Model name: model_name=EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000 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=4.050000405311585 cohesive_energy=3.360264299713212 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: 0.010354796067968875 Energy: 0.41926965665413823 Energy: 0.010354796068218732 Energy: 0.41926965665391613 Energy: 0.010354796068218732 Energy: 0.41926965665391613 Energy: 0.41926965665413823 Energy: 0.7721679942785372 Energy: 0.4192696566536663 Energy: 0.7721679942763441 Energy: 0.41926965665391613 Energy: 0.7721679942773158 Energy: 0.010354796067968875 Energy: 0.41926965665391613 Energy: 0.010354796068218732 Energy: 0.4192696566536663 Energy: 0.010354796068218732 Energy: 0.41926965665391613 Energy: 0.4192696566543881 Energy: 0.7721679942787871 Energy: 0.4192696566536663 Energy: 0.7721679942787871 Energy: 0.41926965665391613 Energy: 0.7721679942790372 Energy: 0.010354796068218732 Energy: 0.41926965665413823 Energy: 0.010354796068218732 Energy: 0.41926965665391613 Energy: 0.010354796068218732 Energy: 0.41926965665391613 Energy: 0.41926965665391613 Energy: 0.7721679942760941 Energy: 0.41926965665341637 Energy: 0.7721679942744009 Energy: 0.41926965665391613 Energy: 0.7721679942768439 minimum gb energy = 0.010354796067968875 eV minimum distance = 2.83989267059847 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 0.6010912855810513 Energy: 0.581602186053552 Energy: 0.6010912855822541 Energy: 0.581602186053552 Energy: 0.6010912855816528 Energy: 0.5816021860541535 Energy: 0.6124511735287823 Energy: 0.5455202807577461 Energy: 0.6124511735287823 Energy: 0.5455202807577461 Energy: 0.6124511735287823 Energy: 0.5455202807577461 Energy: 0.5601859206021568 Energy: 0.5943694125419052 Energy: 0.5601859206045626 Energy: 0.5943694125425066 Energy: 0.5601859206057656 Energy: 0.5943694125425066 Energy: 0.6354976560171604 Energy: 0.5508616033018373 Energy: 0.6354976560165588 Energy: 0.5508616033018373 Energy: 0.6354976560171604 Energy: 0.5508616033018373 Energy: 0.5693703560907976 Energy: 0.6235621507542194 Energy: 0.5693703560913989 Energy: 0.6235621507542194 Energy: 0.5693703560907976 Energy: 0.6235621507542194 Energy: 0.6092225002629299 Energy: 0.5597362271936219 Energy: 0.6092225002629299 Energy: 0.5597362271936219 Energy: 0.6092225002623285 Energy: 0.5597362271936219 Energy: 0.5759259970939015 Energy: 0.5987298698681637 Energy: 0.5759259970939015 Energy: 0.5987298698681637 Energy: 0.5759259970933001 Energy: 0.5987298698681637 Energy: 0.5626962575775434 Energy: 0.6279389739039472 Energy: 0.5626962575775434 Energy: 0.6279389739039472 Energy: 0.562696257576942 Energy: 0.6279389739039472 Energy: 0.6319476297795724 Energy: 0.5993795503790944 Energy: 0.6319476297795724 Energy: 0.5993795503790944 Energy: 0.6319476297795724 Energy: 0.5993795503790944 Energy: 0.5457691108819852 Energy: 0.6227191628218552 Energy: 0.5457691108831881 Energy: 0.6227191628218552 Energy: 0.5457691108831881 Energy: 0.6227191628212538 Energy: 0.642758076563141 Energy: 0.5310833973045764 Energy: 0.6427580765619382 Energy: 0.5310833973045764 Energy: 0.6427580765625396 Energy: 0.5310833973045764 Energy: 0.5283458524759774 Energy: 0.6700059124245653 Energy: 0.5283458524759774 Energy: 0.6700059124245653 Energy: 0.528345852475376 Energy: 0.6700059124251666 Energy: 0.6439172844140251 Energy: 0.5368769233719407 Energy: 0.6439172844134237 Energy: 0.5368769233719407 Energy: 0.6439172844134237 Energy: 0.5368769233719407 Energy: 0.5522247890615805 Energy: 0.5873236788932328 Energy: 0.5522247890615805 Energy: 0.5873236788932328 Energy: 0.5522247890615805 Energy: 0.5873236788932328 Energy: 0.6488347982923662 Energy: 0.5410897263568768 Energy: 0.6488347982917648 Energy: 0.5410897263568768 Energy: 0.6488347982929676 Energy: 0.5410897263562754 Energy: 0.6503879579608083 Energy: 0.596763391692179 Energy: 0.6503879579596054 Energy: 0.596763391692179 Energy: 0.6503879579596054 Energy: 0.596763391692179 Energy: 0.5942411386415559 Energy: 0.5932804634660764 Energy: 0.5942411386415559 Energy: 0.5932804634660764 Energy: 0.5942411386415559 Energy: 0.5932804634660764 Energy: 0.5947722051406547 Energy: 0.5677423463575684 Energy: 0.5947722051406547 Energy: 0.5677423463581698 Energy: 0.5947722051412561 Energy: 0.5677423463575684 Energy: 0.5290595335250577 Energy: 0.5550201257094545 Energy: 0.5290595335250577 Energy: 0.5550201257100559 Energy: 0.5290595335250577 Energy: 0.5550201257094545 Energy: 0.6031862939478588 Energy: 0.5600664177575517 Energy: 0.6031862939484329 Energy: 0.5600664177575517 Energy: 0.6031862939484329 Energy: 0.5600664177575517 Energy: 0.5445720871748191 Energy: 0.6697501404351364 Energy: 0.5445720871736163 Energy: 0.6697501404369407 Energy: 0.5445720871754206 Energy: 0.6697501404351364 Energy: 0.5913947173954012 Energy: 0.5799824003109746 Energy: 0.5913947173954012 Energy: 0.5799824003109746 Energy: 0.5913947173954012 Energy: 0.5799824003109746 Energy: 0.5467261078050628 Energy: 0.6113225774008899 Energy: 0.5467261078056641 Energy: 0.6113225774002886 Energy: 0.5467261078050628 Energy: 0.6113225774002886 minimum gb energy = 0.528345852475376 eV minimum distance = 2.69882351237421 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 0.5910609624241666 Energy: 0.6239789851074138 Energy: 0.5519242452451756 Energy: 0.6239789851067296 Energy: 0.5910609624238246 Energy: 0.62397898510844 Energy: 0.626773082103573 Energy: 0.5711297152414476 Energy: 0.626773082068026 Energy: 0.5711297152414476 Energy: 0.6267730819992957 Energy: 0.5711297152400794 Energy: 0.5544888682472873 Energy: 0.572443344577596 Energy: 0.5544888682503661 Energy: 0.5724433445782802 Energy: 0.5544888682472873 Energy: 0.5724433445786223 Energy: 0.6824322983945003 Energy: 0.5963910044503344 Energy: 0.6824322983955265 Energy: 0.5963910044503344 Energy: 0.6824322983948424 Energy: 0.5963910044510186 Energy: 0.6246811809763376 Energy: 0.58905627449433 Energy: 0.6246811809749692 Energy: 0.589056274494672 Energy: 0.6246811809763376 Energy: 0.5890562744939879 Energy: 0.6021433256492199 Energy: 0.5569964648973763 Energy: 0.6021433256499041 Energy: 0.5569964648970342 Energy: 0.6021433256505884 Energy: 0.5569964648973763 Energy: 0.6646624763328904 Energy: 0.6046533870637761 Energy: 0.6646624763291274 Energy: 0.6046533870641182 Energy: 0.6646624763328904 Energy: 0.6046533870641182 Energy: 0.5439924214540325 Energy: 0.6306889497623579 Energy: 0.5439924214509536 Energy: 0.6306889497627 Energy: 0.5439924214540325 Energy: 0.6306889497613317 Energy: 0.5652921100943279 Energy: 0.5625947931559727 Energy: 0.5652921100936438 Energy: 0.5625947931556307 Energy: 0.5652921100946702 Energy: 0.5625947931559727 Energy: 0.5549064217926156 Energy: 0.6628672778248473 Energy: 0.5534568959928851 Energy: 0.6628672778258736 Energy: 0.5549064217929578 Energy: 0.6628672778255315 Energy: 0.6518593996324806 Energy: 0.5486253914128514 Energy: 0.6518593996352174 Energy: 0.5486253914128514 Energy: 0.6518593996324806 Energy: 0.5486253914128514 Energy: 0.5613016337155362 Energy: 0.6084489320462454 Energy: 0.5614479754747261 Energy: 0.6084489320465875 Energy: 0.5613016337155362 Energy: 0.6084489320465875 Energy: 0.6038743702561843 Energy: 0.5591184380573103 Energy: 0.664189240697235 Energy: 0.5591184380576524 Energy: 0.6038743702565265 Energy: 0.5591184380579944 Energy: 0.6032358277207079 Energy: 0.6261726926185962 Energy: 0.6302408210992095 Energy: 0.626172692617228 Energy: 0.6032358277207079 Energy: 0.6261726926203067 Energy: 0.6126459190467254 Energy: 0.571669823099009 Energy: 0.6126459190480937 Energy: 0.5716698230993511 Energy: 0.6126459190467254 Energy: 0.571669823098667 Energy: 0.5540443426507338 Energy: 0.5734977955472109 Energy: 0.5540443426517601 Energy: 0.5734977955472109 Energy: 0.5540443426534706 Energy: 0.5734977955482371 Energy: 0.6856461936333458 Energy: 0.6173823114281797 Energy: 0.685646193633688 Energy: 0.6173823114281797 Energy: 0.6856461936333458 Energy: 0.6173823114271534 Energy: 0.6269264810574448 Energy: 0.5775780888322996 Energy: 0.6269264810564185 Energy: 0.5775780888322996 Energy: 0.6269264810574448 Energy: 0.5775780888319574 Energy: 0.6023162627188373 Energy: 0.5946570289086338 Energy: 0.6023162627154163 Energy: 0.5946570289086338 Energy: 0.6023162627184951 Energy: 0.5946570289082918 Energy: 0.6246667342408493 Energy: 0.5538050124549527 Energy: 0.6246667342418756 Energy: 0.5538050124549527 Energy: 0.6246667342408493 Energy: 0.5538050124539265 Energy: 0.5427380146134726 Energy: 0.6298108810137042 Energy: 0.5427380146148411 Energy: 0.629810881013362 Energy: 0.5427380146134726 Energy: 0.6298108810147304 Energy: 0.6030004611054888 Energy: 0.5622446070070881 Energy: 0.6030004611044625 Energy: 0.5622446070070881 Energy: 0.6030004611048045 Energy: 0.5622446070064038 Energy: 0.5458670909541107 Energy: 0.7493947557027012 Energy: 0.5459043989972677 Energy: 0.7493947557027012 Energy: 0.5458670909537686 Energy: 0.7493947557033854 Energy: 0.6399612883130508 Energy: 0.6256863868668979 Energy: 0.639961288310314 Energy: 0.6256863868668979 Energy: 0.6399612883127087 Energy: 0.6256863868679242 Energy: 0.5542935754341112 Energy: 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0.6247109073491279 Energy: 0.5623858416038537 Energy: 0.6247109073470754 Energy: 0.5623858416028275 Energy: 0.569731348374556 Energy: 0.6036478265644295 Energy: 0.5697313483721613 Energy: 0.6036478265634033 Energy: 0.5697313483738717 Energy: 0.6036478265644295 Energy: 0.6254866279042317 Energy: 0.5537614655568328 Energy: 0.6254866279097052 Energy: 0.5537614655568328 Energy: 0.6254866279049158 Energy: 0.5537614655554645 Energy: 0.5692236881509958 Energy: 0.6152972529826133 Energy: 0.5692236881506536 Energy: 0.6152972529802186 Energy: 0.5692236881509958 Energy: 0.6152972529809028 Energy: 0.5754190264530759 Energy: 0.555838508009416 Energy: 0.5754190264520497 Energy: 0.555838508009416 Energy: 0.5754190264530759 Energy: 0.5558385080097582 Energy: 0.5975874821272539 Energy: 0.6836009496513433 Energy: 0.5975874821258854 Energy: 0.6836009496513433 Energy: 0.5975874821275959 Energy: 0.6836009496503169 Energy: 0.5736143566801132 Energy: 0.6244878465607732 Energy: 0.5741602532150181 Energy: 0.6244878465607732 Energy: 0.5736143566794291 Energy: 0.6244878465604311 Energy: 0.5924097984687245 Energy: 0.6046600304656273 Energy: 0.5848510452334716 Energy: 0.6046600304656273 Energy: 0.5924097984690668 Energy: 0.6046600304659694 Energy: 0.6033059297606588 Energy: 0.6226731875429081 Energy: 0.6638024030769364 Energy: 0.6226731875418818 Energy: 0.6033059297647639 Energy: 0.6226731875418818 Energy: 0.6333516054723868 Energy: 0.5443322531740538 Energy: 0.6333516054706764 Energy: 0.5443322531737117 Energy: 0.6333516054723868 Energy: 0.5443322531733695 Energy: 0.5613225212059553 Energy: 0.567026442709964 Energy: 0.5613225212073237 Energy: 0.5670264427106482 Energy: 0.5613225212062973 Energy: 0.5670264427103061 minimum gb energy = 0.5427380146134726 eV minimum distance = 2.70307312936314 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 0.6126083263067865 Energy: 0.5985452637911763 Energy: 0.6126083263067865 Energy: 0.5985452637911763 Energy: 0.6126083263067865 Energy: 0.5985452637911763 Energy: 0.6524508021642557 Energy: 0.5406819452715498 Energy: 0.6524508021642557 Energy: 0.5406819452715498 Energy: 0.6524508021642557 Energy: 0.5406819452715498 Energy: 0.5422197299237848 Energy: 0.6972175986875264 Energy: 0.5422197299237848 Energy: 0.6972175986875264 Energy: 0.5422197299245773 Energy: 0.6972175986883191 Energy: 0.5614755038460358 Energy: 0.51602835610914 Energy: 0.5614755038460358 Energy: 0.51602835610914 Energy: 0.5614755038452431 Energy: 0.51602835610914 Energy: 0.5989693229614166 Energy: 0.5757355995680257 Energy: 0.5989693229614166 Energy: 0.5757355995680257 Energy: 0.5989693229606239 Energy: 0.5757355995664405 Energy: 0.619635546990846 Energy: 0.5763923475640687 Energy: 0.619635546990846 Energy: 0.5763923475648614 Energy: 0.619635546990846 Energy: 0.5763923475656539 Energy: 0.6085490274228715 Energy: 0.5618691594012875 Energy: 0.6085490274228715 Energy: 0.5618691594012875 Energy: 0.6085490274228715 Energy: 0.5618691594012875 Energy: 0.5525013960286672 Energy: 0.5754198466345087 Energy: 0.5525013960286672 Energy: 0.5754198466297529 Energy: 0.5525013960286672 Energy: 0.5754198466360938 Energy: 0.6537431489424813 Energy: 0.5144786156003408 Energy: 0.6537431489432739 Energy: 0.5144786156011335 Energy: 0.6537431489432739 Energy: 0.5144786156011335 Energy: 0.5355897021691078 Energy: 0.6606622043956178 Energy: 0.5355897021699005 Energy: 0.6606622043948253 Energy: 0.5355897021699005 Energy: 0.6606622043948253 Energy: 0.6318805646162365 Energy: 0.5429069103318636 Energy: 0.6318805646162365 Energy: 0.542906910331071 Energy: 0.6318805646170292 Energy: 0.5429069103318636 Energy: 0.5959758356697832 Energy: 0.6002474039356055 Energy: 0.5959758356697832 Energy: 0.6002474039356055 Energy: 0.5959758356697832 Energy: 0.6002474039356055 Energy: 0.6511091240253019 Energy: 0.5387923480285385 Energy: 0.6511091240253019 Energy: 0.5387923480285385 Energy: 0.6511091240253019 Energy: 0.5387923480285385 Energy: 