Model name: model_name=MEAM_LAMMPS_CostaAgrenClavaguera_2007_AlNi__MO_131642768288_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=4.044650778174401 cohesive_energy=3.3602642530493245 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: 0.010383087909515778 Energy: 0.5018814065306296 Energy: 0.01038308790926526 Energy: 0.5018814065306296 Energy: 0.01038308790926526 Energy: 0.5018814065303792 Energy: 0.5018814065306296 Energy: 0.4715002201381056 Energy: 0.5018814065306296 Energy: 0.7158988398307582 Energy: 0.5018814065306296 Energy: 0.7158988398305075 Energy: 0.010383087909515778 Energy: 0.5018814065306296 Energy: 0.01038308790926526 Energy: 0.5018814065303792 Energy: 0.01038308790926526 Energy: 0.5018814065306296 Energy: 0.5018814065306296 Energy: 0.7158988398307582 Energy: 0.5018814065303792 Energy: 0.7158988398305075 Energy: 0.5018814065303792 Energy: 0.7158988398307582 Energy: 0.010383087909515778 Energy: 0.5018814065303792 Energy: 0.01038308790926526 Energy: 0.5018814065306296 Energy: 0.01038308790926526 Energy: 0.5018814065306296 Energy: 0.5018814065303792 Energy: 0.7158988398305075 Energy: 0.5018814065301286 Energy: 0.7158988398305075 Energy: 0.5018814065306296 Energy: 0.7158988398307582 minimum gb energy = 0.01038308790926526 eV minimum distance = 2.60748159211895 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 0.6476400111584645 Energy: 0.5966785634344016 Energy: 0.6476400111578614 Energy: 0.5966785634344016 Energy: 0.6476400111584645 Energy: 0.5966785634350047 Energy: 0.6810546388509905 Energy: 0.5595967980537812 Energy: 0.6810546388515936 Energy: 0.5595967980543843 Energy: 0.6810546388509905 Energy: 0.5595967980543843 Energy: 0.6376526661383937 Energy: 0.6157471592861834 Energy: 0.6376526661383937 Energy: 0.6157471592524136 Energy: 0.6376526661383937 Energy: 0.6157471592656804 Energy: 0.6089216469569902 Energy: 0.5889294119928944 Energy: 0.6089216410993322 Energy: 0.5889294119928944 Energy: 0.6089211414140275 Energy: 0.5889294119928944 Energy: 0.618374404872854 Energy: 0.6371998768306439 Energy: 0.618374404872251 Energy: 0.6371998768167743 Energy: 0.618374404872854 Energy: 0.6371998768240106 Energy: 0.6594719044814049 Energy: 0.5846967087668054 Energy: 0.6594719044814049 Energy: 0.5846967087668054 Energy: 0.659471904482008 Energy: 0.5846967087668054 Energy: 0.608065575364896 Energy: 0.6487036259666109 Energy: 0.608065575364293 Energy: 0.6487036259666109 Energy: 0.60806557536369 Energy: 0.6487036259666109 Energy: 0.598940806038231 Energy: 0.6763233680364508 Energy: 0.598940806038231 Energy: 0.6763233680364508 Energy: 0.598940806038231 Energy: 0.6763233680364508 Energy: 0.6514593131967301 Energy: 0.6418520346956471 Energy: 0.6514593131961272 Energy: 0.6418520346950439 Energy: 0.6514593131967301 Energy: 0.6418520346950439 Energy: 0.555830384451539 Energy: 0.6606625989074325 Energy: 0.555830384450936 Energy: 0.6606625984408778 Energy: 0.555830384450936 Energy: 0.6606625991479325 Energy: 0.7204883497017137 Energy: 0.580962143470041 Energy: 0.7204883497017137 Energy: 0.580962143470041 Energy: 0.7204883497011108 Energy: 0.580962143470041 Energy: 0.5384349770735638 Energy: 0.6637042931925837 Energy: 0.5384349770741669 Energy: 0.6637042931925837 Energy: 0.5384349770741669 Energy: 0.6637042931925837 Energy: 0.6549382840688506 Energy: 0.5341393758148413 Energy: 0.6549382840682475 Energy: 0.5341393758148413 Energy: 0.6549382840676444 Energy: 0.5341393758148413 Energy: 0.5872656042566997 Energy: 0.5962116094778334 Energy: 0.5872656042566997 Energy: 0.5962116094778334 Energy: 0.5872656042566997 Energy: 0.5962116094778334 Energy: 0.6910848898082796 Energy: 0.5617277269553106 Energy: 0.6910848898076766 Energy: 0.5617277269553106 Energy: 0.6910848898076766 Energy: 0.5617277269553106 Energy: 0.6921570298708487 Energy: 0.6374936537553744 Energy: 