874 Energy: 0.5770563020208559 Energy: 0.4248578824258788 Energy: 0.5770563020208559 Energy: 0.4426519283602698 Energy: 0.44811674518024464 Energy: 0.4426519283594299 Energy: 0.4481167451794047 Energy: 0.4426519283602698 Energy: 0.44811674518024464 minimum gb energy = 0.4239008312856774 eV minimum distance = 2.65737679186886 Angstroms sigma value = 17 ======================================== theta = 97.054131382119 ======================================== Energy: 0.44484893080008575 Energy: 0.40348583359296686 Energy: 0.4448489307987884 Energy: 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0.45901138277712994 Energy: 0.4591004243939313 Energy: 0.40778785783376054 Energy: 0.40397666789619185 Energy: 0.4077878578347336 Energy: 0.4095742149447709 Energy: 0.40778785783343624 Energy: 0.4095742149450952 Energy: 0.45900626783831316 Energy: 0.4580717657821314 Energy: 0.45900626783863746 Energy: 0.458071765781807 Energy: 0.45900626783798876 Energy: 0.4580717657824558 Energy: 0.47143339600726464 Energy: 0.48108917495014447 Energy: 0.4714333960049941 Energy: 0.48108917494949577 Energy: 0.4714333960059672 Energy: 0.48108917495014447 Energy: 0.40804561333820877 Energy: 0.4041336645327244 Energy: 0.40804561334210093 Energy: 0.4041336645327244 Energy: 0.4080456133388574 Energy: 0.4041336645330488 Energy: 0.4384818837351386 Energy: 0.4950119493672459 Energy: 0.438481883737409 Energy: 0.49501194936692156 Energy: 0.43848188373481417 Energy: 0.4950119493672459 Energy: 0.4736503090519906 Energy: 0.433649807187729 Energy: 0.47365030905036887 Energy: 0.4336498071835125 Energy: 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0.4729265227583102 Energy: 0.4237167127907321 Energy: 0.48654048365478675 Energy: 0.49121535598699595 Energy: 0.48654048365348934 Energy: 0.49121535598732025 Energy: 0.48654048365575986 Energy: 0.4912153559866716 Energy: 0.4486239786768936 Energy: 0.3928034421504773 Energy: 0.4486239786768936 Energy: 0.3928034421492094 Energy: 0.4486239786772179 Energy: 0.3928034421492094 Energy: 0.41000141074153007 Energy: 0.3935397901248886 Energy: 0.41000141074247365 Energy: 0.39353979012423984 Energy: 0.41000141074088137 Energy: 0.39353979012456425 Energy: 0.5400387405852033 Energy: 0.44731697164787604 Energy: 0.540038740585852 Energy: 0.44731697164755174 Energy: 0.5400387405852033 Energy: 0.44731697164755174 Energy: 0.41983882347248436 Energy: 0.4040630564014954 Energy: 0.4198388234715113 Energy: 0.4040630564014954 Energy: 0.4198388234715113 Energy: 0.4040630564018197 Energy: 0.4304844161527488 Energy: 0.43961310152487787 Energy: 0.4304844161543705 Energy: 0.43961310152487787 Energy: 0.4304844161517757 Energy: 0.4396131015252023 Energy: 0.4558777399606522 Energy: 0.4424286771006875 Energy: 0.455877739957733 Energy: 0.4424286771003631 Energy: 0.4558777399613009 Energy: 0.4424286771006875 Energy: 0.4448489307935988 Energy: 0.40348583359296686 Energy: 0.4448489307935988 Energy: 0.40348583359361556 Energy: 0.4448489307942475 Energy: 0.40348583359102075 Energy: 0.4557870267432814 Energy: 0.43896565865206505 Energy: 0.4557870267426327 Energy: 0.4389656586517407 Energy: 0.4557870267426327 Energy: 0.4389656586517407 Energy: 0.43045270542730846 Energy: 0.43958676013717013 Energy: 0.4304527054286059 Energy: 0.4395867601378189 Energy: 0.4304527054286059 Energy: 0.4395867601378189 Energy: 0.42001259154963655 Energy: 0.4175610233823469 Energy: 0.42001259154314946 Energy: 0.4175610233820225 Energy: 0.4200125915460686 Energy: 0.4175610233820225 Energy: 0.5400719629649067 Energy: 0.44732282825429537 Energy: 0.5400719629645823 Energy: 0.44732282825429537 Energy: 0.5400719629649067 Energy: 0.447322828253971 minimum gb energy = 0.3716800275560852 eV minimum distance = 2.57043500931374 Angstroms sigma value = 57 ======================================== theta = 99.36891557845483 ======================================== Energy: 0.41417700275693575 Energy: 0.45595965137966693 Energy: 0.4141770027564076 Energy: 0.45595965137966693 Energy: 0.41417700275482333 Energy: 0.4559596513791388 Energy: 0.41995468657601065 Energy: 0.41660551371490145 Energy: 0.4199546865765387 Energy: 0.4166055137143733 Energy: 0.4199546865744263 Energy: 0.4166055137143733 Energy: 0.41239343623366276 Energy: 0.4166649607270792 Energy: 0.41239343623366276 Energy: 0.41666496072760734 Energy: 0.41239343623366276 Energy: 0.41666496072655107 Energy: 0.45505363219121214 Energy: 0.3962722878062829 Energy: 0.45505363218962774 Energy: 0.3962722878057548 Energy: 0.45505363219121214 Energy: 0.3962722878062829 Energy: 0.41893721421771024 Energy: 0.40982475838337806 Energy: 0.41893721421612584 Energy: 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0.4720264459879791 Energy: 0.4564335750827969 Energy: 0.4720264459895635 Energy: 0.37863494508125306 Energy: 0.4594620780013015 Energy: 0.37863494508125306 Energy: 0.4594620780002453 Energy: 0.3786349450823093 Energy: 0.4594620780007734 Energy: 0.4164110641698106 Energy: 0.4127984797059198 Energy: 0.4164110641703387 Energy: 0.41279847970539174 Energy: 0.4164110641698106 Energy: 0.4127984797059198 Energy: 0.45692051815284196 Energy: 0.42943415609621927 Energy: 0.45692051815125756 Energy: 0.42943415609674734 Energy: 0.45692051815231377 Energy: 0.42943415609621927 Energy: 0.40704512115388913 Energy: 0.48571160815413605 Energy: 0.4070451211528329 Energy: 0.48571160815413605 Energy: 0.40704512115494534 Energy: 0.48571160815413605 Energy: 0.4266208759739858 Energy: 0.4273606765087384 Energy: 0.4266208759729296 Energy: 0.4273606765082103 Energy: 0.4266208759739858 Energy: 0.4273606765082103 Energy: 0.43225570220577975 Energy: 0.42053940349098035 Energy: 0.43225570220577975 Energy: 0.4205394034904522 Energy: 0.4322557022073642 Energy: 0.4205394034915085 Energy: 0.44806417421917033 Energy: 0.46471419906688666 Energy: 0.44806417422022654 Energy: 0.464714199068471 Energy: 0.44806417421917033 Energy: 0.46471419906640654 Energy: 0.4156429020191897 Energy: 0.4398004484101661 Energy: 0.415642902020774 Energy: 0.4398004484101661 Energy: 0.4156429020191897 Energy: 0.43980044841122223 Energy: 0.4160850324841397 Energy: 0.39224357426012463 Energy: 0.41608503248466777 Energy: 0.39224357426065287 Energy: 0.4160850324851959 Energy: 0.39224357426012463 Energy: 0.44759122054455674 Energy: 0.45989142650700476 Energy: 0.4475912205460931 