0.5524496880835625 Energy: 0.5949310770004121 Energy: 0.5524496880843552 Energy: 0.5949310770012046 Energy: 0.5524496880843552 Energy: 0.5949310770012046 Energy: 0.5816461611013132 Energy: 0.568325116649281 Energy: 0.5816461611013132 Energy: 0.5683251166484883 Energy: 0.5816461611013132 Energy: 0.568325116649281 Energy: 0.5973861720354361 Energy: 0.5593337585912508 Energy: 0.5973861720354361 Energy: 0.5593337585912508 Energy: 0.5973861720354361 Energy: 0.5593337585912508 Energy: 0.6180562804320867 Energy: 0.630895875601891 Energy: 0.6180562804312941 Energy: 0.6308958756026837 Energy: 0.6180562804320867 Energy: 0.630895875601891 Energy: 0.5669320933938263 Energy: 0.559227322644563 Energy: 0.566932093394619 Energy: 0.559227322644563 Energy: 0.5669320933930517 Energy: 0.559227322644563 minimum gb energy = 0.5144786156003408 eV minimum distance = 2.62093588268875 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 0.5262930826570474 Energy: 0.4766841310236634 Energy: 0.5262930826570474 Energy: 0.4766841310246037 Energy: 0.5262930826570474 Energy: 0.4766841310236634 Energy: 0.5863289045090347 Energy: 0.6035389436554315 Energy: 0.586328904509505 Energy: 0.6035389436554315 Energy: 0.586328904509505 Energy: 0.6035389436554315 Energy: 0.4503456900485356 Energy: 0.5903616126181139 Energy: 0.4503456900485356 Energy: 0.5903616126143527 Energy: 0.4503456900475953 Energy: 0.5903616126129422 Energy: 0.5150584112732083 Energy: 0.450415767059176 Energy: 0.5150584112741486 Energy: 0.45041576705729536 Energy: 0.5150584112736784 Energy: 0.45041576705729536 Energy: 0.49427105498324864 Energy: 0.5040754147213005 Energy: 0.4942710549846591 Energy: 0.5040754147198899 Energy: 0.49427105498183815 Energy: 0.5040754147208302 Energy: 0.494235195712007 Energy: 0.504204091612937 Energy: 0.49423519571247726 Energy: 0.5042040916119966 Energy: 0.49423519571999985 Energy: 0.5042040916115265 Energy: 0.5151101735761848 Energy: 0.4504151840482086 Energy: 0.5151101735771252 Energy: 0.45041518404679814 Energy: 0.5151101735790059 Energy: 0.4504151840482086 Energy: 0.4503451691787306 Energy: 0.5901924634604607 Energy: 0.45034516917684986 Energy: 0.5901924634595205 Energy: 0.45034516917684986 Energy: 0.590192463460931 Energy: 0.5862692534615799 Energy: 0.6045020046161768 Energy: 0.5862692534611096 Energy: 0.6045020046157066 Energy: 0.5862692534625201 Energy: 0.6045020046152364 Energy: 0.5262930826570474 Energy: 0.4766841310231932 Energy: 0.5262930826565771 Energy: 0.4766841310246037 Energy: 0.5262930826575176 Energy: 0.4766841310246037 Energy: 0.5863289045099752 Energy: 0.6035389436554315 Energy: 0.5863289045090347 Energy: 0.6035389436554315 Energy: 0.5863289045080945 Energy: 0.6035389436554315 Energy: 0.4503456900475953 Energy: 0.59036161260683 Energy: 0.4503456900485356 Energy: 0.5903616126073001 Energy: 0.450345690046655 Energy: 0.5903616126129422 Energy: 0.5150584112717977 Energy: 0.45041576705776554 Energy: 0.5150584112717977 Energy: 0.4504157670544744 Energy: 0.5150584112732083 Energy: 0.45041576705729536 Energy: 0.4942710549837188 Energy: 0.5040754147203601 Energy: 0.4942710549823083 Energy: 0.5040754147184794 Energy: 0.494271054981368 Energy: 0.5040754147198899 Energy: 0.49423519571670876 Energy: 0.504204091612937 Energy: 0.49423519571905955 Energy: 0.5042040916115265 Energy: 0.4942351957138877 Energy: 0.5042040916115265 Energy: 0.5151101735761848 Energy: 0.4504151840482086 Energy: 0.5151101735757146 Energy: 0.45041518404961917 Energy: 0.5151101735761848 Energy: 0.45041518405008923 Energy: 0.4503451691754394 Energy: 0.5901924634614011 Energy: 0.45034516917732004 Energy: 0.5901924634623414 Energy: 0.45034516917637973 Energy: 0.590192463464222 Energy: 0.586269253464871 Energy: 0.6045020046161768 Energy: 0.5862692534611096 Energy: 0.6045020046161768 Energy: 0.5862692534644008 Energy: 0.6045020046157066 Energy: 0.5262930826570474 Energy: 0.4766841310236634 Energy: 0.5262930826570474 Energy: 0.47668413102413354 Energy: 0.5262930826570474 Energy: 0.47668413102413354 Energy: 0.5863289045076243 Energy: 0.6035389436554315 Energy: 0.5863289045090347 Energy: 0.6035389436559018 Energy: 0.5863289045085646 Energy: 0.6035389436554315 Energy: 0.450345690046655 Energy: 0.5903616126049493 Energy: 0.4503456900461848 Energy: 0.590361612612472 Energy: 0.4503456900485356 Energy: 0.5903616126120017 Energy: 0.5150584112741486 Energy: 0.45041576705729536 Energy: 0.5150584112713276 Energy: 0.450415767056355 Energy: 0.5150584112722678 Energy: 0.4504157670582357 Energy: 0.4942710549860696 Energy: 0.5040754147208302 Energy: 0.4942710549823083 Energy: 0.5040754147194197 Energy: 0.49427105498183815 Energy: 0.5040754147208302 Energy: 0.49423519571858937 Energy: 0.5042040916148177 Energy: 0.49423519571764907 Energy: 0.5042040916148177 Energy: 0.4942351957195298 Energy: 0.5042040916152878 Energy: 0.515110173573834 Energy: 0.4504151840472683 Energy: 0.515110173573834 Energy: 0.45041518404867886 Energy: 0.5151101735761848 Energy: 0.4504151840482086 Energy: 0.45034516917590955 Energy: 0.5901924634604607 Energy: 0.4503451691792008 Energy: 0.590192463460931 Energy: 0.45034516917590955 Energy: 0.5901924634604607 Energy: 0.58626925346205 Energy: 0.6045020046166469 Energy: 0.5862692534658114 Energy: 0.6045020046161768 Energy: 0.5862692534615799 Energy: 0.6045020046161768 Energy: 0.5262930826570474 Energy: 0.47668413102507384 Energy: 0.5262930826570474 Energy: 0.47668413102413354 Energy: 0.5262930826570474 Energy: 0.47668413102507384 Energy: 0.5863289045085646 Energy: 0.6035389436559018 Energy: 0.5863289045099752 Energy: 0.6035389436554315 Energy: 0.5863289045085646 Energy: 0.6035389436554315 Energy: 0.4503456900485356 Energy: 0.5903616126058896 Energy: 0.4503456900461848 Energy: 0.5903616126082405 Energy: 0.4503456900480655 Energy: 0.5903616126091809 minimum gb energy = 0.4503451691754394 eV minimum distance = 2.62039327068144 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 0.44654053079419376 Energy: 0.44059743695463016 Energy: 0.44654053079419376 Energy: 0.44059743695463016 Energy: 0.44654053079419376 Energy: 0.44059743695463016 Energy: 0.583649838749712 Energy: 0.4860779143254057 Energy: 0.5836498387474086 Energy: 0.4860779143254057 Energy: 0.5836498387485604 Energy: 0.4860779143254057 Energy: 0.43186843756290744 Energy: 0.7658641058834961 Energy: 0.43186843756290744 Energy: 0.7658641058834961 Energy: 0.43186843756290744 Energy: 0.7658641058834961 Energy: 0.573700426944322 Energy: 0.43632778983923765 Energy: 0.573700426944322 Energy: 0.43632778983923765 Energy: 0.573700426944322 Energy: 0.436327789838086 Energy: 0.508005034876004 Energy: 0.41760772161692933 Energy: 0.5080050348748523 Energy: 0.41760772161692933 Energy: 0.508005034876004 Energy: 0.41760772161692933 Energy: 0.49929996298341495 Energy: 0.5258183967555163 Energy: 0.4992999629822633 Energy: 0.525818396756668 Energy: 0.49929996298341495 Energy: 0.5258183967555163 Energy: 0.4353366947514118 Energy: 0.4853624928257708 Energy: 0.4353366947525634 Energy: 0.4853624928257708 Energy: 0.4353366947514118 Energy: 0.4853624928257708 Energy: 0.4466542354602696 Energy: 0.44289467049253745 Energy: 0.4466542354602696 Energy: 0.44289467049253745 Energy: 0.4466542354602696 Energy: 0.44289467049253745 Energy: 0.4721432859834844 Energy: 0.45149875323342264 Energy: 0.4721432801896979 Energy: 0.4514987532322709 Energy: 0.47214329258998283 Energy: 0.4514987532345743 Energy: 0.47851740147124805 Energy: 0.5153875731299071 Energy: 0.47851740147124805 Energy: 0.5153875731299071 Energy: 0.47851740147124805 Energy: 0.5153875731287555 Energy: 0.47738440276133703 Energy: 0.43592350266986135 Energy: 0.47738440276248867 Energy: 0.43592350266986135 Energy: 0.47738440276248867 Energy: 0.43592350266986135 Energy: 0.5078297352245918 Energy: 0.47255303507969854 Energy: 0.5078297352234402 Energy: 0.47255303507969854 Energy: 0.5078297352234402 Energy: 0.47255303508085017 minimum gb energy = 0.41760772161692933 eV minimum distance = 2.61304400458179 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 0.3936009762792224 Energy: 0.44937710333738123 Energy: 0.3936009762792224 Energy: 0.44937710333770486 Energy: 0.39360097627954604 Energy: 0.44937710333770486 Energy: 0.5658236228408557 Energy: 0.41309214800938954 Energy: 0.5658236228411793 Energy: 0.41309214800971317 Energy: 0.5658236228402085 Energy: 0.4130921480100368 Energy: 0.3533689331660073 Energy: 0.7104497143853691 Energy: 0.3533689331660073 Energy: 0.7104497143856927 Energy: 0.3533689331663309 Energy: 0.7104497143853691 Energy: 0.3846237212315948 Energy: 0.3533097632261748 Energy: 0.3846237212319183 Energy: 0.3533097632261748 Energy: 0.3846237212315948 Energy: 0.35330976322585117 Energy: 0.4311315630759931 Energy: 0.4023379925056737 Energy: 0.43113156307566947 Energy: 0.4023379925053501 Energy: 0.43113156307566947 Energy: 0.4023379925056737 Energy: 0.38692477365636346 Energy: 0.3953462168820335 Energy: 0.38692477365603983 Energy: 0.3953462168817099 Energy: 0.3869247736553927 Energy: 0.3953462168820335 Energy: 0.36571365923699656 Energy: 0.4463360749925845 Energy: 0.3657136597244424 Energy: 0.44633607498967215 Energy: 0.3657136592913305 Energy: 0.4463360749893485 Energy: 0.3424165548781743 Energy: 0.48407269453306484 Energy: 0.3424165548781743 Energy: 0.48407269453306484 Energy: 0.34241655487687994 Energy: 0.4840726945333884 Energy: 0.61822008178327 Energy: 0.40237465992134497 Energy: 0.6182200817826229 Energy: 0.40237465992134497 Energy: 0.61822008178327 Energy: 0.4023746599219921 Energy: 0.4114266237543796 Energy: 0.6488065903459592 Energy: 0.41142662375308525 Energy: 0.6488065903459592 Energy: 0.41142662375182026 Energy: 0.6488065903459592 Energy: 0.3834261102105821 Energy: 0.350170311406428 Energy: 0.38342611021155276 Energy: 0.3501703114061044 Energy: 0.38342611021090556 Energy: 0.350170311406428 Energy: 0.36018936371599747 Energy: 0.4444542231590488 Energy: 0.3601893637156739 Energy: 0.4444542231584016 Energy: 0.36018936371696825 Energy: 0.4444542231590488 Energy: 0.38100688588218745 Energy: 0.3733593195612019 Energy: 0.38100688586892023 Energy: 0.3733593195605548 Energy: 0.3810068858628014 Energy: 0.37335931956346713 Energy: 0.4020859048241822 Energy: 0.6347471585685116 Energy: 0.4020859048254766 Energy: 0.6347471585685116 Energy: 0.4020859048258002 Energy: 0.6347471585685116 Energy: 0.3699837006974777 Energy: 0.4298986079548913 Energy: 0.3699837006994193 Energy: 0.42989860795456775 Energy: 0.36998370069715425 Energy: 0.4298986079542441 Energy: 0.5008001303237926 Energy: 0.3658809916437221 Energy: 0.5008001303318823 Energy: 0.36588099164339855 Energy: 0.5008001303169971 Energy: 0.3658809916437221 Energy: 0.5182985727321454 Energy: 0.4780136694977927 Energy: 0.5182985727311747 Energy: 0.47801412576249597 Energy: 0.518298572732469 Energy: 0.478015497236352 Energy: 0.3872753391138091 Energy: 0.4420066791150252 Energy: 0.38727533911413276 Energy: 0.4420066791150252 Energy: 0.3872753391147799 Energy: 0.4420066791153488 Energy: 0.3448910520680533 Energy: 0.5504415280365944 Energy: 0.34489105206902415 Energy: 0.5504415280359473 Energy: 0.34489105206902415 Energy: 0.5504415280362709 Energy: 0.4858773185546916 Energy: 0.3978036145265073 Energy: 0.485877318555986 Energy: 0.39780361452521296 Energy: 0.4858773185546916 Energy: 0.3978036145265073 Energy: 0.3450572173061856 Energy: 0.5504150980854731 Energy: 0.3450572173068328 Energy: 0.5504150980848258 Energy: 0.3450572173055384 Energy: 0.5504150980848258 Energy: 0.38720026647458994 Energy: 0.4420129857855608 Energy: 0.3872002664749135 Energy: 0.4420129857852372 Energy: 0.3872002664758843 Energy: 0.44201298578588444 Energy: 0.5182120240836691 Energy: 0.4779015788963634 Energy: 0.5182120240839927 Energy: 0.47826596635744695 Energy: 0.5182120240843163 Energy: 0.4782648665914157 Energy: 0.5013525694321829 Energy: 0.3817285409977823 Energy: 0.5013525694205335 Energy: 0.3817285409799848 Energy: 0.5013525694716315 Energy: 0.3817285409974587 Energy: 0.36997896282799475 Energy: 0.42986623565181165 Energy: 0.3699789628263768 Energy: 0.42986623565181165 Energy: 0.36997896282734755 Energy: 0.4298662356521352 Energy: 0.40250231192141506 Energy: 0.4116380867862896 Energy: 0.402502311923033 Energy: 0.41163808678596603 Energy: 0.4025023119223858 Energy: 0.41163808678661323 Energy: 0.38087624723304 Energy: 0.3740468201675484 Energy: 0.38087621085133594 Energy: 0.374046820166254 Energy: 0.38087624394355957 Energy: 0.3740468201681956 Energy: 0.36054980477379545 Energy: 0.39099189033408643 Energy: 0.36054980477379545 Energy: 0.39099189033505716 Energy: 0.36054980477444265 Energy: 0.3909918903324685 Energy: 0.38350278308867375 Energy: 0.3501609138285466 Energy: 0.3835027830883501 Energy: 0.35016091382822306 Energy: 0.38350278308802654 Energy: 0.3501609138285466 Energy: 0.41175743232783085 Energy: 0.522990536668878 Energy: 0.41175743232912526 Energy: 0.5231922514384297 Energy: 0.4117574323233006 Energy: 0.5229972066298243 Energy: 0.6182547858550465 Energy: 0.4021712440357974 Energy: 0.6182547858556936 Energy: 0.402171244034503 Energy: 0.6182547858527813 Energy: 0.4021712440357974 Energy: 0.3424209904860048 Energy: 0.4844623091236702 