0.6921570298714519 Energy: 0.6374936537553744 Energy: 0.6921570298708487 Energy: 0.6374936537559774 Energy: 0.6438686804799105 Energy: 0.6169059848379248 Energy: 0.6438686804793075 Energy: 0.6169059848385278 Energy: 0.6438686804799105 Energy: 0.6169059848385278 Energy: 0.6463149946945366 Energy: 0.600756691568634 Energy: 0.6463149946945366 Energy: 0.6007566915728552 Energy: 0.6463149946945366 Energy: 0.6007566915734583 Energy: 0.5613814654177213 Energy: 0.5977256109592025 Energy: 0.5613814654177213 Energy: 0.5977256109592025 Energy: 0.5613814654177213 Energy: 0.5977256109592025 Energy: 0.6251267779755469 Energy: 0.5845788272826995 Energy: 0.6251267779755469 Energy: 0.5845788272826995 Energy: 0.6251267779755469 Energy: 0.5845788272820965 Energy: 0.5629245660464004 Energy: 0.6584229324536034 Energy: 0.5629245660464004 Energy: 0.6584229324523972 Energy: 0.5629245660464004 Energy: 0.6584229324517944 Energy: 0.6461599656308235 Energy: 0.6387873181897522 Energy: 0.6461599656308235 Energy: 0.6387873181897522 Energy: 0.6461599656308235 Energy: 0.6387873181897522 Energy: 0.5396717588821707 Energy: 0.6659598411092633 Energy: 0.5396717588827736 Energy: 0.6659598411092633 Energy: 0.5396717588827736 Energy: 0.6659598411092633 minimum gb energy = 0.5341393758148413 eV minimum distance = 2.55535366287713 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 0.6403132634400063 Energy: 0.6485068028456515 Energy: 0.6403132634403493 Energy: 0.6485068028453086 Energy: 0.6403132634406924 Energy: 0.6485068028453086 Energy: 0.612765127657908 Energy: 0.5920167770065236 Energy: 0.612765127657908 Energy: 0.5920167770065236 Energy: 0.6127651276575651 Energy: 0.5920167770061805 Energy: 0.5342092933483573 Energy: 0.5904923265950955 Energy: 0.5342092933480141 Energy: 0.5904923265957817 Energy: 0.5342092933483573 Energy: 0.5904923265950955 Energy: 0.645133668353067 Energy: 0.6771923105199276 Energy: 0.645133668353067 Energy: 0.6771923105195847 Energy: 0.6451336683534101 Energy: 0.6771923105199276 Energy: 0.5902583957195681 Energy: 0.6238905486649501 Energy: 0.5902583957195681 Energy: 0.6238905486666652 Energy: 0.5902583957202542 Energy: 0.6238905486656361 Energy: 0.591921395880933 Energy: 0.5391793013163702 Energy: 0.591921395880933 Energy: 0.5391793013167131 Energy: 0.5919213958805899 Energy: 0.5391793013163702 Energy: 0.6527108099766541 Energy: 0.6454193475781044 Energy: 0.6527108099756251 Energy: 0.6454193475791333 Energy: 0.6527108099763111 Energy: 0.6454193475784474 Energy: 0.5326447681185701 Energy: 0.6490424110792368 Energy: 0.532644768118913 Energy: 0.6490424110792368 Energy: 0.5326447681185701 Energy: 0.6490424110788938 Energy: 0.5523751539105529 Energy: 0.5361262890347984 Energy: 0.5523751539102099 Energy: 0.5361262890344555 Energy: 0.5523751539108959 Energy: 0.5361262890347984 Energy: 0.5363593305536141 Energy: 0.6529257880863242 Energy: 0.5363593305536141 Energy: 0.6529257880866671 Energy: 0.5363593305536141 Energy: 0.6529257880876961 Energy: 0.6556998086249549 Energy: 0.5346790660308347 Energy: 0.655699808625298 Energy: 0.5346790660308347 Energy: 0.6556998086256409 Energy: 0.5346790660308347 Energy: 0.5348158810934387 Energy: 0.5507482603178088 Energy: 0.5348158810934387 Energy: 0.5507482603178088 Energy: 0.5348158810930956 Energy: 0.5507482603181517 Energy: 0.6456133625971292 Energy: 0.5314763526849908 Energy: 0.6456133625974722 Energy: 0.5314763526849908 Energy: 0.6456133625978152 Energy: 0.5314763526846479 Energy: 0.6447602157725082 Energy: 0.6506329659029988 Energy: 0.6447602157728513 Energy: 0.6506329659026558 Energy: 0.6447602157721651 Energy: 0.6506329659033417 Energy: 0.6038806656199482 Energy: 0.591299838144539 Energy: 0.6038806656199482 Energy: 0.591299838143853 Energy: 0.6038806656199482 Energy: 0.591299838144196 Energy: 0.5337553701199094 Energy: 