Energy: 0.45989142650647663 Energy: 0.4475912205450849 Energy: 0.45989142650647663 Energy: 0.41832671067457344 Energy: 0.4424597951674908 Energy: 0.4183267106740453 Energy: 0.44245979516643463 Energy: 0.4183267106735171 Energy: 0.4424597951669627 Energy: 0.3837862310914971 Energy: 0.3779982712042327 Energy: 0.3837862310925534 Energy: 0.3779982712042327 Energy: 0.3837862310930815 Energy: 0.3779982712042327 Energy: 0.3847553869862691 Energy: 0.4976096870046066 Energy: 0.38475538698415657 Energy: 0.49760968700513475 Energy: 0.38475538698204415 Energy: 0.4976096870046066 Energy: 0.43819914497881324 Energy: 0.46205834184765404 Energy: 0.4381991449772288 Energy: 0.46205834184659783 Energy: 0.4381991449782851 Energy: 0.46205834184712596 Energy: 0.37797859401778855 Energy: 0.377959933835216 Energy: 0.37797859401990097 Energy: 0.377959933835216 Energy: 0.37797859401884476 Energy: 0.37795993383574406 Energy: 0.36254059213976647 Energy: 0.43994681151475135 Energy: 0.36254059213976647 Energy: 0.43994681151475135 Energy: 0.3625405921408227 Energy: 0.43994681151422327 minimum gb energy = 0.36254059213976647 eV minimum distance = 2.58816452388297 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 0.436096589524333 Energy: 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0.35607900665847836 Energy: 0.4419761136501534 Energy: 0.3560790066588631 Energy: 0.4419761136505382 Energy: 0.36061782217527466 Energy: 0.3255615729325242 Energy: 0.36061782217565946 Energy: 0.3255615729325242 Energy: 0.36061782217565946 Energy: 0.3255615729325242 Energy: 0.3196854454587315 Energy: 0.3625370723590542 Energy: 0.31968544545950106 Energy: 0.3625370723586694 Energy: 0.31968544545950106 Energy: 0.3625370723578997 Energy: 0.40745338728872793 Energy: 0.40431902837130324 Energy: 0.40745338728872793 Energy: 0.40431902837130324 Energy: 0.40745338728872793 Energy: 0.40431902837091843 Energy: 0.3599958680132185 Energy: 0.35524168380087856 Energy: 0.3599958680136033 Energy: 0.3552416838012633 Energy: 0.3599958680132185 Energy: 0.35524168380087856 Energy: 0.3053965789570991 Energy: 0.36227124207574096 Energy: 0.3053965789567143 Energy: 0.36227124207574096 Energy: 0.3053965789570991 Energy: 0.3622712420761257 minimum gb energy = 0.3053965789567143 eV minimum distance = 2.58203721696957 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.17254949817051393 Energy: 0.1894638658802552 Energy: 0.07501412389211305 Energy: 0.1894638658802552 Energy: 0.17254949817064247 Energy: 0.18946386588208675 Energy: 0.3753926613258573 Energy: 0.07550658882519748 Energy: 0.3753926613265642 Energy: 0.07550658882704508 Energy: 0.3753926613257127 Energy: 0.07550658882379975 Energy: 0.3662370162809796 Energy: 0.07541368416962024 Energy: 0.3662370162805619 Energy: 0.07541368416962024 Energy: 0.3662370162809796 Energy: 0.07541368417159636 Energy: 0.07501412389294848 Energy: 0.18946386588252054 Energy: 0.07501412389253077 Energy: 0.18946386588279363 Energy: 0.07501412389281994 Energy: 0.1894638658829383 Energy: 0.37539266132600185 Energy: 0.07550658883919098 Energy: 0.37539266132600185 Energy: 0.07550658883565646 Energy: 0.37539266132600185 Energy: 0.07550658883806637 Energy: 0.36623701628224886 Energy: 0.07541368417103404 Energy: 0.366237016282538 Energy: 0.07541368417103404 Energy: 0.36623701628268257 Energy: 0.07541368417088945 Energy: 0.17254949817107623 Energy: 0.1894638658829383 Energy: 0.07501412389211305 Energy: 0.1894638658829383 Energy: 0.17254949817107623 Energy: 0.18946386588266512 Energy: 0.3753926613250058 Energy: 0.07550658885079065 Energy: 0.37539266132388116 Energy: 0.07550658884866993 Energy: 0.37539266132486115 Energy: 0.07550658884823615 Energy: 0.3662370162828272 Energy: 0.07541368417032715 Energy: 0.3662370162831003 Energy: 0.07541368417003795 Energy: 0.3662370162828272 Energy: 0.07541368417117865 Energy: 0.07501412389253077 Energy: 0.18946386588266512 Energy: 0.07501412389224159 Energy: 0.18946386588266512 Energy: 0.07501412389253077 Energy: 0.18946386588252054 minimum gb energy = 0.07501412389211305 eV minimum distance = 2.79713613031663 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 0.42300435760347915 Energy: 0.35636814505805103 Energy: 0.42300435760432537 Energy: 0.35636814505805103 Energy: 0.42300435760390226 Energy: 0.3563681450584742 Energy: 0.36558587715705926 Energy: 0.3945404573047244 Energy: 0.36558587715705926 Energy: 0.39454045730514753 Energy: 0.3655858771574824 Energy: 0.3945404573055706 Energy: 0.3782722980422821 Energy: 0.39500666417089647 Energy: 0.3782722980422821 Energy: 0.39500666417047336 Energy: 0.3782722980427051 Energy: 0.39500666417131947 Energy: 0.3996173261760199 Energy: 0.3658007667235322 Energy: 0.39961732617686613 Energy: 0.3658007667235322 Energy: 0.3996173261760199 Energy: 0.3658007667235322 Energy: 0.3642244237236326 Energy: 0.36510282422993967 Energy: 0.3642244237236326 Energy: 0.3651028242295166 Energy: 0.3642244237232095 Energy: 0.3651028242282473 Energy: 0.3764110164842198 Energy: 0.3888335313265307 Energy: 0.3764110164842198 Energy: 0.3888335313265307 Energy: 0.3764110164833737 Energy: 0.38883353132695375 Energy: 0.38049855903439533 Energy: 0.37876838392676 Energy: 0.3804985590356647 Energy: 0.3787683839259138 Energy: 0.38049855903439533 Energy: 0.37876838392676 Energy: 0.3616512853169072 Energy: 0.36492949788456913 Energy: 0.3616512853169072 Energy: 0.36492949788456913 Energy: 0.3616512853173303 Energy: 0.3649294978871077 Energy: 0.38679385747818207 Energy: 0.39204033926259646 Energy: 0.38679385747818207 Energy: 0.39204033926259646 Energy: 0.38679385747818207 Energy: 0.39204033926259646 Energy: 0.3550222889566827 Energy: 0.35774572883325956 Energy: 0.3550222889562596 Energy: 0.35774572883325956 Energy: 0.3550222889566827 Energy: 0.35774572883283645 Energy: 0.36889414428644557 Energy: 0.3629227463757742 Energy: 0.36889414428644557 Energy: 0.36292274636140853 Energy: 0.36889414428644557 Energy: 0.3629227463766204 Energy: 0.3939634949491388 Energy: 0.40200200312603307 Energy: 0.3939634949482927 Energy: 0.40200200312603307 Energy: 0.3939634949482927 Energy: 0.40200200312603307 Energy: 0.3955364329602773 Energy: 0.3534084319166229 Energy: 0.39553643296112345 Energy: 0.3534084319166229 Energy: 0.39553643296323887 Energy: 0.353408431917046 Energy: 0.36467413646823216 Energy: 