Model name: model_name=EAM_Dynamo_ErcolessiAdams_1994_Al__MO_123629422045_005 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Al Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.032082033157349 cohesive_energy=3.360264254236775 mass=26.981538 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=60.0 Max. denominator: max_denominator=8 Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5 Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.012786834179659073 Energy: 0.23082244607987495 Energy: 0.36914894675953275 Energy: 0.2307238880068334 Energy: 0.012786834179659073 Energy: 0.23082244607987495 Energy: 0.36914894675932697 Energy: 0.2508109362530645 Energy: 0.01314015169040172 Energy: 0.12076648044062842 Energy: 0.013292141896296695 Energy: 0.25081093625064027 Energy: 0.013140151691613804 Energy: 0.12076648043962217 Energy: 0.012786834179864896 Energy: 0.23082244607928032 Energy: 0.3691489467597385 Energy: 0.2307238880068334 Energy: 0.012786834179659073 Energy: 0.2308224460800808 Energy: 0.36914894675932697 Energy: 0.25081093625285866 Energy: 0.013140151689784241 Energy: 0.12076648044062842 Energy: 0.013292141896296695 Energy: 0.2508109362504345 Energy: 0.013140151691407979 Energy: 0.12076648043980512 Energy: 0.012786834179659073 Energy: 0.230822446079692 Energy: 0.36914894675932697 Energy: 0.23072388800724505 Energy: 0.012786834179864896 Energy: 0.23082244607987495 Energy: 0.5036220786082286 Energy: 0.25081093625285866 Energy: 0.01314015169040172 Energy: 0.12076648044062842 Energy: 0.013292141896090867 Energy: 0.25081093625064027 Energy: 0.013140151691407979 Energy: 0.12076648043980512 minimum gb energy = 0.012786834179659073 eV minimum distance = 2.82565703800675 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 0.59030401844151 Energy: 0.5726180120275786 Energy: 0.5946012644132799 Energy: 0.5741293716316973 Energy: 0.5903040184316752 Energy: 0.5726180120349545 Energy: 0.5946012644059039 Energy: 0.5390091794811093 Energy: 0.5633488711664641 Energy: 0.5509414672683313 Energy: 0.5578464129524777 Energy: 0.539009179483568 Energy: 0.5633488711541709 Energy: 0.5509414672634139 Energy: 0.5301521547395395 Energy: 0.5462919078054062 Energy: 0.5669056560244945 Energy: 0.5374659562192993 Energy: 0.5301521547419982 Energy: 0.5462919078029475 Energy: 0.566905656036788 Energy: 0.5717408795075345 Energy: 0.5644083092086679 Energy: 0.5880543797972654 Energy: 0.5464620272976851 Energy: 0.5717408794977445 Energy: 0.5644083092062092 Energy: 0.5880543797948068 Energy: 0.5298364538991834 Energy: 0.5303882737119869 Energy: 0.5319461002173568 Energy: 0.5537270886390643 Energy: 0.5298364538991834 Energy: 0.530388273704611 Energy: 0.5319461002222741 Energy: 0.5400728435373847 Energy: 0.5590823157783786 Energy: 0.5628879844439895 Energy: 0.555822525769738 Energy: 0.5400728435398434 Energy: 0.5590823157611677 Energy: 0.5628879844439895 Energy: 0.5295917395397535 Energy: 0.5501923353705503 Energy: 0.594389962158975 Energy: 0.5873015138177281 Energy: 0.5295917395397535 Energy: 0.5501923353730089 Energy: 0.5943899621540576 Energy: 0.5271035075784111 Energy: 0.5416241783295156 Energy: 0.6011310492668539 Energy: 0.5386275523264564 Energy: 0.5271035075685764 Energy: 0.5416241783295156 Energy: 0.6011310492668539 Energy: 0.5266353760383689 Energy: 0.5445348224295231 Energy: 0.6010071458646558 Energy: 0.5384966061481085 Energy: 0.5266353760457448 Energy: 0.5445348224271092 Energy: 0.6010071458671145 Energy: 0.5314320141485231 Energy: 0.5695733827523456 Energy: 0.5790233405762786 Energy: 0.549167956020553 Energy: 0.5314320141460644 Energy: 0.5695733827523456 Energy: 0.5790233405762786 Energy: 0.535804729798516 Energy: 0.5575234522914064 Energy: 0.5426520117711272 Energy: 0.5595944849243407 Energy: 0.5358047297960573 Energy: 0.5575234522963237 Energy: 0.5426520117686686 Energy: 0.5536494861952527 Energy: 0.5705841607484168 Energy: 0.5490103818938655 Energy: 0.5394083083897272 Energy: 0.5536494861977115 Energy: 0.5705841607508755 Energy: 0.5490103818987829 Energy: 0.5807287523655889 Energy: 0.5598816406086361 Energy: 0.5872573040920631 Energy: 0.5452181955030088 Energy: 0.5807287523705064 Energy: 0.5598816406013049 Energy: 0.5872573040896045 Energy: 0.5320871028341114 Energy: 