0.5924724524748542 Energy: 0.5337553701202523 Energy: 0.5924724524751972 Energy: 0.5337553701219674 Energy: 0.5924724524748542 Energy: 0.6759768798539115 Energy: 0.6468440276648552 Energy: 0.6759768798532254 Energy: 0.6468440276655412 Energy: 0.6759768798539115 Energy: 0.6468440276651982 Energy: 0.592291332338513 Energy: 0.5386413232294464 Energy: 0.5922913323388561 Energy: 0.5386413232294464 Energy: 0.592291332338513 Energy: 0.5386413232294464 Energy: 0.5904973536350755 Energy: 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0.5345653275198389 Energy: 0.5903528548806842 Energy: 0.5345653275201819 Energy: 0.5903528548806842 Energy: 0.6459869962083434 Energy: 0.6514169918206438 Energy: 0.6459869962083434 Energy: 0.65141699182133 Energy: 0.6459869962083434 Energy: 0.6514169918203009 Energy: 0.6459877229457963 Energy: 0.6514378716283363 Energy: 0.6459877229454534 Energy: 0.6514378716283363 Energy: 0.6459877229457963 Energy: 0.6514378716279934 Energy: 0.5346779399471914 Energy: 0.5903164403339826 Energy: 0.5346779399468484 Energy: 0.5903164403346685 Energy: 0.5346779399471914 Energy: 0.5903164403336395 Energy: 0.6512888940548758 Energy: 0.5893586227986135 Energy: 0.6512888940545327 Energy: 0.5893586227986135 Energy: 0.6512888940548758 Energy: 0.5893586227989566 Energy: 0.5439731341234443 Energy: 0.6519883141209897 Energy: 0.5439731341231013 Energy: 0.6519883141196177 Energy: 0.5439731341234443 Energy: 0.6519883141203037 Energy: 0.5901969274916713 Energy: 0.5361726524956468 Energy: 0.5901969274913282 Energy: 0.5361726524953039 Energy: 0.5901969274913282 Energy: 0.5361726524953039 Energy: 0.5316959551793826 Energy: 0.6457480109501897 Energy: 0.5316959551790396 Energy: 0.6457480109488176 Energy: 0.5316959551797257 Energy: 0.6457480109495037 Energy: 0.649828852909161 Energy: 0.6414646418213509 Energy: 0.649828852909504 Energy: 0.6414646418213509 Energy: 0.649828852909161 Energy: 0.6414646418213509 Energy: 0.5904282458902204 Energy: 0.6031270472866108 Energy: 0.5904282458898774 Energy: 0.6031270472866108 Energy: 0.5904282458902204 Energy: 0.6031270472886687 Energy: 0.5921352961526023 Energy: 0.5386995900610779 Energy: 0.5921352961522592 Energy: 0.5386995900610779 Energy: 0.5921352961519162 Energy: 0.538699590060735 Energy: 0.6760011272609094 Energy: 0.6467948555077946 Energy: 0.6760011272605664 Energy: 0.6467948555084807 Energy: 0.6760011272605664 Energy: 0.6467948555084807 Energy: 0.5336127567104038 Energy: 0.5935148994308141 Energy: 0.5336127567093748 Energy: 0.5935148994308141 Energy: 0.5336127567080028 Energy: 0.5935148994304712 Energy: 0.604245057231867 Energy: 0.5913611436828927 Energy: 0.6042450572328961 Energy: 0.5913611436828927 Energy: 0.6042450572328961 Energy: 0.5913611436828927 Energy: 0.6447620050881951 Energy: 0.6506260890963579 Energy: 0.6447620050885382 Energy: 0.6506260890970439 Energy: 0.6447620050885382 Energy: 0.6506260890967009 Energy: 0.6455441061671715 Energy: 0.5314639191508399 Energy: 0.6455441061654565 Energy: 0.5314639191508399 Energy: 0.6455441061664855 Energy: 0.5314639191508399 Energy: 0.5347832840894057 Energy: 0.5507593108183126 Energy: 0.5347832840897487 Energy: 0.5507593108183126 Energy: 0.5347832840894057 Energy: 0.5507593108186557 minimum gb energy = 0.5314639191508399 eV minimum distance = 2.65415025703257 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 0.6215423261543189 Energy: 0.6239858101724546 Energy: 0.6215423261543189 Energy: 0.6239858101724546 Energy: 0.6215423261543189 Energy: 0.6239858101724546 Energy: 0.6428652929899373 Energy: 0.5934150177073106 Energy: 0.6428652929899373 Energy: 0.5934150177073106 Energy: 0.6428652929899373 Energy: 0.5934150177073106 Energy: 0.6026426467902718 Energy: 0.622088388466511 Energy: 0.6026426467902718 Energy: 0.622088388466511 Energy: 0.6026426467902718 Energy: 0.6220883884657163 