0.3886121585857591 Energy: 0.36467413646823216 Energy: 0.38861215858618214 Energy: 0.36467413646738595 Energy: 0.3886121585857591 Energy: 0.3861051778295587 Energy: 0.387479066522421 Energy: 0.38610517782998177 Energy: 0.3874790665236903 Energy: 0.3861051778295587 Energy: 0.3874790665232672 Energy: 0.4018945605626918 Energy: 0.3611293972330419 Energy: 0.4018945605622688 Energy: 0.36112939723388804 Energy: 0.4018945605626918 Energy: 0.36112939723346493 Energy: 0.38712438811295913 Energy: 0.39525376933537865 Energy: 0.38712438811211297 Energy: 0.39525376933537865 Energy: 0.387124388112536 Energy: 0.39525376933495554 Energy: 0.3938819589904159 Energy: 0.37858888124831513 Energy: 0.393881958990839 Energy: 0.37858888124789203 Energy: 0.3938819589904159 Energy: 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Energy: 0.40174594030569283 Energy: 0.3835330022944812 Energy: 0.4017459403052698 Energy: 0.3835330022944812 Energy: 0.4017459403048466 Energy: 0.3835330022949042 Energy: 0.354765731985324 Energy: 0.3958432786462917 Energy: 0.354765731985324 Energy: 0.3958432786462917 Energy: 0.354765731985324 Energy: 0.39584327864586866 Energy: 0.38491947501735596 Energy: 0.39392234342177096 Energy: 0.38491947501735596 Energy: 0.39392234342219395 Energy: 0.38491947501693285 Energy: 0.39392234342177096 minimum gb energy = 0.3260042384878526 eV minimum distance = 2.63058512197905 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 0.4606950020694811 Energy: 0.41580942292227135 Energy: 0.4606950020706868 Energy: 0.41580942292227135 Energy: 0.4606950020700839 Energy: 0.41580942292227135 Energy: 0.4212958969227225 Energy: 0.4460741156069531 Energy: 0.42129589692211966 Energy: 0.4460741156069531 Energy: 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0.44649950304535374 Energy: 0.41692229452093255 Energy: 0.4166058433241299 Energy: 0.41692229452153534 Energy: 0.4166058433247327 Energy: 0.41692229452032964 Energy: 0.4166058433241299 Energy: 0.41543013187872163 Energy: 0.43319589790161517 Energy: 0.4154301318757073 Energy: 0.43319589790101226 Energy: 0.4154301318738989 Energy: 0.43319589790161517 Energy: 0.42366867909614747 Energy: 0.43925034356089376 Energy: 0.42366867909675027 Energy: 0.43925034356089376 Energy: 0.42366867909675027 Energy: 0.43925034356089376 Energy: 0.4321139403820619 Energy: 0.4062171132987877 Energy: 0.4321139403820619 Energy: 0.4062171132987877 Energy: 0.4321139403826647 Energy: 0.40621711329939053 Energy: 0.43170917477517246 Energy: 0.45254040418343916 Energy: 0.4317091747733639 Energy: 0.45254040418343916 Energy: 0.4317091747739667 Energy: 0.45254040418343916 Energy: 0.4294832339611894 Energy: 0.4574204787979923 Energy: 0.4294832339617923 Energy: 0.4574204787985951 Energy: 0.4294832339611894 Energy: 0.4574204787979923 Energy: 0.45850421518097434 Energy: 0.40578130703119497 Energy: 0.4585042151827829 Energy: 0.40578130703119497 Energy: 0.4585042151803715 Energy: 0.40578130703119497 Energy: 0.46223951941814284 Energy: 0.46788512835580787 Energy: 0.46223951942055425 Energy: 0.46788512835580787 Energy: 0.46223951942055425 Energy: 0.4678851283564107 Energy: 0.40896693701854436 Energy: 0.45684847196976397 Energy: 0.40896693701613296 Energy: 0.45684847196976397 Energy: 0.40896693701854436 Energy: 0.45684847196976397 minimum gb energy = 0.40175135777790427 eV minimum distance = 2.6333033055126 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 0.48974449289581595 Energy: 0.42820608704946284 Energy: 0.4897444928954335 Energy: 0.4282060870498453 Energy: 0.48974449289505106 Energy: 0.42820608704946284 Energy: 0.44327080916922207 Energy: 0.4702616016374825 Energy: 0.44327080916922207 Energy: 0.4702616016374825 Energy: 0.4432708091688396 Energy: 0.4702616016371 Energy: 0.4834476969643625 Energy: 0.4716154739972447 Energy: 0.4834476969639801 Energy: 0.4716154739972447 Energy: 0.4834476969639801 Energy: 0.4716154739972447 Energy: 0.48153909203994344 Energy: 0.43349176568191694 Energy: 0.48153909203879613 Energy: 0.43349176568191694 Energy: 0.48153909203994344 Energy: 0.43349176568191694 Energy: 0.4664795866780213 Energy: 0.4413532976284721 Energy: 0.4664795866772564 Energy: 0.4413532976277072 Energy: 0.46647958667763884 Energy: 0.4413532976277072 Energy: 0.5201914505977348 Energy: 0.4746272216278245 Energy: 0.5201914505977348 Energy: 0.4746272216282069 Energy: 0.5201914505981172 Energy: 0.4746272216282069 Energy: 0.4431651743872984 Energy: 0.4681829345976627 Energy: 0.4431651743876809 Energy: 0.4681829345972803 Energy: 0.4431651743876809 Energy: 0.4681829345976627 Energy: 0.47479781370129165 Energy: 0.4792648089729103 Energy: 0.47479781370167407 Energy: 0.4792648089725279 Energy: 0.47479781370129165 Energy: 0.4792648089725279 Energy: 0.46530985891670157 Energy: 0.47585675812109507 Energy: 0.46530985891631915 Energy: 0.47585675812109507 Energy: 0.46530985891631915 Energy: 0.47585675812109507 Energy: 0.5032626801944857 Energy: 0.44767968215930887 Energy: 0.5032626801967803 Energy: 0.44767968215930887 Energy: 0.5032626801948681 Energy: 0.44767968215892645 Energy: 0.4793365414564146 Energy: 0.4732636341500586 Energy: 0.4793365414564146 Energy: 0.4732636341496762 Energy: 0.47933654145564975 Energy: 0.4732636341504411 Energy: 0.4430942959317241 Energy: 0.4485406193000899 Energy: 0.4430942959305768 Energy: 0.4485406193000899 Energy: 0.44309429593210653 Energy: 0.4485406193000899 Energy: 0.4815823276399022 Energy: 0.4511390314130086 Energy: 0.4815823276399022 Energy: 0.4511390314130086 Energy: 0.4815823276410495 Energy: 0.4511390314130086 Energy: 0.4586107046315483 Energy: 0.46305923828497564 Energy: 0.4586107046311659 Energy: 0.46305923828497564 Energy: 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0.4746783692725534 Energy: 0.47025028367661215 Energy: 0.48266696118182784 Energy: 0.4777803464173077 Energy: 0.48266696118106295 Energy: 0.4777803464173077 Energy: 0.4826669611822103 Energy: 0.4777803464173077 Energy: 0.46455907716716194 Energy: 0.4353300222767872 Energy: 0.46455907716677947 Energy: 0.4353300222771696 Energy: 0.46455907716677947 Energy: 0.4353300222767872 Energy: 0.4550388145411589 Energy: 0.47334555738604833 Energy: 0.45503881454077644 Energy: 0.47334555738566586 Energy: 0.45503881454001155 Energy: 0.47334555738528344 Energy: 0.4927028093336954 Energy: 0.4432814056882616 Energy: 