Energy: 0.342420990486652 Energy: 0.4844623091236702 Energy: 0.3424209904872991 Energy: 0.4844623091233467 Energy: 0.36563918690268976 Energy: 0.44444016681203646 Energy: 0.3656391869062492 Energy: 0.44444016681397797 Energy: 0.3656391869085144 Energy: 0.44444016681397797 Energy: 0.4010811885400288 Energy: 0.37524927483369014 Energy: 0.4010811885439119 Energy: 0.37524927483369014 Energy: 0.401081188539058 Energy: 0.3752492748330429 Energy: 0.43136062578293705 Energy: 0.40271108141224243 Energy: 0.4313606257832606 Energy: 0.40271108141256606 Energy: 0.43136062578358425 Energy: 0.40271108141224243 Energy: 0.3845033053682854 Energy: 0.3532495695921737 Energy: 0.3845033053676382 Energy: 0.3532495695924973 Energy: 0.3845033053669911 Energy: 0.3532495695921737 Energy: 0.3538104561333642 Energy: 0.7106341882709394 Energy: 0.3538104561340114 Energy: 0.7106341882706158 Energy: 0.3538104561320699 Energy: 0.7106341882706158 Energy: 0.5655352399749856 Energy: 0.3755284907091605 Energy: 0.5655352399804866 Energy: 0.3755284907091605 Energy: 0.5655352399782215 Energy: 0.37552849070980765 Energy: 0.39360097627954604 Energy: 0.44937710333576325 Energy: 0.39360097627857527 Energy: 0.4493771033351161 Energy: 0.3936009762788988 Energy: 0.4493771033351161 Energy: 0.5658236228434445 Energy: 0.413092148009066 Energy: 0.5658236228427973 Energy: 0.4130921480080952 Energy: 0.5658236228421502 Energy: 0.4130921480084188 Energy: 0.35336893316762524 Energy: 0.7104497143840746 Energy: 0.35336893316730167 Energy: 0.7104497143843982 Energy: 0.3533689331679489 Energy: 0.7104497143843982 Energy: 0.3846237212335363 Energy: 0.3533097632287635 Energy: 0.38462372123385985 Energy: 0.3533097632287635 Energy: 0.3846237212341834 Energy: 0.3533097632287635 Energy: 0.43113156307534584 Energy: 0.4023379925053501 Energy: 0.4311315630763166 Energy: 0.40233799250632085 Energy: 0.43113156307502226 Energy: 0.40233799250696806 minimum gb energy = 0.34241655487687994 eV minimum distance = 2.64758232854851 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 0.16001813622286254 Energy: 0.14690811147456043 Energy: 0.09288800506768925 Energy: 0.14690811147456043 Energy: 0.16001813622286254 Energy: 0.146908111475297 Energy: 0.21259203243638275 Energy: 0.2300535014746308 Energy: 0.21259203243711933 Energy: 0.2300535014746308 Energy: 0.21259203243564612 Energy: 0.23005350147536743 Energy: 0.16781470529512005 Energy: 0.36064089124352666 Energy: 0.1678147052929102 Energy: 0.36064089125899546 Energy: 0.1678147052936468 Energy: 0.36064089125162935 Energy: 0.14820742119544303 Energy: 0.09264919484555527 Energy: 0.1482074211939698 Energy: 0.09264919484555527 Energy: 0.14820742119544303 Energy: 0.0926491948485017 Energy: 0.5957529496134926 Energy: 0.21040343107927964 Energy: 0.5957529496134926 Energy: 0.21040343108001627 Energy: 0.5957529496134926 Energy: 0.21040343108148948 Energy: 0.09276319943373285 Energy: 0.6212053128909837 Energy: 0.09276319943225962 Energy: 0.6212053128909837 Energy: 0.09276319943373285 Energy: 0.6212053128895104 Energy: 0.0926676389605701 Energy: 0.11629724882654446 Energy: 0.0926676389598335 Energy: 0.1162972488302275 Energy: 0.0926676389605701 Energy: 0.11629724882728106 Energy: 0.2126526639060124 Energy: 0.15805138523358733 Energy: 0.2126526639052758 Energy: 0.15805138523358733 Energy: 0.2126526639060124 Energy: 0.15805138523211412 Energy: 0.14822099011197698 Energy: 0.09264816211056125 Energy: 0.14822099011197698 Energy: 0.09264816211056125 Energy: 0.14822099011124037 Energy: 0.09264816210835142 Energy: 0.11704767249805194 Energy: 0.45713090042430243 Energy: 0.11704767249731532 Energy: 0.45713090042430243 Energy: 0.11704767249878854 Energy: 0.4571309004228292 Energy: 0.15961980060471764 Energy: 0.48719783547169687 Energy: 0.15961980060692746 Energy: 0.48719783547169687 Energy: 0.15961980060471764 Energy: 0.48719783547022366 Energy: 0.16001813622212593 Energy: 0.14690811147677024 Energy: 0.09288800506768925 Energy: 0.14690811147750688 Energy: 0.16001813622212593 Energy: 0.14690811147677024 Energy: 0.21259203243564612 Energy: 0.2300535014746308 Energy: 0.21259203243638275 Energy: 0.2300535014738942 Energy: 0.21259203243638275 Energy: 0.23005350147610404 Energy: 0.16781470529585665 Energy: 0.3606408912413169 Energy: 0.16781470529512005 Energy: 0.360640891239107 Energy: 0.16781470529659326 Energy: 0.3606408912553124 Energy: 0.14820742119470642 Energy: 0.09264919484629187 Energy: 0.1482074211939698 Energy: 0.09264919484629187 Energy: 0.14820742119470642 Energy: 0.09264919484923832 Energy: 0.5957529496149657 Energy: 0.21040343108001627 Energy: 0.5957529496142292 Energy: 0.21040343108075288 Energy: 0.5957529496149657 Energy: 0.2104034310822261 Energy: 0.09276319943373285 Energy: 0.6212053128917202 Energy: 0.09276319943299621 Energy: 0.6212053128917202 Energy: 0.09276319943373285 Energy: 0.6212053128895104 Energy: 0.0926676389590969 Energy: 0.11629724883096412 Energy: 0.09266763895836028 Energy: 0.11629724882728106 Energy: 0.0926676389590969 Energy: 0.11629724882728106 Energy: 0.2126526639052758 Energy: 0.15805138523211412 Energy: 0.2126526639045392 Energy: 0.15805138523137746 Energy: 0.2126526639052758 Energy: 0.15805138523064088 minimum gb energy = 0.09264816210835142 eV minimum distance = 2.74557806279823 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 0.34793001371962595 Energy: 0.3473096214429364 Energy: 0.3479300137201655 Energy: 0.3473096214429364 Energy: 0.3479300137201655 Energy: 0.3473096214429364 Energy: 0.3792738892280259 Energy: 0.32996461351743855 Energy: 0.3792738892285655 Energy: 0.3299646135179782 Energy: 0.3792738892269467 Energy: 0.3299646135179782 Energy: 0.40253788739466423 Energy: 0.5700282071708772 Energy: 0.40253788739466423 Energy: 0.5700282071697981 Energy: 0.4025378873941246 Energy: 0.5700282071697981 Energy: 0.4460189785916523 Energy: 0.3393030716055865 Energy: 0.4460189785916523 Energy: 0.3393030716050469 Energy: 0.44601897859057305 Energy: 0.3393030716061261 Energy: 0.3416851314359809 Energy: 0.29252132104823503 Energy: 0.34168513143706003 Energy: 0.29252132104823503 Energy: 0.34168513143652046 Energy: 0.29252132104823503 Energy: 0.3419572856008914 Energy: 0.3946195976647185 Energy: 0.3419572855998122 Energy: 0.3946195976647185 Energy: 0.34195728560143096 Energy: 0.3946195976641789 Energy: 0.28381427141554116 Energy: 0.5349117616266212 Energy: 0.28381427141446197 Energy: 0.5349117616266212 Energy: 0.2838142714139224 Energy: 0.5349117616271608 Energy: 0.40785457802202896 Energy: 0.2609173400921302 Energy: 0.40785457802148933 Energy: 0.2609173400921302 Energy: 0.40785457802148933 Energy: 0.2609173400926697 Energy: 0.37685160284996133 Energy: 0.25876047158918664 Energy: 0.37685160284888214 Energy: 0.25876047158864707 Energy: 0.37685160284996133 Energy: 0.25876047158918664 Energy: 0.2603267129989443 Energy: 0.514582597880372 Energy: 0.26032671299948396 Energy: 0.514582597880372 Energy: 0.2603267129978652 Energy: 0.5145825978809115 Energy: 0.38010950032233143 Energy: 0.4581376487225258 Energy: 0.38010950033258345 Energy: 0.45813764872306545 Energy: 0.38010950032179186 Energy: 0.45813764872306545 Energy: 0.34199693501260203 Energy: 0.29468745716150657 Energy: 0.34199693501260203 Energy: 0.294687457160967 Energy: 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Energy: 0.6113259221452314 Energy: 0.5002826810598558 Energy: 0.3264063805270106 Energy: 0.5002826810614746 Energy: 0.32640638052593146 Energy: 0.5002826810620141 Energy: 0.32640638052647103 Energy: 0.34212472361634283 Energy: 0.3322017472815398 Energy: 0.34212472361688245 Energy: 0.3322017472815398 Energy: 0.34212472361634283 Energy: 0.3322017472815398 Energy: 0.2602143836900969 Energy: 0.410531723211171 Energy: 0.2602143836879386 Energy: 0.4105317232106314 Energy: 0.26021438368955735 Energy: 0.410531723211171 Energy: 0.40721232576778815 Energy: 0.4407446977238482 Energy: 0.40721232576616945 Energy: 0.4407446977243879 Energy: 0.40721232576778815 Energy: 0.44074469773248154 Energy: 0.410167047714204 Energy: 0.33036895264404165 Energy: 0.4101670477136644 Energy: 0.3303689526435021 Energy: 0.4101670477136644 Energy: 0.33036895264134375 Energy: 0.37816255338252347 Energy: 0.3001250377517531 Energy: 0.37816255338306304 Energy: 0.3001250377517531 Energy: 0.37816255338198385 Energy: 0.3001250377522927 Energy: 0.26033836483158423 Energy: 0.6343139730756896 Energy: 0.26033836483158423 Energy: 0.6343139730756896 Energy: 0.26033836483050515 Energy: 0.6343139730762293 Energy: 0.6359042746922129 Energy: 0.46052385755986086 Energy: 0.6359042746916733 Energy: 0.4605238575593213 Energy: 0.6359042746911336 Energy: 0.46052385755986086 minimum gb energy = 0.25876047158864707 eV minimum distance = 2.67273256907656 Angstroms sigma value = 41 ======================================== theta = 58.99241699313286 ======================================== Energy: 0.4268940638298132 Energy: 0.297723941871225 Energy: 0.4268940638302192 Energy: 0.29772394187079976 Energy: 0.4268940638306445 Energy: 0.29772394187079976 Energy: 0.45600878883211565 Energy: 0.4288229366789526 Energy: 0.45600878883381685 Energy: 0.4288229366789526 Energy: 0.4560087888329663 Energy: 0.4288229366789526 Energy: 0.5090160810943861 Energy: 0.6127932491243386 Energy: 0.5090160810939608 Energy: 0.6127932491239133 Energy: 0.5090160810948113 Energy: 0.6127932491239133 Energy: 0.4304609316469953 Energy: 0.29271014118915456 Energy: 0.43046093164742055 Energy: 0.29271014118915456 Energy: 0.4304609316469953 Energy: 0.29271014118915456 Energy: 0.286667524287037 Energy: 0.33773869977536025 Energy: 0.2866675242866117 Energy: 0.33773869977536025 Energy: 0.286667524287037 Energy: 0.33773869977536025 Energy: 0.41703239462198577 Energy: 0.5207787614650032 Energy: 0.417032394622411 Energy: 0.5207787614650032 Energy: 0.41703239462198577 Energy: 0.5207787614650032 Energy: 0.35269626827467626 Energy: 0.5130564707663156 Energy: 0.352696268274251 Energy: 0.5130564707616568 Energy: 0.352696268274251 Energy: 0.5130564707654651 Energy: 0.33643382314724246 Energy: 0.2927616382971683 Energy: 0.33643382314724246 Energy: 0.29276163829674295 Energy: 0.33643382314766773 Energy: 0.2927616382971683 Energy: 0.3337096053075441 Energy: 0.3381386305395542 Energy: 0.3337096053071189 Energy: 0.3381386305395542 Energy: 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0.42807611996150813 Energy: 0.5145608076760269 Energy: 0.726159963142044 Energy: 0.5145608076756014 Energy: 0.726159963142044 Energy: 0.5145608076756014 Energy: 0.726159963142044 Energy: 0.4309156611224347 Energy: 0.29262803537155335 Energy: 0.4309156611224347 Energy: 0.29262803537155335 Energy: 0.43091566112371044 Energy: 0.29262803537155335 Energy: 0.2873737106152122 Energy: 0.46223076411201797 Energy: 0.28737371061563755 Energy: 0.46223076411201797 Energy: 0.28737371061563755 Energy: 0.48587886126727364 Energy: 0.2871618220830283 Energy: 0.5186758325425586 Energy: 0.2871618220830283 Energy: 0.5186758325425586 Energy: 0.2871618220830283 Energy: 0.5186758325425586 Energy: 0.35277357020823175 Energy: 0.3359468378651835 Energy: 0.35277357020738115 Energy: 0.33594683786433294 Energy: 0.3527735702078065 Energy: 0.33594683786263174 Energy: 0.33495420604221127 Energy: 0.2929422542648388 Energy: 0.334954206041786 Energy: 0.29294225426398823 Energy: 0.334954206041786 Energy: 0.2929422542648388 Energy: 0.33269248421329595 Energy: 0.43678807974629175 Energy: 0.3326924842137212 Energy: 0.43678807974629175 Energy: 0.3326924842137212 Energy: 0.45067798156418465 Energy: 0.42865344471835065 Energy: 0.43451357580494604 Energy: 0.4286534447175001 Energy: 0.43451357580494604 Energy: 0.4286534447187759 Energy: 0.43451357580494604 Energy: 0.5958068294457786 Energy: 0.28637051566943084 Energy: 0.595806829446629 Energy: 0.28637051566943084 Energy: 0.5958068294457786 Energy: 0.28637051566900557 Energy: 0.33251884069404203 Energy: 0.353753797595114 Energy: 0.33251884069404203 Energy: 0.3537537975946887 Energy: 0.33251884069404203 Energy: 0.353753797595114 Energy: 0.3356488428388014 Energy: 0.29254472437207807 Energy: 0.3356488428388014 Energy: 0.29254472437207807 Energy: 0.33564884283922675 Energy: 0.29254472437207807 Energy: 0.28724574844707756 Energy: 0.4016080563924883 Energy: 0.28724574844750284 Energy: 0.4016080563924883 Energy: 0.28724574844707756 Energy: 0.4016080563929136 minimum gb energy = 0.28637051566900557 eV minimum distance = 2.72397540299162 Angstroms sigma value = 33 ======================================== theta = 62.439396894736774 ======================================== Energy: 0.3280658988413296 Energy: 0.31574335691867245 Energy: 0.32806589884162807 Energy: 0.31574335691837396 Energy: 0.3280658988419265 Energy: 0.3157433569189709 Energy: 0.40962212262859793 Energy: 0.3334474277306513 Energy: 0.40962212263009024 Energy: 0.3334474277306513 Energy: 0.40962212263635805 Energy: 0.33344742773005437 Energy: 0.549450610346337 Energy: 0.6178569026000492 Energy: 0.5494506103460385 Energy: 0.6178569025997507 Energy: 0.5494506103460385 Energy: 0.6178569026006461 Energy: 0.3849679179466352 Energy: 0.3142870830377613 Energy: 0.3849679179558877 