Energy: 0.6203788187770909 Energy: 0.5616901201702313 Energy: 0.6203788187770909 Energy: 0.5616901201702313 Energy: 0.6203788187770909 Energy: 0.561690120171026 Energy: 0.6383208806584214 Energy: 0.6047626536042149 Energy: 0.6383208806584214 Energy: 0.6047626536042149 Energy: 0.6383208806584214 Energy: 0.6047626536042149 Energy: 0.6367470829526967 Energy: 0.6049126096454194 Energy: 0.6367470829526967 Energy: 0.6049126096454194 Energy: 0.636747082951902 Energy: 0.6049126096454194 Energy: 0.594894870614138 Energy: 0.6047548602178201 Energy: 0.594894870614138 Energy: 0.6047548602178201 Energy: 0.594894870614138 Energy: 0.6047548602178201 Energy: 0.5721902654776636 Energy: 0.6047369794929772 Energy: 0.5721902654768689 Energy: 0.6047369794921825 Energy: 0.5721902654776636 Energy: 0.6047369794929772 Energy: 0.6930454342470361 Energy: 0.5603768777674009 Energy: 0.6930454342470361 Energy: 0.5603768777674009 Energy: 0.6930454342478308 Energy: 0.5603768777674009 Energy: 0.5657394543952082 Energy: 0.7017186139185152 Energy: 0.5657394543952082 Energy: 0.7017186139193099 Energy: 0.5657394543952082 Energy: 0.7017186139193099 Energy: 0.680966100713035 Energy: 0.5510742256534635 Energy: 0.6809661007138297 Energy: 0.5510742256534635 Energy: 0.6809661007138297 Energy: 0.5510742256534635 Energy: 0.6233193924277588 Energy: 0.6241158669660449 Energy: 0.6233193924277588 Energy: 0.6241158669660449 Energy: 0.6233193924277588 Energy: 0.6241158669660449 Energy: 0.6446245752334542 Energy: 0.5928448490737366 Energy: 0.6446245752334542 Energy: 0.5928448490729418 Energy: 0.6446245752342488 Energy: 0.5928448490729418 Energy: 0.6026869141663136 Energy: 0.5771521584882197 Energy: 0.6026869141663136 Energy: 0.5771521584882197 Energy: 0.6026869141663136 Energy: 0.577152158487425 Energy: 0.6174002142801832 Energy: 0.6181439373022931 Energy: 0.6174002142801832 Energy: 0.6181439373014983 Energy: 0.6174002142801832 Energy: 0.6181439373014983 Energy: 0.6398482391351706 Energy: 0.6049046200284723 Energy: 0.6398482391351706 Energy: 0.6049046200284723 Energy: 0.6398482391351706 Energy: 0.6049046200284723 Energy: 0.6384655819473696 Energy: 0.6720015055661047 Energy: 0.6384655819473696 Energy: 0.6720015055661047 Energy: 0.6384655819473696 Energy: 0.6720015055668995 Energy: 0.6182919578640228 Energy: 0.6065766885180436 Energy: 0.6182919578640228 Energy: 0.6065766885180436 Energy: 0.6182919578640228 Energy: 0.6065766885180436 minimum gb energy = 0.5510742256534635 eV minimum distance = 2.55943164562612 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 0.5167609219579947 Energy: 0.530872487225849 Energy: 0.5167609219589374 Energy: 0.5308724872249062 Energy: 0.5167609219579947 Energy: 0.530872487225849 Energy: 0.6267202158678363 Energy: 0.6319816332330812 Energy: 0.6267202158673649 Energy: 0.6319816332330812 Energy: 0.6267202158678363 Energy: 0.6319816332330812 Energy: 0.5098201697899162 Energy: 0.6310893723542221 Energy: 0.5098201697894449 Energy: 0.6310893723537508 Energy: 0.5098201697889734 Energy: 0.6310893723537508 Energy: 0.5376517284729222 Energy: 0.5097413738914269 Energy: 0.5376517284719793 Energy: 0.5097413738914269 Energy: 0.5376517284733936 Energy: 0.5097413738909554 Energy: 0.5098312229547385 Energy: 0.5168646190379739 Energy: 0.5098312229547385 Energy: 0.5168646190403309 Energy: 0.5098312229552099 Energy: 0.5168646190384453 Energy: 0.5098716294535394 Energy: 0.5168913953001 Energy: 0.5098716294544822 Energy: 0.5168913952991573 Energy: 0.5098716294535394 Energy: 0.5168913953005714 Energy: 0.5376745603696538 Energy: 0.5097402130592005 Energy: 0.5376745603696538 Energy: 0.5097402130592005 Energy: 0.5376745603696538 Energy: 0.5097402130592005 Energy: 0.5098222090143447 Energy: 0.6309620050719202 Energy: 0.5098222090143447 Energy: 0.6309620050719202 Energy: 0.5098222090148161 