0.5612157055875097 Energy: 0.5596621648932888 Energy: 0.5401187741648781 Energy: 0.5320871028316528 Energy: 0.5612157055875097 Energy: 0.5596621648932888 Energy: 0.538943564793401 Energy: 0.5359618923363241 Energy: 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0.5452176374261477 Energy: 0.5315668403448359 Energy: 0.5668983698333826 Energy: 0.6018406832310966 Energy: 0.5251772192699261 Energy: 0.5442890608174121 Energy: 0.5881057282058864 Energy: 0.5380416633306762 Energy: 0.5251772192748436 Energy: 0.5442890608223295 Energy: 0.5881057282034275 Energy: 0.5431220108724166 Energy: 0.5406794319331686 Energy: 0.5686247692879138 Energy: 0.5397537726953461 Energy: 0.5431220108699579 Energy: 0.5406794319405446 Energy: 0.5686247692829963 Energy: 0.5563161602391935 Energy: 0.5486922888401599 Energy: 0.5746679542600994 Energy: 0.5451518403460515 Energy: 0.5563161602416522 Energy: 0.5486922888426186 Energy: 0.5746679542600994 Energy: 0.5555612997426472 Energy: 0.5849304774402194 Energy: 0.5572040069971863 Energy: 0.5633179759728887 Energy: 0.5555612997303538 Energy: 0.5849304774402194 Energy: 0.5572040070045624 Energy: 0.5559379186441844 Energy: 0.5392694201035395 Energy: 0.5784562760168774 Energy: 0.5574105865532754 Energy: 0.5559379186441844 Energy: 0.5392694201010807 Energy: 0.5784562760144187 Energy: 0.554960426934237 Energy: 0.5474632371672778 Energy: 0.5636993297236286 Energy: 0.5676871884878857 Energy: 0.554960426934237 Energy: 0.5474632371599017 Energy: 0.5636993297260872 Energy: 0.5762166368647375 Energy: 0.5416813274698586 Energy: 0.5713733498340379 Energy: 0.5533304313065308 Energy: 0.5762166368622789 Energy: 0.5416813274674 Energy: 0.5713733498389553 Energy: 0.557008188035043 Energy: 0.5444986639436669 Energy: 0.5672836205759809 Energy: 0.5518801135864128 Energy: 0.5570081880276669 Energy: 0.5444986639412082 Energy: 0.5672836205735222 Energy: 0.5203484683418487 Energy: 0.5331872473890663 Energy: 0.5801743296042963 Energy: 0.5474095856499672 Energy: 0.5203484683369314 Energy: 0.5331872473841489 Energy: 0.5801743296018373 Energy: 0.5313233112990463 Energy: 0.5558151429195528 Energy: 0.6148163716080912 Energy: 0.5467705881829629 Energy: 0.5313233113064223 Energy: 0.5558151429170941 Energy: 0.6148163716130085 Energy: 0.5266250799373069 Energy: 0.5652843831976526 Energy: 0.5968442962745093 Energy: 0.5368526406203182 Energy: 0.5266250799373069 Energy: 0.5652843831927352 Energy: 0.5968442962745093 minimum gb energy = 0.5203484683369314 eV minimum distance = 2.57225451242168 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 0.562261717116684 Energy: 0.594087472501575 Energy: 0.6152212081976427 Energy: 0.5751458894136802 Energy: 0.5622617171077533 Energy: 0.5940874725032496 Energy: 0.6152212082012961 Energy: 0.532502260891218 Energy: 0.5787941594137644 Energy: 0.5745189104907727 Energy: 0.5648497345192879 Energy: 0.5325022608884777 Energy: 0.5787941594143226 Energy: 0.5745189104938173 Energy: 0.5228571368178988 Energy: 0.5459790334449801 Energy: 0.5697486192098491 Energy: 0.5485860485090239 Energy: 0.5228571368206896 Energy: 0.5459790334488873 Energy: 0.5697486192109654 Energy: 0.5401970251784168 Energy: 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0.555646147195332 Energy: 0.5389983759261076 Energy: 0.5859778649590682 Energy: 0.5627990184831583 Energy: 0.5450516262086511 Energy: 0.5389983759274777 Energy: 0.5859778649660199 Energy: 0.5632485147464129 Energy: 0.5366761796173104 Energy: 0.54813391395299 Energy: 0.5589894569948263 Energy: 0.5244703943779769 Energy: 0.5366761796220801 Energy: 0.5481339139560855 Energy: 0.5589894569981754 Energy: 0.5227142925175233 Energy: 0.5461978447286767 Energy: 0.5728659302306417 Energy: 0.5451504490314355 Energy: 0.5227142925183861 Energy: 0.5461978447334466 Energy: 0.5701171720007009 Energy: 0.5386337182175908 Energy: 0.5704991724738617 Energy: 0.5732180471019097 Energy: 0.5819232065211986 Energy: 0.5386337182151043 Energy: 0.570499172476957 Energy: 0.5703001283149257 Energy: 0.5426601518250423 Energy: 0.5940874725026913 Energy: 0.6103693279743677 Energy: 0.5751458894142383 Energy: 0.5426601518200189 Energy: 0.5940874725026913 Energy: 0.6020078157589083 Energy: 0.5325022608904061 Energy: 0.5787941594123436 