0.492702809333313 Energy: 0.4432814056878791 Energy: 0.49270280933446026 Energy: 0.4432814056882616 Energy: 0.44346135825148336 Energy: 0.44780041034666707 Energy: 0.44346135825301314 Energy: 0.44780041034704954 Energy: 0.44346135824727656 Energy: 0.44780041034704954 Energy: 0.4545559359975132 Energy: 0.4714495751548102 Energy: 0.4545559359971308 Energy: 0.4714495751540453 Energy: 0.4545559359971308 Energy: 0.4714495751544277 Energy: 0.4430004238551599 Energy: 0.4354966139528851 Energy: 0.4430004238536302 Energy: 0.4354966139528851 Energy: 0.4430004238532477 Energy: 0.4354966139528851 Energy: 0.49411912290335863 Energy: 0.4957644583114366 Energy: 0.49411912290297627 Energy: 0.4957644583122014 Energy: 0.49411912290374105 Energy: 0.4957644583118191 Energy: 0.4764380553224463 Energy: 0.4412254691562369 Energy: 0.4764380553232112 Energy: 0.4412254691566193 Energy: 0.47643805532282874 Energy: 0.441225469155472 Energy: 0.4437788276356706 Energy: 0.4699997881679218 Energy: 0.4437788276352882 Energy: 0.46999978816753935 Energy: 0.4437788276356706 Energy: 0.46999978816753935 Energy: 0.505559606573255 Energy: 0.4921126840619828 Energy: 0.5055596065721077 Energy: 0.4921126840619828 Energy: 0.5055596065724902 Energy: 0.4921126840619828 Energy: 0.4652415038461608 Energy: 0.44895887574633586 Energy: 0.4652415038476906 Energy: 0.44895887574518856 Energy: 0.4652415038461608 Energy: 0.4489588757448061 Energy: 0.48441390166386095 Energy: 0.49177631808348377 Energy: 0.48441390166386095 Energy: 0.49177631808310135 Energy: 0.48441390166386095 Energy: 0.49177631808348377 Energy: 0.4588128740211034 Energy: 0.4495377280306755 Energy: 0.4588128740203385 Energy: 0.4495377280306755 Energy: 0.4588128740211034 Energy: 0.44953772803029307 Energy: 0.44885732243819476 Energy: 0.47178366562453683 Energy: 0.44885732243934207 Energy: 0.4717836656249192 Energy: 0.44885732243819476 Energy: 0.4717836656249192 Energy: 0.4971259646368493 Energy: 0.4304057869807858 Energy: 0.49712596463608444 Energy: 0.4304057869807858 Energy: 0.4971259646364669 Energy: 0.4304057869807858 Energy: 0.4449382893470907 Energy: 0.4470466277684437 Energy: 0.44493828934670826 Energy: 0.4470466277684437 Energy: 0.4449382893470907 Energy: 0.4470466277684437 minimum gb energy = 0.42820608704946284 eV minimum distance = 2.64828997164167 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.5157020455752908 Energy: 0.4893918251462563 Energy: 0.5157020455752908 Energy: 0.48939182514521207 Energy: 0.5157020455752908 Energy: 0.48939182514521207 Energy: 0.4869796870843694 Energy: 0.5011885512822974 Energy: 0.4869796870843694 Energy: 0.5011885512822974 Energy: 0.4869796870843694 Energy: 0.5011885512822974 Energy: 0.5820092379364216 Energy: 0.5060334516644258 Energy: 0.5820092379374658 Energy: 0.5060334516644258 Energy: 0.5820092379364216 Energy: 0.5060334516644258 Energy: 0.5244108043258987 Energy: 0.5476543141888497 Energy: 0.5244108043248545 Energy: 0.5476543141888497 Energy: 0.5244108043258987 Energy: 0.5476543141888497 Energy: 0.524514804456531 Energy: 0.48714535660288355 Energy: 0.5245148044554867 Energy: 0.48714535660392766 Energy: 0.5245148044554867 Energy: 0.48714535660392766 Energy: 0.5484145295754312 Energy: 0.5205739080216187 Energy: 0.5484145295754312 Energy: 0.5205739080216187 Energy: 0.5484145295754312 Energy: 0.5205739080216187 Energy: 0.49998720831952204 Energy: 0.4628127739456158 Energy: 0.49998720831847787 Energy: 0.46281277394666 Energy: 0.49998720831952204 Energy: 0.46281277394666 Energy: 0.5030766467852227 Energy: 0.49082892024244845 Energy: 0.5030766467841785 Energy: 0.4908289202434926 Energy: 0.5030766467852227 Energy: 0.49082892024244845 Energy: 0.485148616134948 Energy: 0.47274015964927885 Energy: 0.48514861613599214 Energy: 0.47274015965032296 Energy: 0.48514861613599214 Energy: 0.47274015965032296 Energy: 0.5117032366009464 Energy: 0.49808602530501145 Energy: 0.5117032366009464 Energy: 0.49808602530501145 Energy: 0.5117032366019907 Energy: 0.49808602530501145 Energy: 0.4879035272122673 Energy: 0.5058084310544372 Energy: 0.4879035272133115 Energy: 0.5058084310544372 Energy: 0.4879035272133115 Energy: 0.5058084310544372 Energy: 0.5142917027933415 Energy: 0.5013884665534992 Energy: 0.5142917027922973 Energy: 0.5013884665534992 Energy: 0.5142917027933415 Energy: 0.5013884665524551 Energy: 0.5319805851656589 Energy: 0.5501750987419157 Energy: 0.5319805851667031 Energy: 0.5501750987419157 Energy: 0.5319805851667031 Energy: 0.5501750987408716 Energy: 0.5252928115442077 Energy: 0.510925737751722 Energy: 0.5252928115442077 Energy: 0.510925737751722 Energy: 0.5252928115442077 Energy: 0.510925737751722 minimum gb energy = 0.4628127739456158 eV minimum distance = 2.54635892534606 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 0.5660296789590621 Energy: 0.5659726991060652 Energy: 0.5660296789595207 Energy: 0.5659726991056065 Energy: 0.5660296789586033 Energy: 0.5659726991056065 Energy: 0.5474656178324554 Energy: 0.5463152625843499 Energy: 0.5474656178319967 Energy: 0.5463152625848086 Energy: 0.5474656178324554 Energy: 0.5463152625848086 Energy: 0.5756287483764106 Energy: 0.5260687477773188 Energy: 0.5756287483764106 Energy: 0.5260687477773188 Energy: 0.5756287483759521 Energy: 0.5260687477777776 Energy: 0.5411257882154722 Energy: 0.5232942660578568 Energy: 0.5411257882154722 Energy: 0.523294266057398 Energy: 0.5411257882154722 Energy: 0.523294266057398 Energy: 0.5621892400829368 Energy: 0.5265972802397269 Energy: 0.5621892400829368 Energy: 0.5265972802392681 Energy: 0.5621892400824781 Energy: 0.5265972802397269 Energy: 0.5267510747142427 Energy: 0.5591559991493702 Energy: 0.5267510747142427 Energy: 0.5591559991493702 Energy: 0.526751074713784 Energy: 0.5591559991493702 Energy: 0.5357944429786684 Energy: 0.5451598035486073 Energy: 0.5357944429786684 Energy: 0.5451598035486073 Energy: 0.535794442979127 Energy: 0.5451598035486073 Energy: 0.5260195092478326 Energy: 0.534577880738418 Energy: 0.5260195092482911 Energy: 0.5345778807388767 Energy: 0.5260195092482911 Energy: 0.534577880738418 Energy: 0.533651366346385 Energy: 0.5347681640968921 Energy: 0.5336513663459262 Energy: 0.5347681640968921 Energy: 0.5336513663468437 Energy: 0.5347681640968921 Energy: 0.5241072916054684 Energy: 0.5685671944656355 Energy: 0.5241072916054684 Energy: 0.5685671944656355 