Energy: 0.6309620050719202 Energy: 0.62670929855562 Energy: 0.6319096187711516 Energy: 0.6267092985560915 Energy: 0.631909618771623 Energy: 0.62670929855562 Energy: 0.6319096187711516 Energy: 0.5167609219570519 Energy: 0.530872487225849 Energy: 0.5167609219584661 Energy: 0.5308724872253776 Energy: 0.5167609219579947 Energy: 0.530872487225849 Energy: 0.6267202158668935 Energy: 0.6319816332335312 Energy: 0.6267202158668935 Energy: 0.6319816332330812 Energy: 0.6267202158673649 Energy: 0.6319816332330812 Energy: 0.5098201697894449 Energy: 0.6310893723542221 Energy: 0.5098201697894449 Energy: 0.6310893723532794 Energy: 0.5098201697899162 Energy: 0.6310893723532794 Energy: 0.5376517284719793 Energy: 0.5097413738914269 Energy: 0.5376517284729222 Energy: 0.5097413738914269 Energy: 0.5376517284724508 Energy: 0.5097413738914269 Energy: 0.5098312229556812 Energy: 0.5168646190389167 Energy: 0.5098312229552099 Energy: 0.5168646190389167 Energy: 0.5098312229556812 Energy: 0.5168646190384453 Energy: 0.5098716294535394 Energy: 0.5168913953015143 Energy: 0.5098716294540107 Energy: 0.5168913953010429 Energy: 0.5098716294535394 Energy: 0.5168913952996287 Energy: 0.5376745603701252 Energy: 0.5097402130592005 Energy: 0.5376745603696538 Energy: 0.5097402130592005 Energy: 0.5376745603696538 Energy: 0.5097402130592005 Energy: 0.5098222090152876 Energy: 0.6309620050719202 Energy: 0.5098222090143447 Energy: 0.6309620050723918 Energy: 0.5098222090138734 Energy: 0.6309620050723918 Energy: 0.62670929855562 Energy: 0.631909618771623 Energy: 0.6267092985560915 Energy: 0.631909618771623 Energy: 0.6267092985560915 Energy: 0.6319096187711516 Energy: 0.5167609219589374 Energy: 0.530872487225849 Energy: 0.5167609219584661 Energy: 0.5308724872263205 Energy: 0.5167609219584661 Energy: 0.530872487225849 Energy: 0.6267202158678363 Energy: 0.6319816332330812 Energy: 0.6267202158673649 Energy: 0.6319816332335312 Energy: 0.6267202158678363 Energy: 0.6319816332335312 Energy: 0.5098201697899162 Energy: 0.6310893723542221 Energy: 0.5098201697894449 Energy: 0.6310893723537508 Energy: 0.5098201697899162 Energy: 0.6310893723537508 Energy: 0.537651728473865 Energy: 0.5097413738909554 Energy: 0.5376517284748078 Energy: 0.5097413738909554 Energy: 0.5376517284729222 Energy: 0.5097413738914269 Energy: 0.5098312229552099 Energy: 0.5168646190389167 Energy: 0.5098312229552099 Energy: 0.5168646190379739 Energy: 0.5098312229547385 Energy: 0.5168646190398595 Energy: 0.5098716294535394 Energy: 0.5168913953005714 Energy: 0.5098716294540107 Energy: 0.5168913953005714 Energy: 0.5098716294544822 Energy: 0.5168913952996287 Energy: 0.5376745603701252 Energy: 0.5097402130592005 Energy: 0.5376745603696538 Energy: 0.5097402130592005 Energy: 0.5376745603696538 Energy: 0.509740213058729 Energy: 0.5098222090157376 Energy: 0.6309620050719202 Energy: 0.5098222090148161 Energy: 0.6309620050723918 Energy: 0.5098222090152876 Energy: 0.6309620050714488 Energy: 0.6267092985560915 Energy: 0.6319096187711516 Energy: 0.62670929855562 Energy: 0.6319096187711516 Energy: 0.6267092985575057 Energy: 0.6319096187711516 Energy: 0.5167609219579947 Energy: 0.5308724872263205 Energy: 0.5167609219579947 Energy: 0.5308724872263205 Energy: 0.5167609219579947 Energy: 0.5308724872253776 Energy: 0.6267202158673649 Energy: 0.6319816332335312 Energy: 0.6267202158664221 Energy: 0.6319816332335312 Energy: 0.6267202158678363 Energy: 0.6319816332330812 Energy: 0.5098201697885019 Energy: 0.6310893723537508 Energy: 0.5098201697894449 Energy: 0.6310893723532794 Energy: 0.5098201697899162 Energy: 0.6310893723542221 minimum gb energy = 0.509740213058729 eV minimum distance = 2.56655635803518 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 0.5281165671238791 Energy: 0.511287306678157 Energy: 0.5281165671250339 Energy: 0.511287306678157 Energy: 