Energy: 0.5681090551596437 Energy: 0.5364231257385228 Energy: 0.5325022608898479 Energy: 0.5787941594145762 Energy: 0.56810905516076 minimum gb energy = 0.5102791194119124 eV minimum distance = 2.54391356070539 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 0.5661753075606263 Energy: 0.53509937302578 Energy: 0.627988838578083 Energy: 0.5443374812118857 Energy: 0.5661753075612708 Energy: 0.5350993730241981 Energy: 0.6279888385787274 Energy: 0.5511454721889008 Energy: 0.5510389973466656 Energy: 0.5963811075830501 Energy: 0.5514917545495752 Energy: 0.551145472190512 Energy: 0.551038997346021 Energy: 0.5963811075820834 Energy: 0.550965968805746 Energy: 0.551862365170633 Energy: 0.5707030754239807 Energy: 0.5395381954190972 Energy: 0.5509659688073573 Energy: 0.5518623651712776 Energy: 0.570703075424303 Energy: 0.547420885988514 Energy: 0.5316844794771161 Energy: 0.6202483934800471 Energy: 0.5352338437833621 Energy: 0.5474208859881917 Energy: 0.5316844794774384 Energy: 0.6202483934794026 Energy: 0.5436052090283724 Energy: 0.5387889878613304 Energy: 0.6024210044645456 Energy: 0.5442892441227885 Energy: 0.5436052090309503 Energy: 0.5387889878613304 Energy: 0.6024210044642234 Energy: 0.5418707311021325 Energy: 0.5341166167399899 Energy: 0.5664871911423739 Energy: 0.5491558336127559 Energy: 0.5418707311005212 Energy: 0.5341166167396676 Energy: 0.566487191143663 Energy: 0.5449866727542709 Energy: 0.5926514253439813 Energy: 0.5757323203850836 Energy: 0.5549682751543097 Energy: 0.5449866727533041 Energy: 0.5926514253443035 Energy: 0.5757323203847614 Energy: 0.5546267735063352 Energy: 0.5505069445726507 Energy: 0.6344779043167501 Energy: 0.5336419842836283 Energy: 0.5546267735056907 Energy: 0.5505069445732953 Energy: 0.63447790431738 Energy: 0.5472137595867497 Energy: 0.5285066848240461 Energy: 0.5982646313890636 Energy: 0.5309604387750687 Energy: 0.5472137595861052 Energy: 0.528506684825335 Energy: 0.5982646313887413 Energy: 0.5529793374625708 Energy: 0.5459030514131079 Energy: 0.6008050657748144 Energy: 0.5358644520174185 Energy: 0.5529793374638599 Energy: 0.5459030514124927 Energy: 0.600805065773203 Energy: 0.5754184307512439 Energy: 0.5659727589042054 Energy: 0.5764737482610783 Energy: 0.5364136677212367 Energy: 0.575418430752855 Energy: 0.5659727589029163 Energy: 0.5764737482604337 Energy: 0.5694229643940253 Energy: 0.5485625843293214 Energy: 0.6024046319753894 Energy: 0.5653545742808209 Energy: 0.5694229643937031 Energy: 0.5485625843296436 Energy: 0.6024046319728112 Energy: 0.542586724474769 Energy: 0.557873946080362 Energy: 0.5944655275983931 Energy: 0.5392753085170644 Energy: 0.5425867244757356 Energy: 0.5578739460816511 Energy: 0.5944655275990376 Energy: 0.5506028999576951 Energy: 0.540879270588199 Energy: 0.5936003117698406 Energy: 0.5437283207432959 Energy: 0.5506028999586619 Energy: 0.5408792705904548 Energy: 0.5936003117717741 Energy: 0.5702655582103484 Energy: 0.5346896670881959 Energy: 0.6062471072876653 Energy: 0.5499514759455855 Energy: 0.5702655582100261 Energy: 0.5346896670869068 Energy: 0.6062471072850872 Energy: 0.5644203474572733 Energy: 0.5613300914850001 Energy: 0.6007646254829229 Energy: 0.5529017950481259 Energy: 0.5644203474550175 Energy: 0.5613300914862892 Energy: 0.6007646254835673 Energy: 0.5576412144378186 Energy: 0.5325273512703433 Energy: 0.5798392018061006 Energy: 0.5458038926423258 Energy: 0.5576412144407189 Energy: 0.5325273512684099 Energy: 0.5798392018064229 Energy: 0.5450400015738335 Energy: 0.5365118405735332 Energy: 0.6258977432333537 Energy: 0.5494083337716095 Energy: 0.5450400015741558 Energy: 0.5365118405738555 Energy: 0.6258977432327092 Energy: 0.5447905730578242 Energy: 0.5327752887727061 Energy: 0.5938089326928118 Energy: 0.5425240679127948 Energy: 0.5447905730581465 Energy: 0.5327752887723838 Energy: 0.5938089326947452 Energy: 0.5543360897383671 Energy: 0.5319264280564637 Energy: 0.6173988245835959 Energy: 0.550491772557455 Energy: 0.5543360897383671 Energy: 0.5319264280571083 Energy: 0.6173988245845627 Energy: 0.5423276403545073 Energy: 0.5401630912662296 Energy: 0.6054960014332883 Energy: 0.5633628889549375 Energy: 0.5423276403551519 Energy: 0.5401630912668741 Energy: 0.6054960014339328 Energy: 0.5492306572286478 