Energy: 0.5241072916050097 Energy: 0.5685671944656355 Energy: 0.5361307941467043 Energy: 0.5448668112073812 Energy: 0.5361307941467043 Energy: 0.5448668112073812 Energy: 0.5361307941467043 Energy: 0.5448668112078399 Energy: 0.5416850798381291 Energy: 0.5580301849990043 Energy: 0.5416850798372116 Energy: 0.5580301849990043 Energy: 0.5416850798381291 Energy: 0.5580301849994629 Energy: 0.5386380285912846 Energy: 0.5366280275408213 Energy: 0.5386380285908259 Energy: 0.5366280275408213 Energy: 0.5386380285908259 Energy: 0.53662802754128 Energy: 0.5383217640467238 Energy: 0.5358991192128784 Energy: 0.5383217640476412 Energy: 0.5358991192128784 Energy: 0.5383217640467238 Energy: 0.5358991192128784 Energy: 0.548507901701912 Energy: 0.5327203263680906 Energy: 0.5485079017028294 Energy: 0.5327203263680906 Energy: 0.5263040654080846 Energy: 0.5327203263680906 Energy: 0.5361825161705149 Energy: 0.5449421629782856 Energy: 0.5361825161705149 Energy: 0.5449421629782856 Energy: 0.5361825161695974 Energy: 0.5449421629782856 Energy: 0.5181675358953807 Energy: 0.5512193859555112 Energy: 0.5181675358953807 Energy: 0.5512193859555112 Energy: 0.5181675358944632 Energy: 0.5512193859555112 Energy: 0.5498726870697973 Energy: 0.5603174567707201 Energy: 0.5498726870684212 Energy: 0.5603174567707201 Energy: 0.5498726870693386 Energy: 0.5603174567707201 Energy: 0.524582283666378 Energy: 0.5166615393425266 Energy: 0.5245822836654607 Energy: 0.5166615393425266 Energy: 0.524582283666378 Energy: 0.5166615393425266 Energy: 0.5540399791419198 Energy: 0.5322054530478945 Energy: 0.5540399791423785 Energy: 0.5322054530474357 Energy: 0.5540399791419198 Energy: 0.5322054530474357 Energy: 0.5510193925420931 Energy: 0.5262854611297216 Energy: 0.5510193925420931 Energy: 0.526285461129263 Energy: 0.5510193925416345 Energy: 0.5262854611297216 Energy: 0.548376200524399 Energy: 0.5664723686436168 Energy: 0.548376200524399 Energy: 0.5664723686431581 Energy: 0.5483762005239403 Energy: 0.5664723686431581 Energy: 0.5511305419497754 Energy: 0.5328976371668233 Energy: 0.551130541948858 Energy: 0.5328976371668233 Energy: 0.5511305419493167 Energy: 0.5328976371672819 Energy: 0.5564818543794561 Energy: 0.5456258066761034 Energy: 0.5564818543794561 Energy: 0.5456258066761034 Energy: 0.5564818543799148 Energy: 0.5456258066756446 Energy: 0.5276730863718944 Energy: 0.5581921861324957 Energy: 0.5276730863718944 Energy: 0.558192186132037 Energy: 0.5276730863714357 Energy: 0.5581921861324957 Energy: 0.5353773234317877 Energy: 0.5303466412177659 Energy: 0.5353773234322463 Energy: 0.5303466412177659 Energy: 0.5353773234313289 Energy: 0.5303466412182245 Energy: 0.527906060678187 Energy: 0.5544904971932856 Energy: 0.5279060606786458 Energy: 0.5544904971937443 Energy: 0.5279060606786458 Energy: 0.5544904971937443 Energy: 0.5318329123723895 Energy: 0.51853195755494 Energy: 0.531832912373307 Energy: 0.51853195755494 Energy: 0.5318329123723895 Energy: 0.51853195755494 Energy: 0.5381891789816535 Energy: 0.5449838136770591 Energy: 0.5381891789821123 Energy: 0.5449838136775177 Energy: 0.538189178982571 Energy: 0.5449838136775177 Energy: 0.5279783103411547 Energy: 0.5441939423725268 Energy: 0.5279783103406961 Energy: 0.5441939423725268 Energy: 0.5279783103406961 Energy: 0.5441939423725268 Energy: 0.5258722288761473 Energy: 0.5684945471057757 Energy: 0.525872228876606 Energy: 0.5684945471062345 Energy: 0.5258722288756886 Energy: 0.5684945471057757 minimum gb energy = 0.5166615393425266 eV minimum distance = 2.53070075919118 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 0.494889199918461 Energy: 0.5081936739454758 Energy: 0.49488919991927727 Energy: 0.508193673946292 Energy: 0.494889199918461 Energy: 0.508193673946292 Energy: 0.5221641661021589 Energy: 0.5402035579036584 Energy: 0.5221641661021589 Energy: 0.5402035579036584 Energy: 0.5221641661021589 Energy: 0.5402035579036584 Energy: 0.5366479386360656 Energy: 0.5115315888480221 Energy: 0.5366479386360656 Energy: 0.5115315888480221 Energy: 0.5366479386368819 Energy: 0.5115315888480221 Energy: 0.4871735094969449 Energy: 0.5828026345909354 Energy: 0.4871735094969449 Energy: 0.5828026345909354 Energy: 0.48717350949776117 Energy: 0.5828026345909354 Energy: 0.5367688964036151 Energy: 0.5115489547307351 Energy: 0.5367688964052476 Energy: 0.5115489547307351 Energy: 0.5367688964036151 Energy: 0.5115489547315514 Energy: 0.5221705110392869 Energy: 0.5401528029226642 Energy: 0.5221705110384706 Energy: 0.5731087422473877 Energy: 0.5221705110392869 Energy: 0.5436830538339001 Energy: 0.494889199918461 Energy: 0.5081936739479245 Energy: 0.49488919991927727 Energy: 0.5081936739479245 Energy: 0.494889199918461 Energy: 0.5081936739479245 Energy: 0.5221641661070565 Energy: 0.5402035579044747 Energy: 0.5221641661070565 Energy: 0.5402035579044747 Energy: 0.5221641661078726 Energy: 0.5402035579044747 Energy: 0.5366479386376981 Energy: 0.5115315888504709 Energy: 0.5366479386376981 Energy: 0.5115315888504709 Energy: 0.5366479386376981 Energy: 0.5115315888504709 Energy: 0.48717350949612864 Energy: 0.5828026345909354 Energy: 0.48717350949531235 Energy: 0.60568339832117 Energy: 0.4871735094944961 Energy: 0.5935998725559423 Energy: 0.5367688964027988 Energy: 0.5115489547348164 Energy: 0.5367688964036151 Energy: 0.5115489547348164 Energy: 0.5367688964027988 Energy: 0.5115489547348164 Energy: 0.522170511042552 Energy: 0.5401528029226642 Energy: 0.522170511042552 Energy: 0.5860444893500306 Energy: 0.522170511042552 Energy: 0.5026239617222603 Energy: 0.494889199918461 Energy: 0.508193673946292 Energy: 0.494889199918461 Energy: 0.5081936739454758 Energy: 0.494889199918461 Energy: 0.508193673946292 Energy: 0.5221641661021589 Energy: 0.5402035579036584 Energy: 0.5221641661021589 Energy: 0.5402035579036584 Energy: 0.5221641661021589 Energy: 0.5402035579028421 Energy: 0.5366479386360656 Energy: 0.5115315888488383 Energy: 0.5366479386368819 Energy: 0.5115315888480221 Energy: 0.5366479386368819 Energy: 0.5115315888488383 Energy: 0.48717350949776117 Energy: 0.5842117398831467 Energy: 0.48717350949776117 Energy: 0.6341744594500234 Energy: 0.4871735094969449 Energy: 0.5842117398839629 Energy: 0.5367688964036151 Energy: 0.5115489547307351 Energy: 0.5367688964052476 Energy: 0.5115489547307351 Energy: 0.5367688964027988 Energy: 0.5115489547307351 