0.5281165671250339 Energy: 0.511287306678157 Energy: 0.6259889987126767 Energy: 0.5241681593834757 Energy: 0.6259889987115219 Energy: 0.5241681593834757 Energy: 0.6259889987115219 Energy: 0.5241681593834757 Energy: 0.5308454883079995 Energy: 0.574336675925235 Energy: 0.5308454883079995 Energy: 0.5743366759263896 Energy: 0.5308454883079995 Energy: 0.5743366759263896 Energy: 0.6357533523617984 Energy: 0.5057156762788221 Energy: 0.6357533523617984 Energy: 0.5057156762788221 Energy: 0.6357533523617984 Energy: 0.5057156762788221 Energy: 0.6384381793660764 Energy: 0.503782936224306 Energy: 0.6384381793660764 Energy: 0.5037829362254608 Energy: 0.6384381793660764 Energy: 0.503782936224306 Energy: 0.6075650625124401 Energy: 0.626007830818287 Energy: 0.6075650625124401 Energy: 0.626007830818287 Energy: 0.6075650625124401 Energy: 0.626007830818287 Energy: 0.5746798466553038 Energy: 0.5245974381932055 Energy: 0.5746798466564584 Energy: 0.5245974381932055 Energy: 0.5746798466553038 Energy: 0.5245974381932055 Energy: 0.5301599737831035 Energy: 0.5130725819402586 Energy: 0.5301599737819489 Energy: 0.5130725819402586 Energy: 0.5301599737831035 Energy: 0.5130725819402586 Energy: 0.626054987416284 Energy: 0.5308808692241676 Energy: 0.626054987416284 Energy: 0.5308808692241676 Energy: 0.626054987416284 Energy: 0.5308808692253223 Energy: 0.5604113075887827 Energy: 0.5969438392861682 Energy: 0.5604113075887827 Energy: 0.5969438392827041 Energy: 0.560411307587628 Energy: 0.596943839287323 Energy: 0.579813961121426 Energy: 0.503228149770288 Energy: 0.579813961121426 Energy: 0.503228149770288 Energy: 0.579813961121426 Energy: 0.503228149770288 Energy: 0.6168404058898294 Energy: 0.5804616287348388 Energy: 0.6168404058898294 Energy: 0.5804616287175444 Energy: 0.6168404058898294 Energy: 0.58046162873022 minimum gb energy = 0.503228149770288 eV minimum distance = 2.54710827995867 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 0.5434667177813923 Energy: 0.5636066973941416 Energy: 0.5434667177810679 Energy: 0.5636066973941416 Energy: 0.5434667177807435 Energy: 0.5636066973944661 Energy: 0.6298278000358926 Energy: 0.5375607707491595 Energy: 0.6298278000355682 Energy: 0.5378385251084733 Energy: 0.6298278000358926 Energy: 0.5378385251084733 Energy: 0.47872895987086034 Energy: 0.6247020466312265 Energy: 0.47872895986956254 Energy: 0.6247020466312265 Energy: 0.47872895987086034 Energy: 0.6247020466312265 Energy: 0.47837767474828036 Energy: 0.4752863651186109 Energy: 0.4783776747479559 Energy: 0.4752863651186109 Energy: 0.4783776747479559 Energy: 0.4752863651182864 Energy: 0.5222924674610928 Energy: 0.5332572623858649 Energy: 0.5222924674610928 Energy: 0.5332572623855405 Energy: 0.5222924674610928 Energy: 0.5332572623852161 Energy: 0.524847643069807 Energy: 0.5383668195814892 Energy: 0.5248476430707804 Energy: 0.5343905975241984 Energy: 0.5248476430701314 Energy: 0.5343905975232249 Energy: 0.5027081546180058 Energy: 0.5376253123624084 Energy: 0.5027081546176814 Energy: 0.537625312362084 Energy: 0.5027081546167079 Energy: 0.5376253123624084 Energy: 0.46205493823544697 Energy: 0.5362135660737706 Energy: 0.46205493823512256 Energy: 0.5362135660734462 Energy: 0.46205493823544697 Energy: 0.5362135660737706 Energy: 0.5955833915365463 Energy: 0.5313062475542263 Energy: 0.5955833915365463 Energy: 0.5313062475539018 Energy: 0.5955833915365463 Energy: 0.5313062475539018 Energy: 0.5218989982261928 Energy: 0.6157108076079557 Energy: 0.5218989982258684 Energy: 0.6157108076086046 Energy: 0.521898998225544 Energy: 0.6157108076079557 Energy: 0.4797064301462542 Energy: 0.47282570784917366 Energy: 0.4797064301465787 Energy: 0.47282570784917366 Energy: 0.4797064301462542 Energy: 0.4728257078494981 Energy: 0.4988976842441245 Energy: 0.5281177397930409 Energy: 0.4988976842444489 Energy: 0.5281177397917431 