Energy: 0.3142870830380598 Energy: 0.38496791795021684 Energy: 0.3142870830380598 Energy: 0.3130733010798484 Energy: 0.5321542065873643 Energy: 0.3130733010792514 Energy: 0.5321542065873643 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Energy: 0.3136734054797365 Energy: 0.3140305034044325 Energy: 0.3896544532804854 Energy: 0.3140305034041341 Energy: 0.3896544533031689 Energy: 0.31403050340502947 Energy: 0.38965445328197773 Energy: 0.6191117930498237 Energy: 0.5488777840288359 Energy: 0.6191117930939697 Energy: 0.5488777840291345 Energy: 0.6191117930569869 Energy: 0.5488777840294328 Energy: 0.44007912784163117 Energy: 0.3731803362660754 Energy: 0.4400791278398404 Energy: 0.37318033626637387 Energy: 0.4400791278308864 Energy: 0.3731803362660754 Energy: 0.3159594401060267 Energy: 0.32876941071119004 Energy: 0.3159594401063252 Energy: 0.32876941071059307 Energy: 0.3159594401054298 Energy: 0.3287694107108915 Energy: 0.3353824632504797 Energy: 0.41044929599196545 Energy: 0.3353824632507782 Energy: 0.41044929595916113 Energy: 0.3353824632498828 Energy: 0.4104492959600566 Energy: 0.5631471485170463 Energy: 0.45531761296209877 Energy: 0.5631471485173446 Energy: 0.4553176129615019 Energy: 0.5631471485176431 Energy: 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Energy: 0.43992771691005217 Energy: 0.3768120376422408 Energy: 0.43992771691005217 Energy: 0.3768120376422408 Energy: 0.4399277169082613 Energy: 0.3768120376422408 Energy: 0.3149880284985217 Energy: 0.5353879742747579 Energy: 0.31498802849822327 Energy: 0.5353879742744595 Energy: 0.31498802849822327 Energy: 0.5353879742744595 Energy: 0.5172077994592772 Energy: 0.314055627331794 Energy: 0.5172077994592772 Energy: 0.31405562733209247 Energy: 0.5172077994592772 Energy: 0.31405562733209247 Energy: 0.3917736381619404 Energy: 0.5153657442169751 Energy: 0.3917736381607465 Energy: 0.5153657442190644 Energy: 0.3917736381607465 Energy: 0.5153657442313015 Energy: 0.37167408380699635 Energy: 0.530831026791588 Energy: 0.37167408380610095 Energy: 0.5308310267918865 Energy: 0.3716740838066979 Energy: 0.530831026791588 Energy: 0.3280129630194871 Energy: 0.31758901005899887 Energy: 0.3280129630194871 Energy: 0.31758901005899887 Energy: 0.32801296301859173 Energy: 0.3175890100587004 Energy: 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Energy: 0.5581249140738775 Energy: 0.4245266443577052 Energy: 0.5581249140749633 Energy: 0.42452664435745846 Energy: 0.5581249140727916 Energy: 0.5450854259684288 Energy: 0.4567271741460034 Energy: 0.5450854259670469 Energy: 0.4567271741460034 Energy: 0.5450854259670469 Energy: 0.4567271741460034 Energy: 0.4193480743945985 Energy: 0.48809185828503954 Energy: 0.4193480743964739 Energy: 0.48809185828474344 Energy: 0.4193480743956843 Energy: 0.4880918582844967 Energy: 0.4421027901491635 Energy: 0.6036636376273041 Energy: 0.44210279015024917 Energy: 0.6036636376276003 Energy: 0.4421027901480777 Energy: 0.6036636376276003 Energy: 0.5239888480460065 Energy: 0.5491155572573513 Energy: 0.5239888480460065 Energy: 0.5491155572573513 Energy: 0.5239888480454638 Energy: 0.5491155572573513 Energy: 0.6259932023474952 Energy: 0.4825120804151633 Energy: 0.6259932023488277 Energy: 0.48251208041491656 Energy: 0.6259932023482848 Energy: 0.4825120804151633 Energy: 0.4444181543957485 Energy: 0.43942489517607686 Energy: 0.4444181543965382 Energy: 0.43942489518066696 Energy: 0.44441815439629134 Energy: 0.4394248951798772 Energy: 0.4770528321877271 Energy: 0.5009837327041866 Energy: 0.47705283218609834 Energy: 0.5009837327052723 Energy: 0.47705283218743094 Energy: 0.5009837327044826 Energy: 0.6394233936843338 Energy: 0.511691273907049 Energy: 0.6394233936821622 Energy: 0.5116912739072959 Energy: 0.6394233936862093 Energy: 0.511691273907049 Energy: 0.6844095947617775 Energy: 0.5124315878138965 Energy: 0.6844095947628633 Energy: 0.5124315878136003 Energy: 0.6844095947603955 Energy: 0.5124315878138965 Energy: 0.4655876029520329 Energy: 0.5125583769429018 Energy: 0.46558760295257584 Energy: 0.512558376942359 Energy: 0.46558760295232904 Energy: 0.5125583769429018 Energy: 0.4347433060309176 Energy: 0.4558932484993557 Energy: 0.43474330602766015 Energy: 0.45589324849881274 Energy: 0.4347433060303747 Energy: 0.45589324849989854 Energy: 0.6521956649115407 Energy: 0.48284689293814703 Energy: 0.6521956649117875 Energy: 0.4828468929383938 Energy: 0.6521956649109977 Energy: 0.48284689293814703 Energy: 0.472336786088722 Energy: 0.5370084157647954 Energy: 0.4723367860892648 Energy: 0.5370084157637096 Energy: 0.47233678608625423 Energy: 0.5370084157617848 Energy: 0.4348606082815799 Energy: 0.610639962442404 Energy: 0.43486060828074086 Energy: 0.610639962441861 Energy: 0.43486060828019796 Energy: 0.610639962443243 Energy: 0.42547668086285867 Energy: 0.5118697406050825 Energy: 0.42547668086448737 Energy: 0.5118697406050825 Energy: 0.42547668086285867 Energy: 0.5118697406056254 Energy: 0.6113260640297634 Energy: 0.45579623370049893 Energy: 0.6113260640343533 Energy: 0.4557962337002521 Energy: 0.6113260640232485 Energy: 0.45579623370079503 Energy: 0.4483277706030135 Energy: 0.5576555713600168 Energy: 0.4483277706040993 Energy: 0.5576555713695422 Energy: 0.44832777060464213 Energy: 0.5576555713583881 Energy: 0.4441909917184764 Energy: 0.6106519885853394 Energy: 0.4441909917173906 Energy: 0.6106519885850433 Energy: 0.4441909917184764 Energy: 0.6106519885837107 Energy: 0.4867202022720368 Energy: 0.47979517739456223 Energy: 0.4867202022745045 Energy: 0.4797951773951051 Energy: 0.48672020227341867 Energy: 0.47979517739456223 Energy: 0.6422378039039591 Energy: 0.433101249451268 Energy: 0.6422378039015407 Energy: 0.43310124945289663 Energy: 0.6422378039037123 Energy: 0.4331012494507251 Energy: 0.4742501630629516 Energy: 0.621358677818294 Energy: 0.4742501630621126 Energy: 0.6213586778180472 Energy: 0.4742501630621126 Energy: 0.6213586778180472 Energy: 0.47961749027705464 Energy: 0.467492784653981 Energy: 0.4796174902811017 Energy: 0.46749278464855204 Energy: 0.47961749027922623 Energy: 0.46749278465156263 Energy: 0.6042807020872942 Energy: 0.4106275934872643 Energy: 0.6042807020872942 Energy: 0.41062759348780714 Energy: 0.6042807020851225 Energy: 0.4106275934872643 Energy: 0.638236136045913 Energy: 0.4651905267413302 Energy: 0.6382361360448765 Energy: 0.4651905267418731 Energy: 0.6382361360456662 Energy: 0.465190526742416 Energy: 0.44605865951092166 Energy: 0.5662402651121566 Energy: 0.4460586595103787 Energy: 0.5662402650438004 Energy: 0.44605865950953977 Energy: 0.5662402651230146 Energy: 0.42094023682620063 Energy: 0.4862854294486894 Energy: 0.4209402368248681 Energy: 0.48628542944814646 Energy: 0.4209402368275826 Energy: 0.48628542944839326 Energy: 0.48706696504187014 Energy: 0.4845885086044227 Energy: 0.48706696504024144 Energy: 0.4845885086052124 Energy: 0.4870669650404882 Energy: 0.4845885086044227 Energy: 0.6093782292288494 Energy: 0.6274151490325466 Energy: 0.6093782292299352 Energy: 0.6274151490276604 Energy: 0.6093782292299352 Energy: 0.6274151490284502 Energy: 0.49934735776835976 Energy: 0.5776614346231884 Energy: 0.49934735776865585 Energy: 0.5776614346226455 Energy: 0.49934735776835976 Energy: 0.5776614346234351 minimum gb energy = 0.3921275613650597 eV minimum distance = 2.61014420631337 Angstroms sigma value = 81 ======================================== theta = 80.63108442154517 ======================================== Energy: 0.6269423520131885 Energy: 0.43621477681440657 Energy: 0.47637839132538207 Energy: 0.43621477681105353 Energy: 0.6269423520128158 Energy: 0.4362147768125437 Energy: 0.46235343282357355 Energy: 0.43776406581404614 Energy: 0.4623534328287894 Energy: 0.43789551840870766 Energy: 0.4623534328246912 Energy: 0.4377640658121833 Energy: 0.5327290451702171 Energy: 0.5739524364949145 Energy: 0.4879671118105015 Energy: 0.5739524364967773 Energy: 0.532729045169472 Energy: 0.5739524364956595 Energy: 0.450639352796329 Energy: 0.665229173422464 Energy: 0.45063935279521133 Energy: 0.6652291734265623 Energy: 0.4506393527967016 Energy: 0.6652291734246993 Energy: 0.4373011847326495 Energy: 0.40293452357517406 Energy: 0.43730118473004154 Energy: 0.4029345235759192 Energy: 0.4373011847307866 Energy: 0.4029345235781546 Energy: 0.4962971840018554 Energy: 0.4121390464203495 Energy: 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0.4723811297542913 Energy: 0.5390490941488163 Energy: 0.471790208107085 Energy: 0.45215110307972417 Energy: 0.4376239321497424 Energy: 0.4521511030778613 Energy: 0.4375075289947014 Energy: 0.4521511030763711 Energy: 0.43762393215011497 Energy: 0.5007694438894376 Energy: 0.5918003259535323 Energy: 0.5007694438920456 Energy: 0.5918003259516694 Energy: 0.5007694438909279 Energy: 0.5918003259505518 Energy: 0.6710124984877197 Energy: 0.47919797753643467 Energy: 0.671012498487347 Energy: 0.47919797753829757 Energy: 0.6710124984851117 Energy: 0.47919797754053295 Energy: 0.4304353185625678 Energy: 0.40018490438759013 Energy: 0.4304353185618226 Energy: 0.40018490438609994 Energy: 0.43043531856219525 Energy: 0.4001849043887078 Energy: 0.5345247890579683 Energy: 0.48025304805637753 Energy: 0.5345247890590861 Energy: 0.5292129053330272 Energy: 0.5345247890575957 Energy: 0.48025304805414215 Energy: 0.4736739646153423 Energy: 0.5046024274815583 Energy: 0.4776256420601841 Energy: 0.5046024274826759 Energy: 0.47367396461459715 Energy: 0.5046024274808131 Energy: 0.5733380743933649 Energy: 0.530789092001362 Energy: 0.5733380743926536 Energy: 0.5507200678245544 Energy: 0.5733380743922811 Energy: 0.530789092001362 Energy: 0.5810164998720138 Energy: 0.5481507959666977 Energy: 0.5810164998708962 Energy: 0.5481507959674429 Energy: 0.5810164998697784 Energy: 0.5481507959670702 Energy: 0.40430732586714857 Energy: 0.43754230593973503 Energy: 0.40430732586491314 Energy: 0.43754230593787224 Energy: 0.40430732586640333 Energy: 0.4375423059375335 Energy: 0.5594047823522348 Energy: 0.6926967567454104 Energy: 0.5592355909158541 Energy: 0.6926967567413123 Energy: 0.5594047823503719 Energy: 0.692696756743175 Energy: 0.6798009560677928 Energy: 0.6065401025971215 Energy: 0.6148545760887286 Energy: 0.6065401025989844 Energy: 0.6798009560666752 Energy: 0.6065401026001022 Energy: 0.4517281933434418 Energy: 0.4372117700570636 Energy: 0.4517281933464223 Energy: 0.43736633627012994 Energy: 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Energy: 0.4716423392563646 Energy: 0.6631428197718253 Energy: 0.672531843677914 Energy: 0.6631428197714527 Energy: 0.6725318436805219 Energy: 0.6631428197740606 Energy: 0.6725318436786591 Energy: 0.4014579348178265 Energy: 0.4374604243822764 Energy: 0.40145793481819914 Energy: 0.43746042437966853 Energy: 0.40145793481559117 Energy: 0.43746042438153127 Energy: 0.4939551409393265 Energy: 0.5161075324627908 Energy: 0.4938008871269373 Energy: 0.5158636769656614 Energy: 0.49395514094454235 Energy: 0.5161075324594377 Energy: 0.635995576049532 Energy: 0.572131126186377 Energy: 0.6359957414834569 Energy: 0.5720090347660767 Energy: 0.6359955760499045 Energy: 0.5721311261826512 Energy: 0.4910427085766529 Energy: 0.6178454984013766 Energy: 0.48788198423023726 Energy: 0.6178454984002588 Energy: 0.4910427085803785 Energy: 0.6178454984017492 Energy: 0.5490734271734016 Energy: 0.5797601242501103 Energy: 0.5490734271745192 Energy: 0.5797601242512279 Energy: 0.5490734271741466 Energy: 0.5797601242497377 Energy: 0.4400805705723453 Energy: 0.40308781777460934 Energy: 0.44008057057160016 Energy: 0.40308781777423686 Energy: 0.44008057057346306 Energy: 0.40308781777237396 Energy: 0.691561405812567 Energy: 0.39138591226714875 Energy: 0.6915614058136846 Energy: 0.41054389593317164 Energy: 0.691561405812567 Energy: 0.39138591232113645 minimum gb energy = 0.39138591226714875 eV minimum distance = 2.65897408481379 Angstroms sigma value = 43 ======================================== theta = 82.945868617881 ======================================== Energy: 0.5631452440513716 Energy: 0.3869336627086515 Energy: 0.5631452440513716 Energy: 0.3869336627086515 Energy: 0.5631452440509139 Energy: 0.3869336627086515 Energy: 0.5285781170982318 Energy: 0.4574171968276857 Energy: 0.5285781170977741 Energy: 0.45741719682677057 Energy: 0.5285781170977741 Energy: 0.45741719682631293 Energy: 0.48272725208744544 Energy: 0.527200862175496 Energy: 0.4827272520865302 Energy: 0.5272008621764112 Energy: 0.48272725208744544 Energy: 0.5272008621773057 Energy: 0.49491128830192105 Energy: 0.4653831173649209 Energy: 0.49491128829642955 Energy: 0.46538311736537846 Energy: 0.49491128829414144 Energy: 0.4653831173649209 Energy: 0.41679494710537374 Energy: 0.44380111197936034 Energy: 0.41679494710537374 Energy: 0.44380111197890265 Energy: 0.41679494710445847 Energy: 0.4438011119798179 Energy: 0.4399006128140387 Energy: 0.5570592681439122 Energy: 0.4399006128140387 Energy: 0.5570592681434545 Energy: 0.4399006128140387 Energy: 0.5570592681439122 Energy: 0.5780180918138942 Energy: 0.5580455673883001 Energy: 0.5780180918134367 Energy: 0.5580455673883001 Energy: 0.5780180918138942 Energy: 0.5580455673883001 Energy: 0.5381363354382964 Energy: 0.44264824619977744 