minimum gb energy = 0.4871735094944961 eV minimum distance = 2.64579023690233 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 0.5353516405808425 Energy: 0.5802341113159986 Energy: 0.5353516405808425 Energy: 0.5802341113159986 Energy: 0.5353516405808425 Energy: 0.5802341113153321 Energy: 0.5659205872885174 Energy: 0.5825252127653586 Energy: 0.5659205872885174 Energy: 0.5825252127653586 Energy: 0.5659205872885174 Energy: 0.5825252127646922 Energy: 0.5585773816130878 Energy: 0.5464575730811506 Energy: 0.5585773816130878 Energy: 0.5464575730811506 Energy: 0.5585773816137543 Energy: 0.5464575730811506 Energy: 0.5198547415227524 Energy: 0.6111761002744961 Energy: 0.5198547415227524 Energy: 0.6111761002738296 Energy: 0.5198547415227524 Energy: 0.6111761002744961 Energy: 0.5359013758931206 Energy: 0.5603124887879002 Energy: 0.5359013758957563 Energy: 0.5603124887879002 Energy: 0.5359013758917878 Energy: 0.5603124887872337 Energy: 0.6023063776574694 Energy: 0.5334047921967415 Energy: 0.6023063776574694 Energy: 0.5334047921967415 Energy: 0.6023063776574694 Energy: 0.5334047921967415 Energy: 0.524000744556917 Energy: 0.5684335306970288 Energy: 0.5240007445575835 Energy: 0.5684335306976953 Energy: 0.52400074455825 Energy: 0.5684335306976953 Energy: 0.5839323014457714 Energy: 0.5453999089729098 Energy: 0.5839323014457714 Energy: 0.5453999089729098 Energy: 0.5839323014457714 Energy: 0.5453999089729098 Energy: 0.6070513008242728 Energy: 0.534739155988444 Energy: 0.6070513008209406 Energy: 0.5347391559877775 Energy: 0.607051300820274 Energy: 0.5347391559877775 Energy: 0.5195334435130716 Energy: 0.5560173357210616 Energy: 0.5195334435130716 Energy: 0.5560173357210616 Energy: 0.5195334435137381 Energy: 0.5560173357210616 Energy: 0.5698039368261009 Energy: 0.5646371651635769 Energy: 0.5698039368307661 Energy: 0.5646371651629104 Energy: 0.5698039368314326 Energy: 0.5646371651635769 Energy: 0.5799207572764594 Energy: 0.5259828430410187 Energy: 0.5799207572764594 Energy: 0.5259828430416852 Energy: 0.5799207572777925 Energy: 0.5259828430410187 Energy: 0.5249590516645819 Energy: 0.6166047671136459 Energy: 0.5249590516665812 Energy: 0.6166047671136459 Energy: 0.5249590516639154 Energy: 0.6166047671136459 Energy: 0.5591683555167466 Energy: 0.5767554366364176 Energy: 0.5591683555167466 Energy: 0.5767554366364176 Energy: 0.5591683555160801 Energy: 0.5767554366370841 Energy: 0.5797352265949138 Energy: 0.5398678157126525 Energy: 0.5797352265949138 Energy: 0.5398678157126525 Energy: 0.5797352265955803 Energy: 0.5398678157126525 Energy: 0.5366156470165986 Energy: 0.5725728255558301 Energy: 0.5366156470159321 Energy: 0.5725728255558301 Energy: 0.5366156470159321 Energy: 0.5725728255558301 Energy: 0.5357804244202702 Energy: 0.5708835140753163 Energy: 0.5357804244202702 Energy: 0.5708835140746498 Energy: 0.5357804244216032 Energy: 0.5708835140746498 Energy: 0.6169958208634662 Energy: 0.5271588445125877 Energy: 0.6169958208627997 Energy: 0.5271588445125877 Energy: 0.6169958208634662 Energy: 0.5271588445125877 Energy: 0.5378472192885039 Energy: 0.5579897214730005 Energy: 0.5378472192898368 Energy: 0.5579897214730005 Energy: 0.5378472192885039 Energy: 0.5579897214730005 Energy: 0.5287486731089798 Energy: 0.5743117701051351 Energy: 0.5287486731096463 Energy: 0.5743117701051351 Energy: 0.5287486731096463 Energy: 0.5743117701058017 Energy: 0.5775707159969794 Energy: 0.5251116390037398 Energy: 0.5775707159976459 Energy: 0.5251116390030733 Energy: 0.5775707159976459 Energy: 0.5251116390030733 minimum gb energy = 0.5195334435130716 eV minimum distance = 2.58412730409664 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 0.5520640702659755 Energy: 0.6245643254684602 Energy: 0.5358548732409771 Energy: 0.6245643254684602 Energy: 0.5520640702659755 Energy: 0.6245643254707073 Energy: 0.5511261449681624 Energy: 0.5260466393305994 Energy: 0.5511261449676005 Energy: 0.5260466393305994 Energy: 0.5511261449681624 Energy: 0.5260466393289139 Energy: 0.526067599378568 Energy: 0.5118503884527089 Energy: 0.52606759937295 Energy: 0.5118503884527089 Energy: 0.5260675993780062 Energy: 0.5118503884560797 Energy: 0.4904724118443802 Energy: 0.5472053641888868 Energy: 0.49047241184494195 Energy: 0.547205364188325 Energy: 0.49047241184494195 Energy: 0.547205364185516 Energy: 0.4922415283469647 Energy: 0.5507387348733717 Energy: 0.4922415283441558 Energy: 0.5507387348733717 Energy: 0.4922415283469647 Energy: 0.5507387348773042 Energy: 0.5786499830813567 Energy: 0.5412025132734474 Energy: 0.5786499830785478 Energy: 0.5412025132734474 Energy: 0.5786499830802332 Energy: 0.5412025132655822 Energy: 0.49997751681795455 Energy: 0.5626051562059181 Energy: 0.49997751682020175 Energy: 0.5626051562064799 Energy: 0.49997751681795455 Energy: 0.562605156208727 Energy: 0.5505032078699829 Energy: 0.5215044513821544 Energy: 0.5505032078688593 Energy: 0.5215044513827163 Energy: 0.5505032078699829 Energy: 0.5215044513838398 Energy: 0.5808648987165682 Energy: 0.4920909474942784 Energy: 0.5808305943944531 Energy: 0.49209094749484017 Energy: 0.5808648987165682 Energy: 0.49209094749764903 Energy: 0.5406757241006898 Energy: 0.5657884321784294 Energy: 0.5406880532166292 Energy: 0.5657884321784294 Energy: 0.5406757241001534 Energy: 0.5657884321761824 Energy: 0.5406246144835484 Energy: 0.5412780773209431 Energy: 0.5407077121251536 Energy: 0.5412780773209431 Energy: 0.5406246144835484 Energy: 0.5412780773226286 Energy: 0.5615341016617552 Energy: 0.4978045834775922 Energy: 0.5615341016606316 Energy: 0.4978045834775922 Energy: 0.5615341016617552 Energy: 0.4978045834764687 Energy: 0.5227584298216309 Energy: 0.5472057854352526 Energy: 0.5227584298216309 Energy: 0.5472057854352526 Energy: 0.5227584298216309 Energy: 0.5472057854285111 Energy: 0.4904032586033936 Energy: 0.535156333255698 Energy: 0.4904032586056408 Energy: 0.535156333255698 Energy: 0.4904032586033936 Energy: 0.5351563332568215 Energy: 0.6119316039804191 Energy: 0.5411085391951177 Energy: 0.6123159872556149 Energy: 0.5411085391956796 Energy: 0.6119316039798574 Energy: 0.5411085391939943 Energy: 0.5262690589420536 Energy: 0.5558029475827463 Energy: 0.5262690589454243 Energy: 0.5558029475827463 Energy: 0.5262690589420536 Energy: 0.5558029475816226 Energy: 0.4990562167443971 Energy: 0.5249842584686178 Energy: 