Energy: 0.4988976842444489 Energy: 0.528117739792392 Energy: 0.5164343361472312 Energy: 0.5327001424391283 Energy: 0.51643433614496 Energy: 0.5327001424384795 Energy: 0.5164343361472312 Energy: 0.5327001424404262 Energy: 0.5525088827407036 Energy: 0.642378487178956 Energy: 0.5525088827407036 Energy: 0.6423784871796049 Energy: 0.5525088827407036 Energy: 0.6423784871786314 Energy: 0.47379378091642554 Energy: 0.5219712632955438 Energy: 0.4737937809161011 Energy: 0.5219712632955438 Energy: 0.4737937809161011 Energy: 0.5219712632958683 Energy: 0.4939502600307665 Energy: 0.5029328027127209 Energy: 0.4939502600301175 Energy: 0.5029328027140187 Energy: 0.4939502600307665 Energy: 0.5029328027114232 Energy: 0.6211354093508906 Energy: 0.4732495491660994 Energy: 0.6211354093499173 Energy: 0.47324954916058376 Energy: 0.6211354093499173 Energy: 0.47324954916350376 Energy: 0.4788536248762316 Energy: 0.4985644259751759 Energy: 0.4788536248759072 Energy: 0.4985644259755004 Energy: 0.4788536248759072 Energy: 0.4985644259751759 Energy: 0.46478877958753534 Energy: 0.6070784478614655 Energy: 0.46478877958688647 Energy: 0.607078447861141 Energy: 0.46478877958688647 Energy: 0.6070784478614655 Energy: 0.6147368699576446 Energy: 0.5642347912734507 Energy: 0.6147368699566713 Energy: 0.5642347912715039 Energy: 0.6147368699569957 Energy: 0.5642347912728016 Energy: 0.4648135086850112 Energy: 0.6074042038924801 Energy: 0.4648135086850112 Energy: 0.6074042038928044 Energy: 0.4648135086850112 Energy: 0.6074042038928044 Energy: 0.47870816130055344 Energy: 0.49855241235137443 Energy: 0.4787081613008778 Energy: 0.49855241235137443 Energy: 0.47870816130055344 Energy: 0.49855241235169884 Energy: 0.6213389304700849 Energy: 0.4733604637520513 Energy: 0.621338930469436 Energy: 0.4733604637523757 Energy: 0.621338930469436 Energy: 0.473360463751078 Energy: 0.4939947583426839 Energy: 0.5361073610204677 Energy: 0.4939947583436573 Energy: 0.5361073610207922 Energy: 0.4939947583423595 Energy: 0.5361073610214411 Energy: 0.4737979289669228 Energy: 0.5219015277636686 Energy: 0.4737979289672473 Energy: 0.5219015277636686 Energy: 0.4737979289669228 Energy: 0.5219015277633441 Energy: 0.5527381699958065 Energy: 0.5517249006649148 Energy: 0.5527381699954821 Energy: 0.5517249006645903 Energy: 0.5527381699958065 Energy: 0.5517249006645903 Energy: 0.5164361889448733 Energy: 0.5320737588570865 Energy: 0.5164361889451977 Energy: 0.5320737588577354 Energy: 0.5164361889458466 Energy: 0.5320737588574109 Energy: 0.4987252883969887 Energy: 0.5090894566915752 Energy: 0.4987252883973131 Energy: 0.5090894566918996 Energy: 0.4987252883973131 Energy: 0.5090894566912508 Energy: 0.4796276075228362 Energy: 0.47289423094884975 Energy: 0.47962760752218725 Energy: 0.47289423094917427 Energy: 0.47962760752186284 Energy: 0.4728942309494987 Energy: 0.5218274260927208 Energy: 0.5112152587301264 Energy: 0.521827426092072 Energy: 0.5112152601956566 Energy: 0.521827426092072 Energy: 0.511215258906213 Energy: 0.59555724486019 Energy: 0.5331453788292784 Energy: 0.5955572448595411 Energy: 0.533145378828954 Energy: 0.5955572448592166 Energy: 0.5331453788292784 Energy: 0.46206091779400726 Energy: 0.5376094351024052 Energy: 0.4620609177943318 Energy: 0.5376094351024052 Energy: 0.4620609177943318 Energy: 0.5376094351024052 Energy: 0.5025836226852377 Energy: 0.5371912844332531 Energy: 0.5025836226855621 Energy: 0.5371912844332531 Energy: 0.5025836226852377 Energy: 0.5371912844329287 Energy: 0.5249269709002495 Energy: 0.5175129255019624 Energy: 0.5249269709008985 Energy: 0.5175129255022868 Energy: 0.5249269708992762 Energy: 0.5175129255022868 Energy: 0.5223151911809355 Energy: 0.5328239664375675 Energy: 0.5223151911809355 Energy: 0.5328239664375675 Energy: 0.5223151911815843 Energy: 0.5328239664372431 Energy: 0.47838856598151996 Energy: 