Energy: 0.5381363354382964 Energy: 0.4426482462002351 Energy: 0.5381363354382964 Energy: 0.44264824619977744 Energy: 0.48672068995609935 Energy: 0.45569478749870407 Energy: 0.48672068995564166 Energy: 0.4556947874991617 Energy: 0.48672068995564166 Energy: 0.45569478749870407 Energy: 0.4562082330855676 Energy: 0.49427618976934495 Energy: 0.4562082330855676 Energy: 0.49427618977300597 Energy: 0.45620823308511 Energy: 0.49427618977071786 Energy: 0.5827439657788132 Energy: 0.5246248402250799 Energy: 0.5827439657792708 Energy: 0.5246248402250799 Energy: 0.5827439657792708 Energy: 0.5246248402250799 Energy: 0.5122158709338671 Energy: 0.42283821935868915 Energy: 0.5122158709334096 Energy: 0.4228382193522824 Energy: 0.5122158709334096 Energy: 0.42283821935823157 Energy: 0.43485034669075473 Energy: 0.5429290175072983 Energy: 0.4348503466898395 Energy: 0.5429290175077559 Energy: 0.4348503466912123 Energy: 0.5429290175082135 Energy: 0.4797862365001481 Energy: 0.6916192551857469 Energy: 0.47978623650060576 Energy: 0.6916192551857469 Energy: 0.4797862365001481 Energy: 0.6916192551857469 Energy: 0.555590483516667 Energy: 0.45758418644633514 Energy: 0.5555904835152942 Energy: 0.4575841864467927 Energy: 0.5555904835162093 Energy: 0.4575841864467927 Energy: 0.464514225538984 Energy: 0.4394775595576816 Energy: 0.46451422553944166 Energy: 0.439477559560885 Energy: 0.464514225538984 Energy: 0.4394775595640884 Energy: 0.46430966911042 Energy: 0.4830239848757775 Energy: 0.46430966911042 Energy: 0.4830239848771503 Energy: 0.46430966911042 Energy: 0.4830239848771503 Energy: 0.63915267045287 Energy: 0.5155618947641096 Energy: 0.63915267045287 Energy: 0.5155618947641096 Energy: 0.6391526704524124 Energy: 0.5155618947641096 Energy: 0.6393521386034698 Energy: 0.47995076045258545 Energy: 0.6393521386025546 Energy: 0.47995076045258545 Energy: 0.6393521386034698 Energy: 0.47995076045258545 Energy: 0.481027492939643 Energy: 0.4750088494407739 Energy: 0.481027492939643 Energy: 0.4750088494403162 Energy: 0.481027492939643 Energy: 0.4750088494407739 Energy: 0.43466096450520525 Energy: 0.46060384871042337 Energy: 0.43466096450566294 Energy: 0.46060384871133875 Energy: 0.43466096450520525 Energy: 0.46060384871133875 Energy: 0.5017999731182552 Energy: 0.4582864496405296 Energy: 0.501799973115967 Energy: 0.4582864496405296 Energy: 0.5017999731150519 Energy: 0.45828644964098725 Energy: 0.4540884889937668 Energy: 0.5234466417870537 Energy: 0.4540884889933091 Energy: 0.5234466417865961 Energy: 0.4540884889937668 Energy: 0.5234466417870537 Energy: 0.4380363149181365 Energy: 0.5357637243542678 Energy: 0.43803631491767886 Energy: 0.5357637243556407 Energy: 0.4380363149181365 Energy: 0.5357637243538103 Energy: 0.5374776885075777 Energy: 0.401458425374894 Energy: 0.5374776885075777 Energy: 0.40145842537214826 Energy: 0.5374776885075777 Energy: 0.40145842537443643 Energy: 0.5671933459480396 Energy: 0.4790295549886547 Energy: 0.567193345947582 Energy: 0.4790295549886547 Energy: 0.5671933459494126 Energy: 0.4790295549891123 Energy: 0.4562017226609914 Energy: 0.4919732634788268 Energy: 0.4562017226609914 Energy: 0.4919732634788268 Energy: 0.4562017226609914 Energy: 0.4919732634788268 Energy: 0.4848406844709231 Energy: 0.4451275566070096 Energy: 0.4848406844709231 Energy: 0.4451275566070096 Energy: 0.4848406844709231 Energy: 0.4451275566070096 Energy: 0.512622045029316 Energy: 0.4426736063068944 Energy: 0.5126220450288582 Energy: 0.4426736063068944 Energy: 0.5126220450325192 Energy: 0.4426736063068944 Energy: 0.5541598454030624 Energy: 0.5782208302907239 Energy: 0.5541598454030624 Energy: 0.5782208302930121 Energy: 0.5541598454030624 Energy: 0.5782208302920969 Energy: 0.43744157298855146 Energy: 0.5025344274232334 Energy: 0.43744157298809383 Energy: 0.5025344274236911 Energy: 0.43744157298809383 Energy: 0.5025344274232334 minimum gb energy = 0.3869336627086515 eV minimum distance = 2.64635285413909 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 0.41034091805676515 Energy: 0.378168252309829 Energy: 0.41034091805735773 Energy: 0.3781682523092364 Energy: 0.41034091805676515 Energy: 0.3781682523092364 Energy: 0.39000289169782115 Energy: 0.5120974447386689 Energy: 0.3900028916972285 Energy: 0.5120974447386689 Energy: 0.3900028916924883 Energy: 0.5120974447386689 Energy: 0.47160202956976505 Energy: 0.42877480217146186 Energy: 0.4716020295691726 Energy: 0.4287748021708694 Energy: 0.47160202956976505 Energy: 0.42877480217146186 Energy: 0.605225106508441 Energy: 0.5640505220940996 Energy: 0.6052251065102185 Energy: 0.5640505220946921 Energy: 0.6052251065090335 Energy: 0.5640505220940996 Energy: 0.4449783599248489 Energy: 0.4498443059731384 Energy: 0.4449783599254413 Energy: 0.44984430597136077 Energy: 0.4449783599254413 Energy: 0.449844305966028 Energy: 0.4741993839996938 Energy: 0.42226051458650354 Energy: 0.4741993839996938 Energy: 0.4222605145835408 Energy: 0.4741993839991012 Energy: 0.42226051458650354 Energy: 0.5394284212752639 Energy: 0.5103136085449828 Energy: 0.5394284212740789 Energy: 0.5103136085443902 Energy: 0.5394284212752639 Energy: 0.5103136085443902 Energy: 0.41122042393719366 Energy: 0.3811771473297401 Energy: 0.41122042395437697 Energy: 0.3811771473303327 Energy: 0.4112204239300833 Energy: 0.3811771473297401 Energy: 0.4117944278831941 Energy: 0.399747198775043 Energy: 0.41179442788082393 Energy: 0.399747198775043 Energy: 0.41179442788082393 Energy: 0.3997471987744506 Energy: 0.5285822280811358 Energy: 0.38851056066629036 Energy: 0.5285822280811358 Energy: 0.38851056066629036 Energy: 0.5285822280805431 Energy: 0.38851056066629036 Energy: 0.4186211815245853 Energy: 0.5573803323147412 Energy: 0.4186211815251778 Energy: 0.5573803323147412 Energy: 0.4186211815251778 Energy: 0.5573803323147412 Energy: 0.44279376956174815 Energy: 0.4485121652684476 Energy: 0.44279376956115557 Energy: 0.4485121652696326 Energy: 0.44279376956056316 Energy: 0.4485121652690402 Energy: 0.43584958152780096 Energy: 0.400038176976149 Energy: 0.43584958152780096 Energy: 0.40003817698029664 Energy: 0.4358495815272084 Energy: 0.4000381769797042 Energy: 0.5418208659449886 Energy: 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Energy: 0.4974673370365369 Energy: 0.3984808123165739 Energy: 0.4974673370365369 Energy: 0.39848081231598137 Energy: 0.542244874943142 Energy: 0.3786829857488604 Energy: 0.542244874943142 Energy: 0.3786829857488604 Energy: 0.542244874943142 Energy: 0.3786829857488604 Energy: 0.5416235399368626 Energy: 0.5392850074340984 Energy: 0.541623539935085 Energy: 0.5392850074335058 Energy: 0.5416235399368626 Energy: 0.5392850074335058 Energy: 0.4358509199563145 Energy: 0.40013832212382305 Energy: 0.43585091995572195 Energy: 0.40013832213567363 Energy: 0.43585091995512937 Energy: 0.40013832213863626 Energy: 0.44260949322868726 Energy: 0.4485116163327346 Energy: 0.44260949322631715 Energy: 0.4485116163327346 Energy: 0.4426094932316499 Energy: 0.4485116163327346 minimum gb energy = 0.3781682523092364 eV minimum distance = 2.67633606327297 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 0.43851251922096185 Energy: 0.37466802260402776 Energy: 0.4385125192259896 Energy: 0.3746680226048657 Energy: 0.4385125192226378 Energy: 0.37466802260402776 Energy: 0.4562172130629645 Energy: 0.4686283901986328 Energy: 0.4562172130629645 Energy: 0.4686283901969568 Energy: 0.4562172130629645 Energy: 0.4686283901986328 Energy: 0.4558960930145833 Energy: 0.40742671300960737 Energy: 0.45589609301374534 Energy: 0.40742671301044536 Energy: 0.4558960930145833 Energy: 0.40742671300960737 Energy: 0.46715414284832857 Energy: 0.5009679620964562 Energy: 0.46715414284832857 Energy: 0.5009679620956182 Energy: 0.46715414284832857 Energy: 0.5009679620956182 Energy: 0.4425918387824949 Energy: 0.5337396401069656 Energy: 0.4425918387824949 Energy: 0.5337396401061277 Energy: 0.4425918387824949 Energy: 0.5337396401061277 Energy: 0.4843103866883987 Energy: 0.41476860398531296 Energy: 0.4843103866875608 Energy: 0.41476860398531296 Energy: 0.4843103866875608 Energy: 0.41476860398531296 Energy: 0.42632755146402457 Energy: 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0.41601038465638296 Energy: 0.44084529699140235 Energy: 0.41601038465638296 Energy: 0.44084529699140235 Energy: 0.41601038465638296 Energy: 0.3839006075630174 Energy: 0.41376719735261464 Energy: 0.3839006075638554 Energy: 0.41376719735261464 Energy: 0.3839006075630174 Energy: 0.41376719735261464 Energy: 0.5079228415672229 Energy: 0.5274291444752146 Energy: 0.5079228415672229 Energy: 0.5274291444752146 Energy: 0.5079228415672229 Energy: 0.5274291444752146 Energy: 0.4839473462147851 Energy: 0.4161227658803511 Energy: 0.4839473462240027 Energy: 0.4161227658803511 Energy: 0.4839473462240027 Energy: 0.4161227658837029 Energy: 0.3829703470603695 Energy: 0.41204417841076313 Energy: 0.3829703470603695 Energy: 0.41204417841076313 Energy: 0.3829703470603695 Energy: 0.41204417841076313 minimum gb energy = 0.37466802260402776 eV minimum distance = 2.68499371145123 Angstroms sigma value = 17 ======================================== theta = 97.054131382119 ======================================== 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Energy: 0.3767832837185644 Energy: 0.4540846454703114 Energy: 0.3767832837208295 Energy: 0.4540846454712822 Energy: 0.37678328373442027 Energy: 0.48192203113104926 Energy: 0.47270593901414104 Energy: 0.48192203112943127 Energy: 0.4727059390138174 Energy: 0.48192203113104926 Energy: 0.4727059390134938 Energy: 0.37112641733169527 Energy: 0.4371648888918156 Energy: 0.37112641733363677 Energy: 0.4371648888927864 Energy: 0.37112641733298957 Energy: 0.4371648888927864 Energy: 0.3802407514802585 Energy: 0.35433329150397913 Energy: 0.3802407514805821 Energy: 0.3543332915033319 Energy: 0.3802407514802585 Energy: 0.3543332915030083 Energy: 0.5689254094437897 Energy: 0.4519289999411355 Energy: 0.568925409443466 Energy: 0.45192899994048824 Energy: 0.5689254094450841 Energy: 0.45192899994048824 Energy: 0.45290632572801415 Energy: 0.4465165472185356 Energy: 0.45290632579432094 Energy: 0.44651654721885925 Energy: 0.45290632576908085 Energy: 0.4465165472185356 Energy: 0.4070259778202106 Energy: 0.427332922774022 Energy: 0.4070259778205341 Energy: 0.4273329227704626 Energy: 0.40702597782118133 Energy: 0.4273329227724041 Energy: 0.4615963304208134 Energy: 0.4265714632092005 Energy: 0.4615963304201662 Energy: 0.42657146320887696 Energy: 0.46159633042178416 Energy: 0.42657146320822975 Energy: 0.588534713769938 Energy: 0.36387471876843974 Energy: 0.5885347137683202 Energy: 0.36387471876552746 Energy: 0.5885347137696145 Energy: 0.36387471876488026 Energy: 0.4617400893762 Energy: 0.4363562654977053 Energy: 0.46174008937458205 Energy: 0.4363562654970581 Energy: 0.46174008937652355 Energy: 0.4363562654980289 Energy: 0.4070363194396854 Energy: 0.4274498031631018 Energy: 0.407036319440009 Energy: 0.42744980316342546 Energy: 0.40703631943936175 Energy: 0.4274498031631018 Energy: 0.45295044387928995 Energy: 0.3750823533532554 Energy: 0.45295044391682654 Energy: 0.3750823533532554 Energy: 0.45295044392879946 Energy: 0.3750823533545497 Energy: 0.5687836401583781 Energy: 0.45175739514335805 Energy: 0.568783640159349 Energy: 0.4517573951427109 Energy: 0.5687836401590254 Energy: 0.4517573951446524 minimum gb energy = 0.3543332915030083 eV minimum distance = 2.65121888384759 Angstroms sigma value = 57 ======================================== theta = 99.36891557845483 ======================================== Energy: 0.5725999178052111 Energy: 0.34563728698769913 Energy: 0.5725999178046843 Energy: 0.34563728699770996 Energy: 0.5725999178041574 Energy: 0.3456372869924411 Energy: 0.42216074705304885 Energy: 0.39760039560162097 Energy: 0.4221607470546294 Energy: 0.39760039560162097 Energy: 0.422160747051995 Energy: 0.39760039560109406 Energy: 0.4091263441782256 Energy: 0.4014949667148082 Energy: 0.40912634417769866 Energy: 0.4014949667148082 Energy: 0.4091263441771718 Energy: 0.4014949667153351 Energy: 0.42146198631677406 Energy: 0.3853621411248115 Energy: 0.42146198633679566 Energy: 0.3853621411248115 Energy: 0.4214619863646726 Energy: 0.3853621411248115 Energy: 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Energy: 0.5072050957073363 Energy: 0.5172925080556446 Energy: 0.5072050957062826 Energy: 0.5172925080561716 Energy: 0.5072050957083901 Energy: 0.3563860516856417 Energy: 0.40914910233563634 Energy: 0.3563860516840611 Energy: 0.4091491023029695 Energy: 0.35638605168458803 Energy: 0.4091491023409051 Energy: 0.339671288443825 Energy: 0.390453851904619 Energy: 0.3396712884432981 Energy: 0.390453851904619 Energy: 0.339671288443825 Energy: 0.39045385190514587 Energy: 0.40003980284410157 Energy: 0.42672195905256943 Energy: 0.40003980284304774 Energy: 0.42672195905098875 Energy: 0.4000398028456822 Energy: 0.42672195905520394 Energy: 0.3965005682408191 Energy: 0.4399208842930095 Energy: 0.3965005682402922 Energy: 0.43992088428932136 Energy: 0.3965005682402922 Energy: 0.43992088428668696 Energy: 0.4042616588386256 Energy: 0.4175575199918212 Energy: 0.4042616588380987 Energy: 