Energy: 0.5621507441382219 Energy: 0.6004931747368153 Energy: 0.5312083452970914 Energy: 0.5492306572273588 Energy: 0.5621507441378996 Energy: 0.6004931747368153 Energy: 0.5438209065181517 Energy: 0.5376118062996695 Energy: 0.6144852440332321 Energy: 0.536193835842735 Energy: 0.5438209065187963 Energy: 0.5376118063025699 Energy: 0.614485244031943 Energy: 0.543563288593322 Energy: 0.5422292085108199 Energy: 0.6226799926722743 Energy: 0.5406957336399 Energy: 0.5435632885949039 Energy: 0.5422292085092086 Energy: 0.6226799926716297 Energy: 0.5451524397260564 Energy: 0.5337288133194171 Energy: 0.5713374155459998 Energy: 0.5498735519987799 Energy: 0.5451524397267009 Energy: 0.5337288133203838 Energy: 0.5713374155456775 Energy: 0.5759407819458406 Energy: 0.5519686106871102 Energy: 0.5833331688193113 Energy: 0.5550326401775348 Energy: 0.5759407819451962 Energy: 0.551968610686788 Energy: 0.5833331688193113 Energy: 0.5784945246347553 Energy: 0.5425617295676144 Energy: 0.6047431941579167 Energy: 0.5484018656561179 Energy: 0.5784945246347553 Energy: 0.5425617295685811 Energy: 0.6047431941592057 Energy: 0.5579905427354991 Energy: 0.5508667536598846 Energy: 0.5804513437722453 Energy: 0.5453585344340591 Energy: 0.557990542737755 Energy: 0.5508667536592401 Energy: 0.5804513437725675 Energy: 0.5429223798916387 Energy: 0.5481904962589269 Energy: 0.5865958498048082 Energy: 0.5344273950103751 Energy: 0.5429223798913164 Energy: 0.5481904962602159 Energy: 0.5865958498051306 Energy: 0.5436559018907468 Energy: 0.5385525999241333 Energy: 0.6145758734030159 Energy: 0.5503643911088012 Energy: 0.5436559018917135 Energy: 0.5385525999257446 Energy: 0.6145758734046272 Energy: 0.5417033148254327 Energy: 0.535160087478612 Energy: 0.577037023354888 Energy: 0.5374942763116316 Energy: 0.5417033148263994 Energy: 0.5351600874770007 Energy: 0.5918376201432276 Energy: 0.5417154013303145 Energy: 0.5329817663400224 Energy: 0.5780910139780482 Energy: 0.5447898228288398 Energy: 0.5417154013303145 Energy: 0.5329817663397002 Energy: 0.5780910139780482 Energy: 0.5481709480820435 Energy: 0.5391061771521125 Energy: 0.5572672095928757 Energy: 0.5473452538541534 Energy: 0.5481709480820435 Energy: 0.5391061771540462 Energy: 0.597773921403215 Energy: 0.553763059613669 Energy: 0.5501126562387373 Energy: 0.6307669163595737 Energy: 0.5471804151105109 Energy: 0.5537630596123799 Energy: 0.5501126562393818 Energy: 0.630766916361185 Energy: 0.5451640632871424 Energy: 0.5292137912490505 Energy: 0.5984686660813583 Energy: 0.5308764438010987 Energy: 0.5451640632849158 Energy: 0.529213791249695 Energy: 0.5998096947764934 Energy: 0.5539490098168542 Energy: 0.5488134417965509 Energy: 0.6018449810714521 Energy: 0.53609156245299 Energy: 0.5539490098168542 Energy: 0.5488134417988066 Energy: 0.6018449810714521 minimum gb energy = 0.5285066848240461 eV minimum distance = 2.57028198635806 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 0.5314541567158513 Energy: 0.5264178365657974 Energy: 0.5989512084442883 Energy: 0.5264258769230385 Energy: 0.5314541567135693 Energy: 0.5264178365585711 Energy: 0.5989512084454293 Energy: 0.5150236774508808 Energy: 0.534196873040841 Energy: 0.508570413792763 Energy: 0.5344448109760389 Energy: 0.5150236774550645 Energy: 0.5341968730404606 Energy: 0.5085704137931434 Energy: 0.5316875073730705 Energy: 0.5033439099206916 Energy: 0.573205867353501 Energy: 0.5113078705666757 Energy: 0.5316875073753525 Energy: 0.5033439099172686 Energy: 0.5732058673531206 Energy: 0.533874845836067 Energy: 0.5342382290801355 Energy: 0.5093259564725768 Energy: 0.5681512291349955 Energy: 0.5338748458345458 Energy: 0.5342382290774731 Energy: 0.5093259564740983 Energy: 0.5621671431392496 Energy: 0.510806087799141 Energy: 0.5064086598484389 Energy: 0.5113838620569074 Energy: 0.5621671431354464 Energy: 0.5108060877983803 Energy: 0.5064086598537634 Energy: 0.5354945485424235 Energy: 0.5183834203486343 Energy: 0.6126788522002088 Energy: 0.5178360950062891 Energy: 0.5354945485348169 Energy: 0.5183834203509162 Energy: 0.6126788522009695 Energy: 0.5909208861053882 Energy: 0.5693896772382671 Energy: 0.5660531910337561 Energy: 0.5115382574655246 Energy: 0.5909208861076701 Energy: 0.5693896772340834 Energy: 0.5660531910333757 