0.4990562167443971 Energy: 0.5249842584686178 Energy: 0.4990562167443971 Energy: 0.5249842584669325 Energy: 0.5493483037860802 Energy: 0.5203011553115884 Energy: 0.5493483037872038 Energy: 0.5203011553110266 Energy: 0.549348303786642 Energy: 0.5203011553121503 Energy: 0.5536033887722053 Energy: 0.4921718019986507 Energy: 0.5047330646734043 Energy: 0.4921718019986507 Energy: 0.5536033887722053 Energy: 0.49217180199977434 Energy: 0.5520640702648518 Energy: 0.6245643254678984 Energy: 0.5358548732460332 Energy: 0.6245643254678984 Energy: 0.5520640702648518 Energy: 0.6245643254735164 Energy: 0.5511261449687241 Energy: 0.5260466393266924 Energy: 0.5511261449692859 Energy: 0.5260466393266924 Energy: 0.5511261449681624 Energy: 0.5260466393278159 Energy: 0.526067599378568 Energy: 0.5118503884487764 Energy: 0.5260675993718266 Energy: 0.5118503884487764 Energy: 0.5260675993780062 Energy: 0.5118503884521471 Energy: 0.4904724118443802 Energy: 0.5472053641872014 Energy: 0.49047241184606555 Energy: 0.5472053641872014 Energy: 0.4904724118443802 Energy: 0.5472053641832945 Energy: 0.4922415283486501 Energy: 0.5507387348739334 Energy: 0.4922415283441558 Energy: 0.5507387348739334 Energy: 0.49224152834921187 Energy: 0.5507387348767424 Energy: 0.5786499830836038 Energy: 0.5412025132695149 Energy: 0.5786499830824803 Energy: 0.5412025132695149 Energy: 0.5786499830836038 Energy: 0.541202513260526 minimum gb energy = 0.4904032586033936 eV minimum distance = 2.54505096165952 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 0.5004831325058254 Energy: 0.6059679791611258 Energy: 0.5004831325058254 Energy: 0.6059679791606407 Energy: 0.5004831325063103 Energy: 0.6059679791606407 Energy: 0.545478460575602 Energy: 0.49269851872686354 Energy: 0.5454784605765718 Energy: 0.49269851872686354 Energy: 0.545478460575602 Energy: 0.49269851872686354 Energy: 0.6059015529814961 Energy: 0.4830404988393468 Energy: 0.6059015529814961 Energy: 0.4830404988388618 Energy: 0.6222305726747004 Energy: 0.4830404988388618 Energy: 0.48010725022225187 Energy: 0.5573763696413934 Energy: 0.48010725022225187 Energy: 0.5573763696413934 Energy: 0.480107250221767 Energy: 0.5573763696413934 Energy: 0.4828687263087253 Energy: 0.5444787918697757 Energy: 0.48286872630824035 Energy: 0.5444787918697757 Energy: 0.48286872630824035 Energy: 0.5444787918697757 Energy: 0.557324792990687 Energy: 0.4852488534461983 Energy: 0.557324792990687 Energy: 0.4852488534461983 Energy: 0.5573247929902022 Energy: 0.4852488534466833 Energy: 0.4833061125375428 Energy: 0.6110731085468823 Energy: 0.4833061125370578 Energy: 0.6110731085468823 Energy: 0.4833061125370578 Energy: 0.6110731085468823 Energy: 0.5000969734249698 Energy: 0.5741745477512116 Energy: 0.5000969734254547 Energy: 0.5741745477512116 Energy: 0.5000969734249698 Energy: 0.5741745477512116 Energy: 0.5619006694716103 Energy: 0.4731004314465931 Energy: 0.5619006694716103 Energy: 0.4731004314465931 Energy: 0.5619006694711255 Energy: 0.4731004314461082 Energy: 0.4885333312044785 Energy: 0.5339648523512813 Energy: 0.4885333312044785 Energy: 0.5339648523498266 Energy: 0.4885333312044785 Energy: 0.5339648523503114 Energy: 0.4756900468221953 Energy: 0.6055225597835702 Energy: 0.47569004682268023 Energy: 0.6055225597835702 Energy: 0.4756900468221953 Energy: 0.6055225597835702 Energy: 0.5680267351437148 Energy: 0.4815754148271744 Energy: 0.5680267351441998 Energy: 0.48157541482668953 Energy: 0.5680267351437148 Energy: 0.4815754148262046 Energy: 0.5159300494871272 Energy: 0.4948427572812819 Energy: 0.5159300494866422 Energy: 0.4948427572812819 Energy: 0.5159300494871272 Energy: 0.4948427572812819 Energy: 0.48238320226463366 Energy: 0.5535248338563695 Energy: 0.48238320226463366 Energy: 0.5535248338568545 Energy: 0.4823832022636639 Energy: 0.5535248338563695 Energy: 0.535295443590296 Energy: 0.47349949657558266 Energy: 0.5352954435912659 Energy: 0.47349949657558266 Energy: 0.5352954435912659 Energy: 0.47349949657606766 Energy: 0.5752719576312928 Energy: 0.4733725615737964 Energy: 0.5752719576308079 Energy: 0.47337256157428137 Energy: 0.5752719576298381 Energy: 0.4733725615737964 Energy: 0.48567091453461353 Energy: 0.559492741801549 Energy: 0.48567091453461353 Energy: 0.5594927418010641 Energy: 0.48567091453461353 Energy: 0.5594927418010641 Energy: 0.5210420688777185 Energy: 0.5358383739556699 Energy: 0.5210420688782035 Energy: 0.5358383739551849 Energy: 0.5210420688782035 Energy: 0.5358383739551849 Energy: 0.5299991219262408 Energy: 0.4845209556460573 Energy: 0.5299991219262408 Energy: 0.4845209556455723 Energy: 0.5735244880773231 Energy: 0.4845209556460573 Energy: 0.4859136305943866 Energy: 0.5378249050282662 Energy: 0.4859136305943866 Energy: 0.5378249050282662 Energy: 0.4859136305948716 Energy: 0.5378249050282662 Energy: 0.47196222975727964 Energy: 0.5808497072479725 Energy: 0.47196222975679475 Energy: 0.5808497072474875 Energy: 0.47196222975727964 Energy: 0.5808497072479725 Energy: 0.5647103104098852 Energy: 0.4823615517775011 Energy: 0.5647103104103701 Energy: 0.48236155177798606 Energy: 0.5647103104098852 Energy: 0.4823615517775011 Energy: 0.5036036238400844 Energy: 0.5233087655895085 Energy: 0.5036036238400844 Energy: 0.5233087655890235 Energy: 0.5036036238405693 Energy: 0.5233087655890235 Energy: 0.5033661506967696 Energy: 0.5729574864584955 Energy: 0.5033661506972544 Energy: 0.5729574864584955 Energy: 0.5033661506962847 Energy: 0.5729574864584955 Energy: 0.5330548636145876 Energy: 0.4824337711301915 Energy: 0.5330548636150726 Energy: 0.4824337711301915 Energy: 0.5330548636155575 Energy: 0.48243377113067637 Energy: 0.520972276031627 Energy: 0.4926770487902671 Energy: 0.520972276031142 Energy: 0.4926770487907521 Energy: 0.5209722760306571 Energy: 0.4926770487907521 Energy: 0.4728951201792898 Energy: 0.5439791846804175 Energy: 0.47289512017880486 Energy: 0.5439791846799327 Energy: 0.47289512017880486 Energy: 0.5439791846804175 Energy: 0.5508218067654976 Energy: 0.4844953197792245 Energy: 0.5508218067650128 Energy: 0.4844953197792245 Energy: 0.5508218067654976 Energy: 0.48449531977970933 Energy: 0.5427155087056542 Energy: 0.48443903233589164 Energy: 0.5427155087051694 Energy: 0.48443903233589164 Energy: 0.5427155087046844 Energy: 0.48443903233589164 minimum gb energy = 0.47196222975679475 eV minimum distance = 