0.4175575199918212 Energy: 0.4042616588386256 Energy: 0.41755751999129426 Energy: 0.4068122713021811 Energy: 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0.35461726001535004 Energy: 0.35041804308694074 Energy: 0.3546172600148232 Energy: 0.3504180430864139 Energy: 0.3546172600148232 Energy: 0.4063495935191676 Energy: 0.4416389852795396 Energy: 0.4063495935175869 Energy: 0.4416389852805933 Energy: 0.40634959351811384 Energy: 0.44163898527321693 Energy: 0.4385175793063121 Energy: 0.47977560208092673 Energy: 0.43851757930736585 Energy: 0.4797756020814536 Energy: 0.43851757930736585 Energy: 0.47977560208092673 Energy: 0.3449535450511217 Energy: 0.3551102384183211 Energy: 0.3449535450527023 Energy: 0.35511023841937495 Energy: 0.3449535450563905 Energy: 0.35511023841937495 Energy: 0.3796887998659831 Energy: 0.4336417832509795 Energy: 0.3796887998670369 Energy: 0.43364178325045266 Energy: 0.37968879986651 Energy: 0.43364178324939884 minimum gb energy = 0.3292912588765798 eV minimum distance = 2.65869902615248 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 0.53296395848129 Energy: 0.3123632719934352 Energy: 0.53296395848129 Energy: 0.3123632719934352 Energy: 0.5329639584816739 Energy: 0.31236327199381914 Energy: 0.3766872024744779 Energy: 0.35504103610550014 Energy: 0.3766872024763973 Energy: 0.3550410361047323 Energy: 0.376687202474094 Energy: 0.35504103610550014 Energy: 0.36335227132044484 Energy: 0.3527312076219927 Energy: 0.3633522713219803 Energy: 0.35273120762391214 Energy: 0.36335227132044484 Energy: 0.35273120762391214 Energy: 0.43540178131183827 Energy: 0.33866508104994775 Energy: 0.43540178130531215 Energy: 0.33866508104111825 Energy: 0.4354017813129899 Energy: 0.3386650810487961 Energy: 0.44450252441142346 Energy: 0.3479951775073719 Energy: 0.44450252441180726 Energy: 0.3479951775073719 Energy: 0.44450252441180726 Energy: 0.3479951775073719 Energy: 0.3300561882609165 Energy: 0.29635229112235584 Energy: 0.33005618826168426 Energy: 0.2963522911281142 Energy: 0.33005618826130034 Energy: 0.2963522911231236 Energy: 0.401336679220156 Energy: 0.3554724879248177 Energy: 0.40133667921708494 Energy: 0.35547248792750497 Energy: 0.4013366792228432 Energy: 0.35547248792827274 Energy: 0.46249949512676397 Energy: 0.39802611452367775 Energy: 0.4624994951282995 Energy: 0.39802611452329384 Energy: 0.46249949512676397 Energy: 0.39802611452367775 Energy: 0.3178623986194709 Energy: 0.3033508835548937 Energy: 0.31786239861908705 Energy: 0.3033508835518226 Energy: 0.31786239861908705 Energy: 0.30335088355220646 Energy: 0.3606472998572787 Energy: 0.34421408208712734 Energy: 0.36064729985881433 Energy: 0.34421408208751125 Energy: 0.36064729985343985 Energy: 0.3442140820901985 Energy: 0.4232772425830797 Energy: 0.39334198916442564 Energy: 0.4232772425876514 Energy: 0.39334198916442564 Energy: 0.4232772425838474 Energy: 0.3933419891640417 Energy: 0.35854097973206256 Energy: 0.29839686022828826 Energy: 0.3585409797324464 Energy: 0.2983968602267527 Energy: 0.35854097973167864 Energy: 0.29839686022713663 Energy: 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0.29769305716011046 Energy: 0.3454220013574107 Energy: 0.29769305716471717 Energy: 0.3454220013558751 Energy: 0.29769305718698275 Energy: 0.34542200135817847 Energy: 0.4167186039527609 Energy: 0.4251155664815042 Energy: 0.41671860395199317 Energy: 0.42511556648035254 Energy: 0.41671860395237703 Energy: 0.42511556648073645 Energy: 0.35284409575891884 Energy: 0.3370314238448881 Energy: 0.35284409576007064 Energy: 0.33703142385525314 Energy: 0.3528440957593028 Energy: 0.33703142386369866 Energy: 0.3624912200002289 Energy: 0.36075642498008786 Energy: 0.3624912200021484 Energy: 0.36075642497049054 Energy: 0.36249122000099665 Energy: 0.36075642497087446 Energy: 0.37072243113615133 Energy: 0.367747854101899 Energy: 0.37072243113615133 Energy: 0.367747854101515 Energy: 0.37072243113423187 Energy: 0.367747854101515 Energy: 0.3910827136910605 Energy: 0.3902995837052199 Energy: 0.3910827136910605 Energy: 0.3902995836852575 Energy: 0.3910827136902927 Energy: 0.39029958369408707 Energy: 0.3470450477519093 Energy: 0.36264416320978354 Energy: 0.347045047753061 Energy: 0.3626441632163097 Energy: 0.34704504775229317 Energy: 0.3626441632155419 Energy: 0.34560548771752087 Energy: 0.33798866041381204 Energy: 0.34560548771752087 Energy: 0.33798866041381204 Energy: 0.3456054877179047 Energy: 0.33798866041381204 Energy: 0.34132194706064717 Energy: 0.42242060878536114 Energy: 0.3413219470683249 Energy: 0.4224206087865128 Energy: 0.34132194705911156 Energy: 0.42242060878843224 Energy: 0.34400597880048056 Energy: 0.45232714461643786 Energy: 0.34400597880009665 Energy: 0.4523271446156701 Energy: 0.34400597880048056 Energy: 0.452327144616054 Energy: 0.29413805848984603 Energy: 0.3173558432341751 Energy: 0.2941380584894622 Energy: 0.3173558432341751 Energy: 0.2941380584890783 Energy: 0.3173558432341751 Energy: 0.3459304016513905 Energy: 0.4407930306684148 Energy: 0.3459304016513905 Energy: 0.4407930306684148 Energy: 0.3459304016513905 Energy: 0.44079303066879866 Energy: 0.34824558680474715 Energy: 0.4868144613609899 Energy: 0.34824558680474715 Energy: 0.48681446134294704 Energy: 0.348245586805131 Energy: 0.4868144613644449 Energy: 0.29402236706938145 Energy: 0.3125231042893601 Energy: 0.29402236706976537 Energy: 0.3125231042893601 Energy: 0.29402236707130086 Energy: 0.31252310428974395 Energy: 0.3553217320926307 Energy: 0.3599812352894737 Energy: 0.35532173209301454 Energy: 0.35998123529062537 Energy: 0.3553217320918629 Energy: 0.35998123529254483 Energy: 0.4022509223355103 Energy: 0.4187755940251312 Energy: 0.4022509223351264 Energy: 0.4187755940232118 Energy: 0.4022509223358942 Energy: 0.4187755940228279 Energy: 0.29948525546784743 Energy: 0.3519826765065417 Energy: 0.2994852554705347 Energy: 0.3519826765065417 Energy: 0.2994852554705347 Energy: 0.3519826765065417 Energy: 0.31543119653470286 Energy: 0.36020261165100365 Energy: 0.31543119653470286 Energy: 0.36020261164985196 Energy: 0.31543119653470286 Energy: 0.36020261165061973 minimum gb energy = 0.29402236706938145 eV minimum distance = 2.65999864363225 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.16537587960542716 Energy: 0.17312814894948372 Energy: 0.06552796097997159 Energy: 0.17312814894962797 Energy: 0.16537587960528294 Energy: 0.173128148949067 Energy: 0.4277162455908833 Energy: 0.0661311981782449 Energy: 0.4277162455906109 Energy: 0.06613119817739538 Energy: 0.42771624559075505 Energy: 0.06613119817725112 Energy: 0.4739035813830234 Energy: 0.06610459930407553 Energy: 0.47390358138260674 Energy: 0.06610459930436405 Energy: 0.47390358138287914 Energy: 0.06610459930535781 Energy: 0.06552796097982733 Energy: 0.173128148950189 Energy: 0.06552796097982733 Energy: 0.17312814894990047 Energy: 0.06552796097982733 Energy: 0.17312814894990047 Energy: 0.42771624558976135 Energy: 0.06613119817936688 Energy: 0.4277162455896171 Energy: 0.06613119817851737 Energy: 0.42771624558976135 Energy: 0.06613119817978362 Energy: 0.47390358138331196 Energy: 0.06610459930450831 Energy: 0.47390358138275096 Energy: 0.06610459930492504 Energy: 0.4739035813830234 Energy: 0.0661045993050693 Energy: 0.16537587960613243 Energy: 0.17312814894892276 Energy: 0.06552796097982733 Energy: 0.173128148949067 Energy: 0.16537587960613243 Energy: 0.17312814894933948 Energy: 0.4277162455903224 Energy: 0.06613119817922262 Energy: 0.42771624559004984 Energy: 0.06613119817978362 Energy: 0.4277162455901781 Energy: 0.06613119818048886 Energy: 0.47390358138231825 Energy: 0.06610459930535781 Energy: 0.47390358138231825 Energy: 0.06610459930548604 Energy: 0.47390358138231825 Energy: 0.06610459930577456 Energy: 0.06552796097982733 Energy: 0.17312814894933948 Energy: 0.06552796097997159 Energy: 0.17312814894933948 Energy: 0.06552796097997159 Energy: 0.17312814894933948 minimum gb energy = 0.06552796097982733 eV minimum distance = 2.75315085261211 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 0.443046142489623 Energy: 0.2904220004826545 Energy: 0.4430461424879346 Energy: 0.2904220004826545 Energy: 0.4430461424879346 Energy: 0.2904220004826545 Energy: 0.33088902681714283 Energy: 0.3160070777758291 Energy: 0.33088902682051957 Energy: 0.3160070777758291 Energy: 0.33088902681714283 Energy: 0.3160070777758291 Energy: 0.32905620712179356 Energy: 0.3157831291251298 Energy: 0.3290562071213715 Energy: 0.3157831291242856 Energy: 0.3290562071226378 Energy: 0.3157831291251298 Energy: 0.37522146775285775 Energy: 0.3163231412819625 Energy: 0.37522146775285775 Energy: 0.3163231412819625 Energy: 0.37522146775327986 Energy: 0.3163231412819625 Energy: 0.33694609450281043 Energy: 0.3495049959530226 Energy: 0.33694609450281043 Energy: 0.3495049959538668 Energy: 0.33694609450281043 Energy: 0.3495049959538668 Energy: 0.3565893510402377 Energy: 0.35420732816275025 Energy: 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0.3704398217547021 Energy: 0.3498616863561778 Energy: 0.3704398217517474 Energy: 0.3498616863515348 Energy: 0.38352708063414787 Energy: 0.34811309724736755 Energy: 0.38352708063414787 Energy: 0.34811309724778966 Energy: 0.38352708063372576 Energy: 0.34811309724778966 Energy: 0.34166544190529724 Energy: 0.2847317872275765 Energy: 0.34166544190529724 Energy: 0.2847317872284207 Energy: 0.34166544190529724 Energy: 0.2847317872271544 Energy: 0.3666047925267992 Energy: 0.3353998575541702 Energy: 0.3666047925263771 Energy: 0.3353998575541702 Energy: 0.3666047925267992 Energy: 0.33539985755459223 minimum gb energy = 0.2847317872271544 eV minimum distance = 2.6750470785333 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 0.42958937040359235 Energy: 0.36437293924404174 Energy: 0.4295893704053967 Energy: 0.36437293924404174 Energy: 0.4295893704047952 Energy: 0.36437293924404174 Energy: 0.39220541781831103 Energy: 0.3763036266350807 Energy: 0.39220541781831103 Energy: 0.3763036266350807 Energy: 0.39220541781710816 Energy: 0.3763036266350807 Energy: 0.43322234741772614 Energy: 0.37723777882740955 Energy: 0.4332223474171246 Energy: 0.37723777882740955 Energy: 0.43322234741832755 Energy: 0.37723777882740955 Energy: 0.42659432070461034 Energy: 0.36657023857704585 Energy: 0.42659432070581327 Energy: 0.36657023857704585 Energy: 0.42659432070461034 Energy: 0.36657023857704585 Energy: 0.38820263875770866 Energy: 0.42201197796949186 Energy: 0.3882026387583101 Energy: 0.42201197796949186 Energy: 0.3882026387583101 Energy: 0.4220119779700933 Energy: 0.41491992052033116 Energy: 0.42450346491655505 Energy: 0.4149199205215341 Energy: 0.42450346491655505 Energy: 0.41491992052093263 Energy: 0.42450346491655505 Energy: 0.33831064924626114 Energy: 0.4210726877104285 Energy: 0.33831064924746396 Energy: 0.4210726877104285 Energy: 0.33831064924746396 Energy: 0.4210726877104285 Energy: 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0.37516919674308014 Energy: 0.4234298560344349 Energy: 0.37516919674308014 Energy: 0.4234298560344349 Energy: 0.37516919674308014 Energy: 0.4234298560338335 Energy: 0.37385293842875283 Energy: 0.38097158678730486 Energy: 0.37385293842932693 Energy: 0.3809715867891092 Energy: 0.37385293842932693 Energy: 0.38097158678730486 Energy: 0.38118210173545763 Energy: 0.39522380026195597 Energy: 0.3811821017348561 Energy: 0.39522380026195597 Energy: 0.38118210173545763 Energy: 0.39522380026195597 Energy: 0.37409253371774365 Energy: 0.37714133899336794 Energy: 0.3740925337189465 Energy: 0.37714133899336794 Energy: 0.37409253371834517 Energy: 0.37714133899336794 Energy: 0.42075552613564643 Energy: 0.4080560703166114 Energy: 0.42075552613564643 Energy: 0.4080560703166114 Energy: 0.42075552613564643 Energy: 0.4080560703166114 Energy: 0.37615646197874547 Energy: 0.43146218238289524 Energy: 0.37615646197333247 Energy: 0.4314621823834967 Energy: 0.37615646197633973 Energy: 0.4314621823834967 Energy: 0.40414170320812465 Energy: 0.42457274711956094 Energy: 0.40414170320812465 Energy: 0.42457274712016246 Energy: 0.40414170320812465 Energy: 0.4245727471183582 Energy: 0.49251093486301967 Energy: 0.3933067022337338 Energy: 0.49251093486181674 Energy: 0.3933067022337338 Energy: 0.49251093486301967 Energy: 0.3933067022337338 Energy: 0.4490159279825249 Energy: 0.4712784735419883 Energy: 0.4490159279825249 Energy: 0.4712784735419883 Energy: 0.4490159279825249 Energy: 0.4712784735413869 Energy: 0.40481055966548407 Energy: 0.34215307675205653 Energy: 0.40481055966548407 Energy: 0.34215307675205653 Energy: 0.40481055966488255 Energy: 0.34215307675205653 minimum gb energy = 0.33831064924626114 eV minimum distance = 2.72994101631686 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 0.4663983901941727 Energy: 0.3677585423197375 Energy: 0.46639839019455415 Energy: 0.3677585423197375 Energy: 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Energy: 0.4649832616610187 Energy: 0.4735845794496641 Energy: 0.48779991652879323 Energy: 0.47358457945119026 Energy: 0.48779991652764865 Energy: 0.4735845794500456 Energy: 0.4877999165280301 Energy: 0.4234594509889404 Energy: 0.46496159415616645 Energy: 0.423459450989322 Energy: 0.4649615941557849 Energy: 