Energy: 0.5362810832764616 Energy: 0.5143119053208578 Energy: 0.6068893200305103 Energy: 0.5142932973340953 Energy: 0.5362810832753205 Energy: 0.5143119053147724 Energy: 0.6068893200233187 Energy: 0.5911535792431278 Energy: 0.5113926673386686 Energy: 0.551692661155711 Energy: 0.5696346540793079 Energy: 0.5911535792454098 Energy: 0.5113926673398096 Energy: 0.5516926611568521 Energy: 0.5354921172657967 Energy: 0.5178548668456281 Energy: 0.6126570690150666 Energy: 0.5183750264067406 Energy: 0.5354921172722623 Energy: 0.5178548668422052 Energy: 0.6126570690124044 Energy: 0.5621100631406614 Energy: 0.5112384734592784 Energy: 0.5894099046858892 Energy: 0.5106384324252436 Energy: 0.5621100631418023 Energy: 0.5112384734585179 Energy: 0.534153691145593 Energy: 0.5352633349770454 Energy: 0.5177545822074583 Energy: 0.5094970234227 Energy: 0.53413513955153 Energy: 0.5352633349759044 Energy: 0.5177545822116418 Energy: 0.509497023427264 Energy: 0.531723085495984 Energy: 0.5114383929459695 Energy: 0.5299099625005671 Energy: 0.5032071400642372 Energy: 0.5317230854982661 Energy: 0.5114383929402645 Energy: 0.5299099624986654 Energy: 0.5150185171606263 Energy: 0.5342990933457314 Energy: 0.5088720960096019 Energy: 0.5341774192163488 Energy: 0.5150185171636691 Energy: 0.5342990933430691 Energy: 0.5088720960107428 Energy: 0.5314541567162316 Energy: 0.5264178365654171 Energy: 0.5977277255208544 Energy: 0.5264258769226583 Energy: 0.5314541567139497 Energy: 0.5264178365600924 Energy: 0.5977277255219955 Energy: 0.5150236774520218 Energy: 0.5341968730427425 Energy: 0.508570413792763 Energy: 0.534444810973757 Energy: 0.5150236774558252 Energy: 0.5341968730419819 Energy: 0.5085704137904811 Energy: 0.5316875073730705 Energy: 0.5033439099229735 Energy: 0.5816645693774702 Energy: 0.5113078705651544 Energy: 0.5316875073757329 Energy: 0.5033439099191703 Energy: 0.5816645693763293 Energy: 0.5338748458353064 Energy: 0.5342382290797552 Energy: 0.5093259564718162 Energy: 0.5681512291372776 Energy: 0.5338748458345458 Energy: 0.5342382290774731 Energy: 0.5093259564725768 Energy: 0.5621671431400103 Energy: 0.5108060878018033 Energy: 0.5495774187256445 Energy: 0.5113838620576681 Energy: 0.5621671431358267 Energy: 0.5108060877987607 Energy: 0.5064086598560454 Energy: 0.5354945485439448 Energy: 0.518383420348254 Energy: 0.6126788521994829 Energy: 0.51783609500743 Energy: 0.5354945485351973 Energy: 0.518383420350536 Energy: 0.6126788522009695 Energy: 0.5909208861053882 Energy: 0.5693896772390277 Energy: 0.5359407096480986 Energy: 0.5115382574662852 Energy: 0.5909208861080505 Energy: 0.5693896772352244 Energy: 0.5338252193503762 Energy: 0.5362810832764616 Energy: 0.5143119053204773 Energy: 0.606889320028989 Energy: 0.5142932973340953 Energy: 0.5362810832749402 Energy: 0.5143119053151528 Energy: 0.6068893200217974 Energy: 0.5911535792435081 Energy: 0.5113926673405704 Energy: 0.5532106786064951 Energy: 0.5696346540781668 Energy: 0.5911535792454098 Energy: 0.5113926673398096 Energy: 0.5238266022837342 Energy: 0.5354921172665573 Energy: 0.5178548668437265 Energy: 0.612657069015447 Energy: 0.5183750264067406 Energy: 0.5354921172734033 Energy: 0.5178548668410642 Energy: 0.612657069013165 Energy: 0.5621100631399008 Energy: 0.5112384734588981 Energy: 0.6294071445474385 Energy: 0.5106384324260043 Energy: 0.5621100631410417 Energy: 0.5112384734573769 Energy: 0.6294071445459172 Energy: 0.5352633349781863 Energy: 0.5177545822074583 Energy: 0.5094970234234606 Energy: 0.5341351395519103 Energy: 0.5352633349774257 Energy: 0.5177545822150649 Energy: 0.5094970234280246 Energy: 0.5317230854963644 Energy: 0.5114383929459695 Energy: 0.5289661934166172 Energy: 0.5032071400634764 Energy: 0.5317230854982661 Energy: 0.5114383929406449 Energy: 0.5289661934113272 Energy: 0.5150185171594853 Energy: 0.5342990933464921 Energy: 0.5088720960084608 Energy: 0.5341774192182503 Energy: 0.5150185171617673 Energy: 0.5342990933423085 Energy: 0.5088720960088412 Energy: 0.5314541567143299 Energy: 0.5264178365657974 Energy: 0.5592529735519672 Energy: 0.5264258769230385 Energy: 0.5314541567147103 Energy: 0.5264178365581909 Energy: 0.5592529735455015 Energy: 0.5150236774508808 Energy: 0.5341968730412212 Energy: 0.5085704137923827 Energy: 