2.58531227646902 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 0.4783422809388038 Energy: 0.5636253044828681 Energy: 0.4783422809388038 Energy: 0.5636253044832943 Energy: 0.4783422809383775 Energy: 0.5636253044828681 Energy: 0.5212083718981351 Energy: 0.4905899976572281 Energy: 0.5212083718998402 Energy: 0.4905899976572281 Energy: 0.5212083718994139 Energy: 0.4905899976576544 Energy: 0.56330884857671 Energy: 0.46027487909706627 Energy: 0.56330884857671 Energy: 0.46027487909664 Energy: 0.56330884857671 Energy: 0.46027487909706627 Energy: 0.4507016463914831 Energy: 0.6456097482942745 Energy: 0.45070164639105675 Energy: 0.6456097482942745 Energy: 0.4507016463914831 Energy: 0.6525978723228143 Energy: 0.461092372417764 Energy: 0.523641247828686 Energy: 0.4610923724181903 Energy: 0.523641247828686 Energy: 0.46109237241691153 Energy: 0.523641247828686 Energy: 0.5531193184105966 Energy: 0.4547830930038795 Energy: 0.5531193184110228 Energy: 0.4547830930038795 Energy: 0.5531193184110228 Energy: 0.4547830930038795 Energy: 0.4646668211700865 Energy: 0.5162440359716914 Energy: 0.4646668211688078 Energy: 0.516244035972544 Energy: 0.46466682117051283 Energy: 0.5162440359721177 Energy: 0.45531013454034885 Energy: 0.6472133791804214 Energy: 0.4553101345412014 Energy: 0.6635800275378204 Energy: 0.45531013454034885 Energy: 0.6472133791799951 Energy: 0.5543431236280245 Energy: 0.4555069819647067 Energy: 0.5543431236280245 Energy: 0.4555069819647067 Energy: 0.554343123628877 Energy: 0.4555069819642804 Energy: 0.46094299325463733 Energy: 0.47355126707801964 Energy: 0.46094299325506366 Energy: 0.47355126707801964 Energy: 0.46094299325506366 Energy: 0.47355126707801964 Energy: 0.4494704611649677 Energy: 0.5839995866001269 Energy: 0.44947046116411515 Energy: 0.5839995866005531 Energy: 0.4494704611649677 Energy: 0.5839995866001269 Energy: 0.5300251512657881 Energy: 0.4809168026082028 Energy: 0.5300251512713298 Energy: 0.4859242094066426 Energy: 0.5300251512670671 Energy: 0.4809168026077765 Energy: 0.5387074643512058 Energy: 0.4602601928998695 Energy: 0.538707464351632 Energy: 0.46026019290072206 Energy: 0.5387074643512058 Energy: 0.46026019290072206 Energy: 0.48102622615814045 Energy: 0.5885705745261537 Energy: 0.48102622615856666 Energy: 0.5885705745257274 Energy: 0.48102622615899293 Energy: 0.5885705745261537 Energy: 0.4786233968338322 Energy: 0.5133735560688746 Energy: 0.47862339683425853 Energy: 0.5133735560688746 Energy: 0.4786233968346848 Energy: 0.5133735560688746 Energy: 0.5563033918408596 Energy: 0.4615989533438153 Energy: 0.556303391841286 Energy: 0.4615989533442416 Energy: 0.5563033918400071 Energy: 0.4615989533438153 Energy: 0.44997084928279923 Energy: 0.592292893116895 Energy: 0.44997084928365183 Energy: 0.5922928931173213 Energy: 0.44997084928322556 Energy: 0.5922928931173213 Energy: 0.44968102806398 Energy: 0.5223103918166484 Energy: 0.44968102806483257 Energy: 0.5223103918162221 Energy: 0.4496810280644063 Energy: 0.5223103918166484 Energy: 0.5529114673229709 Energy: 0.45539033450277366 Energy: 0.5529114673233972 Energy: 0.45539033450234745 Energy: 0.5529114673225447 Energy: 0.45539033450234745 Energy: 0.4646156940076446 Energy: 0.4612164886365564 Energy: 0.4646156940080709 Energy: 0.4612164886365564 Energy: 0.4646156940072183 Energy: 0.4612164886365564 Energy: 0.4566977215972915 Energy: 0.5835165813871276 Energy: 0.4566977215981441 Energy: 0.5835165813871276 Energy: 0.4566977215972915 Energy: 0.5835165813867014 Energy: 0.586579195597395 Energy: 0.45464178008850464 Energy: 0.5865791955969686 Energy: 0.4546417800889309 Energy: 0.5865791955965424 Energy: 0.45464178008850464 Energy: 0.5258759040422651 Energy: 0.45461696703273136 Energy: 0.5258759040414125 Energy: 0.4546169670318788 Energy: 0.5258759040435439 Energy: 0.4546169670323051 Energy: 0.45058071123534194 Energy: 0.5469260644775541 Energy: 0.45058071123534194 Energy: 0.5469260644779803 Energy: 0.45058071123576815 Energy: 0.5469260644775541 Energy: 0.5303742353074493 Energy: 0.48131114649340234 Energy: 0.5303742353070231 Energy: 0.48131114649382867 Energy: 0.5303742353074493 Energy: 0.48131114649340234 Energy: 0.5376892153896635 Energy: 0.4616353641520971 Energy: 0.5376892153905161 Energy: 0.4616353641525234 Energy: 0.5376892153909423 Energy: 0.4616353641520971 Energy: 0.47867424381856183 Energy: 0.530337517246589 Energy: 0.47867424381856183 Energy: 0.530337517246589 Energy: 0.4786742438177093 Energy: 0.530337517246589 Energy: 0.47874265489356205 Energy: 0.5251342245680266 Energy: 0.4787426548931357 Energy: 0.5251342245684528 Energy: 0.47874265489356205 Energy: 0.5251342245688793 Energy: 0.5470318877864955 Energy: 0.46012036299472175 Energy: 0.5470318877860691 Energy: 0.46012036299472175 Energy: 0.547031887787348 Energy: 0.46012036299472175 Energy: 0.4499181810195411 Energy: 0.48689348110960906 Energy: 0.44991818102081993 Energy: 0.4868934811100354 Energy: 0.44991818101911485 Energy: 0.4868934811100354 Energy: 0.449875677859448 Energy: 0.5232196339184436 Energy: 0.44987567785987426 Energy: 0.5232196339184436 Energy: 0.44987567785987426 Energy: 0.5232196339192963 Energy: 0.5372574617409281 Energy: 0.4546416992920064 Energy: 0.5372574617400755 Energy: 0.4546416992920064 Energy: 0.5372574617417807 Energy: 0.4546416992920064 Energy: 0.525353691524765 Energy: 0.4547164718199113 Energy: 0.5253536915230599 Energy: 0.4547164718199113 Energy: 0.5253536915239124 Energy: 0.45471647182033764 minimum gb energy = 0.44947046116411515 eV minimum distance = 2.61152845996072 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.011906675557390814 Energy: 0.466445313870211 Energy: 0.01190667555705631 Energy: 0.466445313870211 Energy: 0.011906675557390814 Energy: 0.466445313870211 Energy: 0.012352052587310806 Energy: 0.17415777634194585 Energy: 0.012352052586267937 Energy: 0.1741577763423 Energy: 0.012352052586622118 Energy: 0.1741577763423 Energy: 0.6961793928110087 Energy: 0.17401635079264507 Energy: 0.6961793928116975 Energy: 0.17401635079091354 Energy: 0.6961793928127403 Energy: 0.17401635079333375 Energy: 0.012352052586267937 Energy: 0.1741577763423 Energy: 0.012352052585913757 Energy: 0.17415777634263455 Energy: 0.012352052586956624 Energy: 0.1741577763423 minimum gb energy = 0.01190667555705631 eV minimum distance = 2.84228714630661 Angstroms sigma value = 1