0.4234594509885589 Energy: 0.4649615941557849 Energy: 0.4772457523407348 Energy: 0.46471507371340126 Energy: 0.4772457523403532 Energy: 0.4647150737137828 Energy: 0.4772457523414979 Energy: 0.4647150737137828 Energy: 0.4171729512909844 Energy: 0.4650587955670597 Energy: 0.4171729512909844 Energy: 0.46505879556896745 Energy: 0.41717295129174753 Energy: 0.46505879556667823 Energy: 0.4279354607385841 Energy: 0.4411100984887778 Energy: 0.4279354607382025 Energy: 0.44111009848839633 Energy: 0.4279354607389656 Energy: 0.4411100984887778 Energy: 0.4168117327605288 Energy: 0.3714894104350197 Energy: 0.4168117327601472 Energy: 0.3714894104342566 Energy: 0.4168117327605288 Energy: 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Energy: 0.4128304127283895 Energy: 0.46471016257471426 Energy: 0.41283041272877113 Energy: 0.4647101625754773 Energy: 0.41283041272800797 Energy: 0.4647101625754773 Energy: 0.42843044253905754 Energy: 0.4344887709513907 Energy: 0.42843044253867596 Energy: 0.4344887709513907 Energy: 0.42843044253905754 Energy: 0.4344887709513907 Energy: 0.4778608847152047 Energy: 0.571834520139101 Energy: 0.4778608847152047 Energy: 0.5718345201394824 Energy: 0.4778608847155862 Energy: 0.571834520139101 Energy: 0.47448066388015964 Energy: 0.4118954010857797 Energy: 0.47448066388092275 Energy: 0.41189540108387196 Energy: 0.47448066388092275 Energy: 0.41189540108387196 Energy: 0.42588855010166676 Energy: 0.4665716864217956 Energy: 0.4258885501001406 Energy: 0.46657168642103247 Energy: 0.4258885501012852 Energy: 0.46657168642103247 Energy: 0.5762199589933691 Energy: 0.5006878159397918 Energy: 0.5762199589941323 Energy: 0.5006878159401734 Energy: 0.5762199589933691 Energy: 0.5006878159397918 Energy: 0.4343333867901748 Energy: 0.47451703161973613 Energy: 0.4343333867901748 Energy: 0.47451703161935466 Energy: 0.4343333867894117 Energy: 0.47451703161973613 Energy: 0.5069629056289875 Energy: 0.4683688959353137 Energy: 0.5069629056297507 Energy: 0.4683688959353137 Energy: 0.5069629056297507 Energy: 0.4683688959356952 Energy: 0.43593153985545013 Energy: 0.4127225931572698 Energy: 0.43593153985545013 Energy: 0.4127225931572698 Energy: 0.43593153985545013 Energy: 0.4127225931576513 Energy: 0.42613359863733985 Energy: 0.41533817972728393 Energy: 0.42613359863810285 Energy: 0.4153381797269024 Energy: 0.42613359863733985 Energy: 0.4153381797269024 Energy: 0.5041347038274311 Energy: 0.368779552306989 Energy: 0.5041347038281943 Energy: 0.368779552306989 Energy: 0.5041347038274311 Energy: 0.368779552306989 Energy: 0.42787901004826967 Energy: 0.40599362822424934 Energy: 0.4278790100490327 Energy: 0.40599362822386775 Energy: 0.42787901004941425 Energy: 0.40599362822424934 minimum gb energy = 0.3677585423197375 eV minimum distance = 2.70038867304832 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.5519328779659529 Energy: 0.4386978136968416 Energy: 0.5519328779659529 Energy: 0.4386978136968416 Energy: 0.5519328779659529 Energy: 0.4386978136968416 Energy: 0.5095273250725366 Energy: 0.4867776928495891 Energy: 0.5095273250725366 Energy: 0.4867776928495891 Energy: 0.5095273250725366 Energy: 0.4867776928495891 Energy: 0.5646017880484275 Energy: 0.4877081470254199 Energy: 0.5646017880484275 Energy: 0.48770814702646165 Energy: 0.5646017880484275 Energy: 0.48770814702854515 Energy: 0.4897595310801791 Energy: 0.5547527334928517 Energy: 0.4897595310791374 Energy: 0.5547527334928517 Energy: 0.4897595310801791 Energy: 0.5547527334928517 Energy: 0.552072921492451 Energy: 0.4838603280153954 Energy: 0.552072921492451 Energy: 0.4838603280153954 Energy: 0.5520729214914093 Energy: 0.4838603280153954 Energy: 0.6276769151525023 Energy: 0.5023255404380507 Energy: 0.6276769151514606 Energy: 0.5023255404401342 Energy: 0.6276769151514606 Energy: 0.5023255404390925 Energy: 0.47268242853294373 Energy: 0.5000236667586379 Energy: 0.47268242853294373 Energy: 0.5000236667586379 Energy: 0.47268242853294373 Energy: 0.5000236667596795 Energy: 0.4744186494517921 Energy: 0.5428627747668482 Energy: 0.4744186494517921 Energy: 0.5428627747668482 Energy: 0.4744186494517921 Energy: 0.5428627747668482 Energy: 0.4627202242876903 Energy: 0.45243522804620023 Energy: 0.4627202242866485 Energy: 0.45243522804515857 Energy: 0.4627202242876903 Energy: 0.45243522804620023 Energy: 0.6162653804322133 Energy: 0.4411821547351924 Energy: 0.6162653804322133 Energy: 0.4411821547351924 Energy: 0.6162653804322133 Energy: 0.4411821547351924 Energy: 0.5083177274396604 Energy: 0.4876669187882556 Energy: 0.5083177274396604 Energy: 0.48766691878617213 Energy: 0.5083177274386425 Energy: 0.4876669187882556 Energy: 0.4832538559149345 Energy: 0.4872492583944312 Energy: 0.4832538559149345 Energy: 0.4872492583944312 Energy: 0.4832538559149345 Energy: 0.4872492583944312 Energy: 0.5443783346082742 Energy: 0.5554594695930984 Energy: 0.5443783346082742 Energy: 0.5554594695930984 Energy: 0.5443783346082742 Energy: 0.5554594695930984 Energy: 0.5537396561533947 Energy: 0.4975247081659902 Energy: 0.5537396561533947 Energy: 0.4975247081659902 Energy: 0.553739656152353 Energy: 0.4975247081659902 minimum gb energy = 0.4386978136968416 eV minimum distance = 2.70649936241205 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 0.5417850388388263 Energy: 0.5500372566659237 Energy: 0.5417850388392839 Energy: 0.5500372566654661 Energy: 0.5417850388388263 Energy: 0.5500372566654661 Energy: 0.5743162217579731 Energy: 0.5466909314517955 Energy: 0.5743162217579731 Energy: 0.5466909314517955 Energy: 0.5743162217584307 Energy: 0.5466909314513377 Energy: 0.554127275910409 Energy: 0.5463782526710487 Energy: 0.5541272759094938 Energy: 0.5463782526696758 Energy: 0.5541272759094938 Energy: 0.546378252670591 Energy: 0.5837147267884177 Energy: 0.5216952464973494 Energy: 0.5837147267879601 Energy: 0.5216952464973494 Energy: 0.5837147267879601 Energy: 0.5216952464973494 Energy: 0.5742164777948416 Energy: 0.5606542865172607 Energy: 0.5742164777948416 Energy: 0.5606542865181758 Energy: 0.5742164777943841 Energy: 0.5606542865181758 Energy: 0.5153581618272046 Energy: 0.543827985732137 Energy: 0.51535816182812 Energy: 0.5438279857325946 Energy: 0.5153581618276623 Energy: 0.5438279857325946 Energy: 0.5443136505253895 Energy: 0.524918089992214 Energy: 0.5443136505253895 Energy: 0.524918089992214 Energy: 0.5443136505253895 Energy: 0.524918089992214 Energy: 0.5581111141233545 Energy: 0.5090707653766549 Energy: 0.5581111141228969 Energy: 0.5090707653766549 Energy: 0.5581111141238121 Energy: 0.5090707653766549 Energy: 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0.48284267769204825 Energy: 0.4959843443439003 Energy: 0.48284267769204825 Energy: 0.4959843443439003 Energy: 0.5524943476750671 Energy: 0.5505961649983552 Energy: 0.5524943476741518 Energy: 0.5505961649983552 Energy: 0.5524943476741518 Energy: 0.5505961649983552 Energy: 0.5212588816662942 Energy: 0.5464621302420244 Energy: 0.5212588816644638 Energy: 0.5464621302415668 Energy: 0.5212588816649214 Energy: 0.5464621302420244 Energy: 0.5576387275652608 Energy: 0.5466019822352246 Energy: 0.5576387275652608 Energy: 0.5466019822352246 Energy: 0.5576387275652608 Energy: 0.5466019822352246 Energy: 0.5465670163075814 Energy: 0.5783442440993313 Energy: 0.5465670163080392 Energy: 0.5783442440993313 Energy: 0.5465670163080392 Energy: 0.5783442440997889 Energy: 0.5210332141588251 Energy: 0.5868168662726437 Energy: 0.5210332141592826 Energy: 0.5868168662726437 Energy: 0.5210332141583673 Energy: 0.5868168662726437 Energy: 0.5173376492849465 Energy: 0.5387573769755517 Energy: 0.5173376492840313 Energy: 0.5387573769755517 Energy: 0.5173376492844889 Energy: 0.5387573769755517 Energy: 0.5523361622712947 Energy: 0.538275288178237 Energy: 0.5523361622717523 Energy: 0.538275288178237 Energy: 0.5523361622717523 Energy: 0.538275288178237 Energy: 0.5046536629718651 Energy: 0.5597533723327938 Energy: 0.5046536629718651 Energy: 0.5597533723323361 Energy: 0.5046536629718651 Energy: 0.5597533723332514 Energy: 0.489364016622309 Energy: 0.48746780993208605 Energy: 0.4893640166218514 Energy: 0.4874678099297979 Energy: 0.4893640166218514 Energy: 0.48746780993071315 Energy: 0.5667228117385456 Energy: 0.5723729001966763 Energy: 0.566722811738088 Energy: 0.5723729001966763 Energy: 0.566722811738088 Energy: 0.5723729001966763 minimum gb energy = 0.48284267769159067 eV minimum distance = 2.66189658431108 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 0.4966068421792361 Energy: 0.4132810405845667 Energy: 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0.4966068421792361 Energy: 0.4132810405845667 Energy: 0.5724827162684211 Energy: 0.516657827337501 Energy: 0.5724827162684211 Energy: 0.5166578273366866 Energy: 0.5724827162684211 Energy: 0.5166578273391111 Energy: 0.5412305029351795 Energy: 0.5726916487374715 Energy: 0.5412305029351795 Energy: 0.5726916487374715 Energy: 0.5412305029351795 Energy: 0.5726916487374715 Energy: 0.5178667006001458 Energy: 0.47345677314457424 Energy: 0.5178667005993315 Energy: 0.4734567745462796 Energy: 0.5178667005993315 Energy: 0.47345677271887116 Energy: 0.5411567643577795 Energy: 0.5727168483881123 Energy: 0.5411567643577795 Energy: 0.5727168483881123 Energy: 0.5411567643577795 Energy: 0.5727168483881123 minimum gb energy = 0.4132810405845667 eV minimum distance = 2.67612779464038 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 0.5078283480599317 Energy: 0.5852842368066161 Energy: 0.5078283480592668 Energy: 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0.5103734904112696 Energy: 0.5344908407890006 Energy: 0.5591457175318719 Energy: 0.6110548403771667 Energy: 0.5591457175418457 Energy: 0.6110548403778316 Energy: 0.5591457175411808 Energy: 0.6110548403771667 Energy: 0.6858586398788911 Energy: 0.5516604126784991 Energy: 0.685858639879556 Energy: 0.5516604126751744 Energy: 0.685858639879556 Energy: 0.5516604126817933 Energy: 0.5090762223883416 Energy: 0.5223236430650359 Energy: 0.5090762223863468 Energy: 0.5223236430650359 Energy: 0.5090762223876766 Energy: 0.5223236430650359 Energy: 0.5627757421808037 Energy: 0.5503822866649372 Energy: 0.5627757421814686 Energy: 0.5503822866649372 Energy: 0.5627757421814686 Energy: 0.5503822866649372 Energy: 0.5546295824401017 Energy: 0.5018877255503378 Energy: 0.5546295824401017 Energy: 0.5018877255503378 Energy: 0.5546295824401017 Energy: 0.5018877255503378 Energy: 0.5395563076736821 Energy: 0.6501057669960844 Energy: 0.5395563076750121 Energy: 0.6501057669960844 Energy: 0.5395563076736821 Energy: 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0.5726340540660315 Energy: 0.5827679548200981 Energy: 0.5726340540666963 Energy: 0.5827679548194332 Energy: 0.5726340540660315 Energy: 0.5827679548200981 Energy: 0.5571434170109578 Energy: 0.5012123432416736 Energy: 0.5571434170116226 Energy: 0.5012123432416736 Energy: 0.5571434170116226 Energy: 0.5012123432416736 minimum gb energy = 0.5012123432416736 eV minimum distance = 2.68401525174417 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 0.4929942665552549 Energy: 0.6005666330827929 Energy: 0.4929942665552549 Energy: 0.6005666330827929 Energy: 0.4929942665552549 Energy: 0.6005666330833533 Energy: 0.5317876266687018 Energy: 0.5067206921993805 Energy: 0.5317876266692623 Energy: 0.5067206921993805 Energy: 0.5317876266687018 Energy: 0.5067206921993805 Energy: 0.5497665822607485 Energy: 0.4873630436686182 Energy: 0.5497665822618695 Energy: 0.48736304366693683 Energy: 0.5497665822613089 Energy: 0.4873630436686182 Energy: 0.4555866274775584 Energy: 0.4928224936725271 Energy: 0.4555866274764629 Energy: 0.492822493674769 Energy: 0.4555866274759024 Energy: 0.4928224936725271 Energy: 0.45652964186234396 Energy: 0.5869389378326103 Energy: 0.4565296418629044 Energy: 0.5869389378331709 Energy: 0.4565296418617835 Energy: 0.5869389378326103 Energy: 0.6055901480904916 Energy: 0.49169240344319787 Energy: 0.605590148092173 Energy: 0.4916924034437584 Energy: 0.6055901480904916 Energy: 0.4916924034437584 Energy: 0.5070030098372406 Energy: 0.5319077246245 Energy: 0.50700300983668 Energy: 0.5319077246250605 Energy: 0.5070030098372406 Energy: 0.5319077246261814 Energy: 0.4929651691775625 Energy: 0.5495851202068528 Energy: 0.492965169177002 Energy: 0.5495851202062922 Energy: 0.49296516917812294 Energy: 0.5495851202068528 Energy: 0.5896884393555308 Energy: 0.4575674185800418 Energy: 0.5896884393560914 Energy: 0.4575674185794813 Energy: 0.5896884393560914 Energy: 0.4575674185800418 Energy: 0.5020436030983427 Energy: 0.6258546567550589 Energy: 0.5020436030972217 Energy: 0.6258546567550589 Energy: 0.5020436030989032 Energy: 0.6258546567550589 Energy: 0.503220103250892 Energy: 0.6146190555521662 Energy: 0.5032201032520128 Energy: 0.6146190555521662 Energy: 0.5032201032514524 Energy: 0.6146190555521662 Energy: 0.5325643892004935 Energy: 0.47059889019923107 Energy: 0.5325643892004935 Energy: 0.47059889019923107 Energy: 0.5325643892004935 Energy: 0.47059889019979156 Energy: 0.5391345430561532 Energy: 0.4942110390604886 Energy: 0.5391345430561532 Energy: 0.49421103905936764 Energy: 0.5391345430567136 Energy: 0.4942110390604886 Energy: 0.4561481881611959 Energy: 