0.5344448109752783 Energy: 0.5150236774550645 Energy: 0.5341968730404606 Energy: 0.5085704137931434 minimum gb energy = 0.5032071400634764 eV minimum distance = 2.61450187135293 Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: 0.55203450699852 Energy: 0.5681272300356424 Energy: 0.5631372219431529 Energy: 0.5750314710189617 Energy: 0.5520345069975966 Energy: 0.5681272300351807 Energy: 0.5631372219454404 Energy: 0.541374023533549 Energy: 0.5047160513202117 Energy: 0.555419256274109 Energy: 0.5488508379421942 Energy: 0.5413740235344724 Energy: 0.50471605131975 Energy: 0.555419256274109 Energy: 0.5107884521747299 Energy: 0.5562807160889648 Energy: 0.5325273934138209 Energy: 0.5251146140524899 Energy: 0.5107884521765766 Energy: 0.556280716087118 Energy: 0.5325273934138209 Energy: 0.5309414175314384 Energy: 0.5150501948104472 Energy: 0.5795509817411088 Energy: 0.5208378430211134 Energy: 0.5309414175332852 Energy: 0.5150501948118322 Energy: 0.5795509817401854 Energy: 0.5105319504404598 Energy: 0.5412439403714999 Energy: 0.513536610947446 Energy: 0.5215987585949635 Energy: 0.5105319504381514 Energy: 0.5412439403714999 Energy: 0.513536610948831 Energy: 0.5263419026955243 Energy: 0.5157315057483979 Energy: 0.5306062838921767 Energy: 0.5203992859420351 Energy: 0.5263419026936773 Energy: 0.5157315057483979 Energy: 0.5306062838976963 Energy: 0.5232900287931526 Energy: 0.5368003783181746 Energy: 0.5468232612569348 Energy: 0.5153540641917917 Energy: 0.5232900287945377 Energy: 0.5368003783329282 Energy: 0.5468232612587817 Energy: 0.522887926398124 Energy: 0.5071325466102664 Energy: 0.5314773705738465 Energy: 0.5329918922494248 Energy: 0.522887926398124 Energy: 0.5071325466088813 Energy: 0.5314773705747698 Energy: 0.5233045357482687 Energy: 0.5186767714463301 Energy: 0.5627135402810027 Energy: 0.5248533453768711 Energy: 0.5233045357482687 Energy: 0.5186767714463301 Energy: 0.5627135402810027 Energy: 0.5252434717248884 Energy: 0.5156878066201 Energy: 0.5511342096432783 Energy: 0.5252456016902876 Energy: 0.5252434717248884 Energy: 0.5156878066196384 Energy: 0.5511342096455868 Energy: 0.5423014203998535 Energy: 0.5199807146134562 Energy: 0.5641170376788321 Energy: 0.5149063887862202 Energy: 0.5423014204017003 Energy: 0.5199807146143796 Energy: 0.5641170376783705 Energy: 0.5047067803182006 Energy: 0.5241259289889273 Energy: 0.5353567792828215 Energy: 0.5036423402717772 Energy: 0.5047067803195647 Energy: 0.5241259289903123 Energy: 0.5353567792832833 Energy: 0.5305925698275673 Energy: 0.525311291383978 Energy: 0.5437209217230745 Energy: 0.5182059666470981 Energy: 0.5305925698289524 Energy: 0.5253112913849014 Energy: 0.5437209217226128 Energy: 0.4942919099002073 Energy: 0.5323965359426844 Energy: 0.5401596572999049 Energy: 0.5078949596674284 Energy: 0.494291909900669 Energy: 0.5323965359417611 Energy: 0.5401596573008284 Energy: 0.5466176271936357 Energy: 0.5171123741042221 Energy: 0.5580561838517045 Energy: 0.5501905473273174 Energy: 0.5466176271917889 Energy: 0.5171123741032987 Energy: 0.558056183852628 Energy: 0.5219206216278754 Energy: 0.5384308382958188 Energy: 0.5315058366896553 Energy: 0.5436886966342759 Energy: 0.5219206216297223 Energy: 0.5384308382958188 Energy: 0.531505836690117 Energy: 0.5225143929308801 Energy: 0.5171011936478004 Energy: 0.5770129319114434 Energy: 0.5522059929478265 Energy: 0.5225143929318035 Energy: 0.5171011936487239 Energy: 0.5770129319128287 Energy: 0.49461222237413227 Energy: 0.5223839279599516 Energy: 0.5237781607352302 Energy: 0.5413631738666954 Energy: 0.494612222374594 Energy: 0.5223839279567406 Energy: 0.5237781607366153 Energy: 0.5212448444447958 Energy: 0.5191043097757161 Energy: 0.5709140582130269 Energy: 0.5161748786626011 Energy: 0.5212448444443342 Energy: 0.5191043097775628 Energy: 0.5709140582125651 Energy: 0.4937244690422182 Energy: 0.5270478144286991 Energy: 0.520166651570367 Energy: 0.5321007713256022 Energy: 0.4937244690436033 Energy: 0.5270478144296015 Energy: 0.5201666515694435 Energy: 0.5216214998395501 Energy: 0.5141070638927744 Energy: 0.5429259113376662 Energy: 0.5173119521118277 Energy: 0.5216214998418586 Energy: 0.5141070638927744 Energy: 0.5429259113385896 Energy: 0.49466199425463897 Energy: 0.5334438693687725 Energy: 0.5250015195132514 Energy: 0.5195550614689184 Energy: 0.4946619942541773 Energy: 0.5334438693673873 Energy: 0.525001519512328 Energy: 0.546543826260881 Energy: 0.5132518967416151 Energy: 0.5473074691296355 Energy: 0.5333010914166436 Energy: 0.5465438262604193 Energy: 0.5132518967434618 Energy: 0.5473074691296355 Energy: 0.49470006938111555 Energy: 0.5337573955263467 Energy: 0.5511355778326953 Energy: 0.5381479717867066 Energy: 0.494700069382039 Energy: 0.5337573955272701 Energy: 0.5511355778317718 Energy: 0.5508977909119458 Energy: 0.5132304078262082 Energy: 0.5550694338559787 Energy: 0.5439561089746171 Energy: 0.5508977909096373 Energy: 0.5132304078248441 Energy: 0.5550694338559787 minimum gb energy = 0.4937244690422182 eV minimum distance = 2.57287219357278 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 0.5710396749943599 Energy: 0.5721176365153794 Energy: 0.5822332699692396 Energy: 0.5721204902968741 Energy: 0.5710396749948753 Energy: 0.5721176365244214 Energy: 0.582233269972847 Energy: 0.5667463571499046 Energy: 0.5377570902108136 Energy: 0.596404265299462 Energy: 0.5379413445269563 Energy: 0.5667463571396444 Energy: 0.5377570902017715 Energy: 0.5964042652971195 Energy: 0.5714567474239958 Energy: 0.5461493214955444 Energy: 0.5507762969459836 Energy: 0.5387203080790783 Energy: 0.5714567474188422 Energy: 0.5461493214914216 Energy: 0.5507762969578367 Energy: 0.5103825285064223 Energy: 0.5508196417271309 Energy: 0.6242386629681937 Energy: 0.5360030764091286 Energy: 0.5103825285077341 Energy: 0.5508196417206656 Energy: 0.6242386629697398 Energy: 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0.6144408551444639 Energy: 0.5323636690665823 Energy: 0.512337921502157 Energy: 0.5732993841831522 Energy: 0.5516525186513801 Energy: 0.5323636690493414 Energy: 0.5123379215029534 Energy: 0.5732993841862444 Energy: 0.5069059060206726 Energy: 0.5053565897596421 Energy: 0.6160262123900978 Energy: 0.5093254088040172 Energy: 0.5069059060139731 Energy: 0.5053565897416048 Energy: 0.6160262123906131 Energy: 0.5312480449540881 Energy: 0.507046924874666 Energy: 0.5772599082035705 Energy: 0.5444203022032589 Energy: 0.5312480449523077 Energy: 0.5070469248674511 Energy: 0.5772599082061473 Energy: 0.5312238574000999 Energy: 0.520498887108775 Energy: 0.6076903699109082 Energy: 0.5067229161640111 Energy: 0.5312238573995846 Energy: 0.5204988870995455 Energy: 0.60769036990627 Energy: 0.5322405204054116 Energy: 0.5370626598230072 Energy: 0.5851957555961718 Energy: 0.5553936245816488 Energy: 0.5322405204082694 Energy: 0.5370626598340639 Energy: 0.5851957555907371 Energy: 0.5269424522374377 Energy: 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0.5077161495274478 Energy: 0.567560804860335 Energy: 0.5088041307327709 Energy: 0.5004325418518916 Energy: 0.5596755059048193 Energy: 0.5537978739984506 Energy: 0.5088041307366126 Energy: 0.5004325418513763 Energy: 0.559675505903039 Energy: 0.5186517659272528 Energy: 0.5060966723734336 Energy: 0.5671663648398145 Energy: 0.5087484049530431 Energy: 0.5186517659146033 Energy: 0.5060966723829909 Energy: 0.5671663648205122 Energy: 0.5087314354285664 Energy: 0.5303495302465915 Energy: 0.5984733565791804 Energy: 0.5495282899997704 Energy: 0.5087314354285664 Energy: 0.5303495302491683 Energy: 0.5984733565835844 Energy: 0.5188195993947636 Energy: 0.5333343140943234 Energy: 0.5816584125268742 Energy: 0.5332627685575305 Energy: 0.518819599383988 Energy: 0.5333343140723975 Energy: 0.5816584125232668 Energy: 0.5614019659370094 Energy: 0.5344023535028442 Energy: 0.6162407282729195 Energy: 0.5494729771239081 Energy: 0.5614019659455362 Energy: 0.5344023535059361 Energy: 0.6162407282690309 Energy: 0.5186734990336616 Energy: 0.531133206559473 Energy: 0.6196686093179764 Energy: 0.5566003038923003 Energy: 0.518673499044765 Energy: 0.5311332065702487 Energy: 0.6196686093130571 Energy: 0.5468088706123806 Energy: 0.5344068674970147 Energy: 0.6393857814365594 Energy: 0.5558922343488262 Energy: 0.5468088706187991 Energy: 0.5344068675039485 Energy: 0.6393857814370748 Energy: 0.5271612917368999 Energy: 0.5197456299571797 Energy: 0.61432910878396 Energy: 0.5363906927351745 Energy: 0.5271612917413038 Energy: 0.5197456299618178 Energy: 0.614329108785506 