0.5920046518032869 Energy: 0.45614818816175634 Energy: 0.592004651804408 Energy: 0.45614818816175634 Energy: 0.5920046518032869 Energy: 0.607603650523904 Energy: 0.49123779779966054 Energy: 0.6076036505250249 Energy: 0.49123779779966054 Energy: 0.607603650523904 Energy: 0.49123779779966054 Energy: 0.5082051737043076 Energy: 0.5677321368114775 Energy: 0.5082051737037472 Energy: 0.5677321368114775 Energy: 0.5082051737043076 Energy: 0.5677321368103566 Energy: 0.47039863167699314 Energy: 0.5257569110458024 Energy: 0.47039863167699314 Energy: 0.5257569110452419 Energy: 0.47039863167699314 Energy: 0.5257569110458024 Energy: 0.492816433067588 Energy: 0.490927157577299 Energy: 0.4928164330703904 Energy: 0.490927157577299 Energy: 0.492816433068709 Energy: 0.490927157577299 Energy: 0.5406147353037535 Energy: 0.4584973066985104 Energy: 0.540614735303193 Energy: 0.4584973066990709 Energy: 0.540614735303193 Energy: 0.4584973066990709 Energy: 0.4929942665552549 Energy: 0.6005666330839139 Energy: 0.4929942665558154 Energy: 0.6005666330844742 Energy: 0.4929942665558154 Energy: 0.6005666330839139 Energy: 0.5317876266675808 Energy: 0.506720692199941 Energy: 0.53178762666646 Energy: 0.506720692199941 Energy: 0.5317876266703833 Energy: 0.506720692199941 Energy: 0.54976658226243 Energy: 0.4873630436686182 Energy: 0.54976658226243 Energy: 0.4873630436691787 Energy: 0.5497665822618695 Energy: 0.4873630436686182 Energy: 0.45558662747534195 Energy: 0.4928224936714061 Energy: 0.4555866274759024 Energy: 0.49282249367084563 Energy: 0.45558662747534195 Energy: 0.4928224936714061 Energy: 0.456529641861223 Energy: 0.5869389378348523 Energy: 0.4565296418617835 Energy: 0.5869389378348523 Energy: 0.4565296418606625 Energy: 0.5869389378348523 Energy: 0.6055901480882498 Energy: 0.49169240344263737 Energy: 0.6055901480910522 Energy: 0.49169240344263737 Energy: 0.6055901480916127 Energy: 0.49169240344263737 minimum gb energy = 0.45558662747534195 eV minimum distance = 2.69134841536454 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 0.4607434925022782 Energy: 0.5780626664076134 Energy: 0.4607434925022782 Energy: 0.5780626664080972 Energy: 0.4607434925022782 Energy: 0.5780626664090649 Energy: 0.6151556972498485 Energy: 0.5142013540172536 Energy: 0.6151556972498485 Energy: 0.5142013540167699 Energy: 0.6151556972498485 Energy: 0.5142013540167699 Energy: 0.6361606739848583 Energy: 0.4669494705558932 Energy: 0.6361606739848583 Energy: 0.4669494705558932 Energy: 0.6361606739863097 Energy: 0.466949470556377 Energy: 0.46253179146538015 Energy: 0.6267996923630196 Energy: 0.46253179146538015 Energy: 0.6267996923630196 Energy: 0.46253179146538015 Energy: 0.6267996923630196 Energy: 0.5100704081729907 Energy: 0.5341685067327192 Energy: 0.5100704081729907 Energy: 0.5341685067317515 Energy: 0.5100704081734745 Energy: 0.5341685067288489 Energy: 0.5840361806618264 Energy: 0.4555090272614273 Energy: 0.5840361806618264 Energy: 0.45550902726191106 Energy: 0.5840361806618264 Energy: 0.4555090272614273 Energy: 0.4788908146592827 Energy: 0.6180060352229999 Energy: 0.4788908146587989 Energy: 0.6180060352234837 Energy: 0.4788908146583152 Energy: 0.6180060352229999 Energy: 0.4939314690294291 Energy: 0.6305162785008424 Energy: 0.4939314690289453 Energy: 0.6305162785008424 Energy: 0.4939314690294291 Energy: 0.6305162785013262 Energy: 0.6212374298732916 Energy: 0.4554659528145065 Energy: 0.6212374298737755 Energy: 0.4554659528145065 Energy: 0.6212374298728078 Energy: 0.4554659528145065 Energy: 0.5136845939274112 Energy: 0.519958915201524 Energy: 0.5136845939278949 Energy: 0.5199589151986213 Energy: 0.5136845939274112 Energy: 0.5199589152024916 Energy: 0.4564308734335035 Energy: 0.6054061477764117 Energy: 0.4564308734335035 Energy: 0.6054061477764117 Energy: 0.45643087343301963 Energy: 0.6054061477773792 Energy: 0.6507520313447239 Energy: 0.4646882609102023 Energy: 0.6507520313452075 Energy: 0.4646882609102023 Energy: 0.6507520313442401 Energy: 0.4646882609102023 Energy: 0.5832831447901569 Energy: 0.5345122776997769 Energy: 0.5832831447911244 Energy: 0.5345122777002608 Energy: 0.5832831447901569 Energy: 0.5345122776992931 Energy: 0.4545288814916497 Energy: 0.5937716200603022 Energy: 0.4545288814921335 Energy: 0.5937716200598183 Energy: 0.4545288814921335 Energy: 0.5937716200603022 Energy: 0.5679657869324055 Energy: 0.4563641684190856 Energy: 0.5679657869324055 Energy: 0.45636416842053706 Energy: 0.5679657869319217 Energy: 0.45636416842053706 Energy: 0.6200059958225879 Energy: 0.45574460605668954 Energy: 0.6200059958216203 Energy: 0.45574460605668954 Energy: 0.620005995822104 Energy: 0.45574460605668954 Energy: 0.46816305016583454 Energy: 0.6504335143009796 Energy: 0.4681630501663183 Energy: 0.6504335143004958 Energy: 0.46816305016583454 Energy: 0.6504335143009796 Energy: 0.5834053104454477 Energy: 0.6173738805010063 Energy: 0.5834053104454477 Energy: 0.6173738805010063 Energy: 0.5834053104454477 Energy: 0.61737388050149 Energy: 0.5718888397256527 Energy: 0.4549590643815745 Energy: 0.5718888397261366 Energy: 0.45495906438205824 Energy: 0.5718888397256527 Energy: 0.45495906438254213 Energy: 0.46917752077099 Energy: 0.5832963272828089 Energy: 0.46917752076857105 Energy: 0.5832963272828089 Energy: 0.4691775207690548 Energy: 0.5832963272828089 Energy: 0.46472327548991077 Energy: 0.6468634029839685 Energy: 0.46472327549087844 Energy: 0.6468634029839685 Energy: 0.46472327549039466 Energy: 0.6468634029844523 Energy: 0.6437123580708395 Energy: 0.467025016363062 Energy: 0.6437123580708395 Energy: 0.467025016363062 Energy: 0.6437123580703557 Energy: 0.467025016363062 Energy: 0.5214749259471841 Energy: 0.5366673785483833 Energy: 0.5214749259462165 Energy: 0.5366673785469319 Energy: 0.5214749259457327 Energy: 0.536667378548867 Energy: 0.46693724574153794 Energy: 0.5752302786457831 Energy: 0.46693724574105405 Energy: 0.5752302786457831 Energy: 0.46693724574105405 Energy: 0.5752302786457831 Energy: 0.5998491217808126 Energy: 0.4669134380547398 Energy: 0.5998491217817803 Energy: 0.4669134380547398 Energy: 0.5998491217812966 Energy: 0.4669134380547398 Energy: 0.5507215830523049 Energy: 0.45972018035417717 Energy: 0.5507215829720165 Energy: 0.45972018035417717 Energy: 0.5507215830165039 Energy: 0.45972018035417717 Energy: 0.45990485200257325 Energy: 0.5907642109165079 Energy: 0.4599048520020894 Energy: 0.5907642109165079 Energy: 0.4599048520020894 Energy: 0.5907642109160242 Energy: 0.593054195037294 Energy: 0.5202903991112777 Energy: 0.5930541950368101 Energy: 0.5202903991098264 Energy: 0.5930541950368101 Energy: 0.5202903991103102 Energy: 0.5996498873154087 Energy: 0.4546548038522265 Energy: 0.5996498873168601 Energy: 0.4546548038522265 Energy: 0.5996498873158925 Energy: 0.4546548038527103 minimum gb energy = 0.4545288814916497 eV minimum distance = 2.68269916635141 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 0.452619633116152 Energy: 0.6076824143052337 Energy: 0.452619633116152 Energy: 0.6076824143052337 Energy: 0.45261963311572667 Energy: 0.6076824143052337 Energy: 0.5544244569293267 Energy: 0.4794441824496408 Energy: 0.5544244569323037 Energy: 0.4794441824496408 Energy: 0.5544244569297521 Energy: 0.4794441824496408 Energy: 0.6282731947330941 Energy: 0.4431522568290518 Energy: 0.6282731947326687 Energy: 0.44315225682947706 Energy: 0.6282731947330941 Energy: 0.44315225682947706 Energy: 0.4485870536518202 Energy: 0.665440026497923 Energy: 0.4485870536518202 Energy: 0.665440026497923 Energy: 0.4485870536518202 Energy: 0.665440026497923 Energy: 0.4992736920875993 Energy: 0.5370394652870761 Energy: 0.4992736920880245 Energy: 0.5370394652866508 Energy: 0.499273692087174 Energy: 0.5370394652866508 Energy: 0.6011036829160696 Energy: 0.43744843408834305 Energy: 0.601103682916495 Energy: 0.43744843408834305 Energy: 0.6011036829160696 Energy: 0.43744843408834305 Energy: 0.4805031165149634 Energy: 0.6717077502553112 Energy: 0.4805031165153887 Energy: 0.6717077502553112 Energy: 0.48050311651453814 Energy: 0.6717077502553112 Energy: 0.454156347861624 Energy: 0.6337939369237531 Energy: 0.4541563478620492 Energy: 0.6337939369237531 Energy: 0.4541563478620492 Energy: 0.6337939369233279 Energy: 0.6001790270569932 Energy: 0.4378790450075206 Energy: 0.6001790270569932 Energy: 0.4378790450075206 Energy: 0.6001790270569932 Energy: 0.4378790450075206 Energy: 0.49882606331288953 Energy: 0.5552900829807652 Energy: 0.49882606331288953 Energy: 0.55529008298034 Energy: 0.49882606331288953 Energy: 0.5552900829807652 Energy: 0.44784419383796537 Energy: 0.651890732789829 Energy: 0.44784419383839064 Energy: 0.6518907327894038 Energy: 0.44784419383839064 Energy: 0.651890732789829 Energy: 0.6670419768472176 Energy: 0.45112236218433943 Energy: 0.667041976847643 Energy: 0.4511223621834889 Energy: 0.667041976847643 Energy: 0.45112236218433943 Energy: 0.5699325798152931 Energy: 0.443008249485495 Energy: 0.5699325798161436 Energy: 0.443008249485495 Energy: 0.5699325798161436 Energy: 0.4430082494850697 Energy: 0.4552494000072215 Energy: 0.6094298767017696 Energy: 0.4552494000076468 Energy: 0.6094298767004938 Energy: 0.4552494000072215 Energy: 0.6094298767004938 Energy: 0.505652883776605 Energy: 0.5238704241387665 Energy: 0.5056528837774361 Energy: 0.5238704241391917 Energy: 0.5056528837770302 Energy: 0.5238704241387665 Energy: 0.6326489338961481 Energy: 0.4443121677164656 Energy: 0.6326489338957229 Energy: 0.4443121677164656 Energy: 0.6326489338965734 Energy: 0.4443121677168909 Energy: 0.44781734470539913 Energy: 0.6637596474697101 Energy: 0.4478173447058244 Energy: 0.6637596474697101 Energy: 0.44781734470539913 Energy: 0.6637596474701355 Energy: 0.44742003372590583 Energy: 0.5363150401428919 Energy: 0.44742003372590583 Energy: 0.5363150401428919 Energy: 0.4474200337254806 Energy: 0.5363150401428919 Energy: 0.6122435064896142 Energy: 0.4388187886240453 Energy: 0.6122435064896142 Energy: 0.43881878862362006 Energy: 0.6122435064896142 Energy: 0.43881878862362006 Energy: 0.5065128922097739 Energy: 0.6450472165674659 Energy: 0.5065128922097739 Energy: 0.6450472165674659 Energy: 0.5065128922097739 Energy: 0.6450472165678912 Energy: 0.45510151912363395 Energy: 0.6751842064080119 Energy: 0.4551015191240593 Energy: 0.6751842064075866 Energy: 0.4551015191240593 Energy: 0.6751842064075866 Energy: 0.6297982330731617 Energy: 0.4373610981295347 Energy: 0.629798233073587 Energy: 0.4373610981295347 Energy: 0.6297982330731617 Energy: 0.43736109812996 Energy: 0.5507925517382862 Energy: 0.4367740305046087 Energy: 0.5507925517374356 Energy: 0.4367740305054594 Energy: 0.5507925517382862 Energy: 0.4367740305046087 Energy: 0.44853567529062066 Energy: 0.5957192874082129 Energy: 0.44853567529062066 Energy: 0.5957192874086382 Energy: 0.44853567529062066 Energy: 0.5957192874082129 Energy: 0.5285774342727381 Energy: 0.547767312706771 Energy: 0.5285774342693358 Energy: 0.5477673127063456 Energy: 0.5285774342727381 Energy: 0.5477673127063456 Energy: 0.5714631919222164 Energy: 0.4444030716619121 Energy: 0.5714631919226418 Energy: 0.44440307166233733 Energy: 0.5714631919217912 Energy: 0.4444030716619121 Energy: 0.4851222696081514 Energy: 0.6006591657852813 Energy: 0.48512226960730076 Energy: 0.6006591657886836 Energy: 0.48512226960772603 Energy: 0.6006591657857066 Energy: 0.5071749048419721 Energy: 0.553312939446756 Energy: 0.5071749048423974 Energy: 0.5533129394471813 Energy: 0.5071749048419721 Energy: 0.5533129394471813 Energy: 0.5951057259228347 Energy: 0.44278328988033183 Energy: 0.5951057259232599 Energy: 0.4427832898807571 Energy: 0.5951057259232599 Energy: 0.4427832898807571 Energy: 0.4473134732057335 Energy: 0.6653257296262799 Energy: 0.44731347320530823 Energy: 0.6653257296262799 Energy: 0.4473134732057335 Energy: 0.6653257296258546 Energy: 0.4478936008882909 Energy: 0.5571996342686408 Energy: 0.4478936008878657 Energy: 0.5571996342686408 Energy: 0.4478936008878657 Energy: 0.5571996342686408 Energy: 0.5849194427882086 Energy: 0.4374326224429978 Energy: 0.5849194427877833 Energy: 0.4374326224429978 Energy: 0.5849194427877833 Energy: 0.4374326224429978 Energy: 0.5946193374242734 Energy: 0.4371039874642611 Energy: 0.594619337422147 Energy: 0.4371039874663875 Energy: 0.5946193374229976 Energy: 0.4371039874642611 minimum gb energy = 0.4367740305046087 eV minimum distance = 2.69487484002353 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.011708251019432694 Energy: 0.9230168157524681 Energy: 0.011708251019432694 Energy: 0.9230168157507406 Energy: 0.011708251019432694 Energy: 0.9230168157528215 Energy: 0.01209183734797096 Energy: 0.6737923745275691 Energy: 0.012091837348324317 Energy: 0.6737923745282759 Energy: 0.012091837348324317 Energy: 0.6737923745279225 Energy: 0.9202003399682874 Energy: 0.18707057245007644 Energy: 0.9202200614589356 Energy: 0.18707057244938938 Energy: 0.9201884669691802 Energy: 0.1870705724497231 Energy: 0.01209183734901139 Energy: 0.6737923745289629 Energy: 0.012091837348677668 Energy: 0.6737923745279225 Energy: 0.012091837348677668 Energy: 0.6737923745275691 minimum gb energy = 0.011708251019432694 eV minimum distance = 2.80202620778942 Angstroms sigma value = 1