Energy: 0.5027509890296988 Energy: 0.5332024874928848 Energy: 0.6107247728281617 Energy: 0.5577451339785654 Energy: 0.502750989031526 Energy: 0.5332024874970076 Energy: 0.6107247728165428 minimum gb energy = 0.49550431770359266 eV minimum distance = 2.55352217108309 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 0.48663284111306515 Energy: 0.4872184235914174 Energy: 0.5728107204929768 Energy: 0.48721842359316037 Energy: 0.4866328411072554 Energy: 0.4872184235937413 Energy: 0.5728107208309393 Energy: 0.486632841113646 Energy: 0.48721842359083645 Energy: 0.5972015105531625 Energy: 0.4872184235902555 Energy: 0.486632841113646 Energy: 0.48721842359257933 Energy: 0.597201510139701 Energy: 0.48663284111306515 Energy: 0.48721842359316037 Energy: 0.5737953629489563 Energy: 0.4872184235914174 Energy: 0.486632841113646 Energy: 0.4872184235914174 Energy: 0.5737953616144821 Energy: 0.4866328411148079 Energy: 0.48721842359083645 Energy: 0.5665872469577564 Energy: 0.48721842359316037 Energy: 0.48663284110667443 Energy: 0.4872184235937413 Energy: 0.5665872466859708 Energy: 0.48663284111190314 Energy: 0.48721842359083645 Energy: 0.6046138054044926 Energy: 0.48721842359083645 Energy: 0.48663284111306515 Energy: 0.4872184235919984 Energy: 0.6046138048191448 Energy: 0.486632841113646 Energy: 0.48721842359316037 Energy: 0.6947370859227241 Energy: 0.4872184235919984 Energy: 0.48663284111306515 Energy: 0.4872184235902555 Energy: 0.6947370859215622 Energy: 0.486632841113646 Energy: 0.4872184235914174 Energy: 0.5811799294587044 Energy: 0.48721842359316037 Energy: 0.4866328411072554 Energy: 0.48721842359316037 Energy: 0.5811799259581852 Energy: 0.48663284111190314 Energy: 0.48721842359083645 Energy: 0.5657712124528307 Energy: 0.4872184235902555 Energy: 0.486632841113646 Energy: 0.4872184235919984 Energy: 0.5657712012597146 Energy: 0.48663284111306515 Energy: 0.48721842359316037 Energy: 0.5677456846054916 Energy: 0.48721842359257933 Energy: 0.486632841113646 Energy: 0.4872184235914174 Energy: 0.5677456568181168 Energy: 0.4866328411124841 Energy: 0.48721842359083645 Energy: 0.4638479430318555 Energy: 0.48721842359316037 Energy: 0.4866328411072554 Energy: 0.4872184235937413 Energy: 0.46384797223092 Energy: 0.4866328411113222 Energy: 0.4872184235902555 Energy: 0.6001698033440307 Energy: 0.48721842359083645 Energy: 0.486632841113646 Energy: 0.48721842359257933 Energy: 0.6001698033434497 Energy: 0.486632841113646 Energy: 0.48721842359257933 Energy: 0.6295723520337001 Energy: 0.4872184235919984 Energy: 0.48663284111306515 Energy: 0.48721842359083645 Energy: 0.629572352036024 Energy: 0.4866328411124841 Energy: 0.4872184235914174 Energy: 0.6295723520348621 Energy: 0.48721842359257933 Energy: 0.4866328411072554 Energy: 0.4872184235937413 Energy: 0.6295723520342812 Energy: 0.486632841113646 Energy: 0.48721842359083645 Energy: 0.6295723520348621 Energy: 0.48721842359083645 Energy: 0.48663284111306515 Energy: 0.48721842359257933 Energy: 0.6295723520337001 Energy: 0.486632841113646 Energy: 0.48721842359316037 Energy: 0.6295723520325381 Energy: 0.4872184235919984 Energy: 0.48663284111306515 Energy: 0.48721842359083645 Energy: 0.629572352035443 Energy: 0.48663284111306515 Energy: 0.48721842359083645 Energy: 0.6295723520342812 Energy: 0.4872184235937413 Energy: 0.48663284110667443 Energy: 0.48721842359257933 Energy: 0.6295723520331191 Energy: 0.48663284111074123 Energy: 0.48721842359083645 Energy: 0.6295723520342812 Energy: 0.48721842359083645 Energy: 0.48663284111190314 Energy: 0.48721842359257933 Energy: 0.6295723520337001 Energy: 0.486632841114227 Energy: 0.48721842359257933 Energy: 0.6295723520319572 Energy: 0.4872184235919984 Energy: 0.486632841114227 Energy: 0.4872184235902555 Energy: 0.6295723520337001 Energy: 0.4866328411148079 Energy: 0.4872184235919984 Energy: 0.6295723520342812 Energy: 0.48721842359316037 Energy: 0.48663284110667443 Energy: 0.4872184235937413 Energy: 0.6295723520331191 Energy: 0.486632841113646 Energy: 0.4872184235902555 Energy: 0.6295723520348621 Energy: 0.4872184235902555 Energy: 0.48663284111306515 Energy: 0.4872184235919984 Energy: 0.6295723520337001 minimum gb energy = 0.4638479430318555 eV minimum distance = 2.6440331080682 Angstroms sigma value = 23