0.4752370550879467 Energy: 0.47838856598151996 Energy: 0.4752370550876222 Energy: 0.4783885659808711 Energy: 0.4752370550876222 Energy: 0.47847459757905914 Energy: 0.6251906415372344 Energy: 0.47847459757970806 Energy: 0.6251906415378832 Energy: 0.47847459757938365 Energy: 0.6251906415372344 Energy: 0.5573011189390266 Energy: 0.5197484417288274 Energy: 0.5573011190823735 Energy: 0.5197484417288274 Energy: 0.5573011192737092 Energy: 0.5197484417288274 Energy: 0.5434667177817167 Energy: 0.5636066973947905 Energy: 0.5434667177807435 Energy: 0.5636066973954394 Energy: 0.5434667177813923 Energy: 0.563606697395115 Energy: 0.6298278000349192 Energy: 0.5378385251087977 Energy: 0.6298278000358926 Energy: 0.5378385251087977 Energy: 0.6298278000342704 Energy: 0.5378385251084733 Energy: 0.47872895987053593 Energy: 0.6247020466312265 Energy: 0.47872895987021147 Energy: 0.6247020466312265 Energy: 0.47872895986988706 Energy: 0.6247020466315509 Energy: 0.47837767474730697 Energy: 0.4752863651173131 Energy: 0.4783776747479559 Energy: 0.4752863651176375 Energy: 0.4783776747479559 Energy: 0.4752863651176375 Energy: 0.5222924674620661 Energy: 0.5332572623855405 Energy: 0.5222924674614172 Energy: 0.5332572623855405 Energy: 0.5222924674627151 Energy: 0.5332572623855405 minimum gb energy = 0.46205493823512256 eV minimum distance = 2.62801324947249 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 0.2825696779804496 Energy: 0.2875387158060792 Energy: 0.28256967798118815 Energy: 0.28753871580534063 Energy: 0.2825696779804496 Energy: 0.2875387158060792 Energy: 0.3411058264872753 Energy: 0.2831636839651936 Energy: 0.341100047329757 Energy: 0.2831636951840875 Energy: 0.34110381735251544 Energy: 0.2831636898038459 Energy: 0.30266712208978486 Energy: 0.32766483797576196 Energy: 0.30266712208978486 Energy: 0.32766483814482505 Energy: 0.30266712208978486 Energy: 0.3276648382142161 Energy: 0.2891308197444557 Energy: 0.28269788052953726 Energy: 0.28912878141408416 Energy: 0.2826879830528002 Energy: 0.2891284210143379 Energy: 0.28269595339611847 Energy: 0.341040947078492 Energy: 0.3403303818118202 Energy: 0.34104094731325335 Energy: 0.34033038179409475 Energy: 0.34104094484089026 Energy: 0.34033038180295744 Energy: 0.2828300049476367 Energy: 0.30556776497657145 Energy: 0.28282881068080695 Energy: 0.30556776497583293 Energy: 0.28282910796466093 Energy: 0.30556776497583293 Energy: 0.2828334805206309 Energy: 0.3041576089880013 Energy: 0.2828340359073961 Energy: 0.3041515530827258 Energy: 0.28283541122710215 Energy: 0.30415018265010463 Energy: 0.3408571153213437 Energy: 0.34031686531913746 Energy: 0.34085711227243387 Energy: 0.34031686533095434 Energy: 0.3408571286021293 Energy: 0.34031686532209166 Energy: 0.2891352754179995 Energy: 0.28269001379416575 Energy: 0.2891433040683453 Energy: 0.28268895021213386 Energy: 0.2891394024682393 Energy: 0.2826874267395786 Energy: 0.30266329544018916 Energy: 0.32756855681724223 Energy: 0.30266329544018916 Energy: 0.32756855672421725 Energy: 0.3026632954394506 Energy: 0.32756856162755055 Energy: 0.3411040779159729 Energy: 0.2830758854601122 Energy: 0.3411045570012673 Energy: 0.28307588598720895 Energy: 0.34110375901225265 Energy: 0.28307589556948765 Energy: 0.28256967798118815 Energy: 0.28753871580460205 Energy: 0.2825696779804496 Energy: 0.2875387158060792 Energy: 0.28256967798118815 Energy: 0.28753871580460205 Energy: 0.34109415163415446 Energy: 0.2831636903774721 Energy: 0.3410925606362352 Energy: 0.2831637027450617 Energy: 0.34109452055752076 Energy: 0.283163698079444 Energy: 0.30266712208978486 Energy: 0.3276648409825739 Energy: 0.3026671220890463 Energy: 0.3276648375424287 Energy: 0.3026671220883077 Energy: 0.3276648399431515 Energy: 0.2891349245960669 Energy: 0.282674626583774 Energy: 0.2891317569987237 Energy: 0.2826758214441374 Energy: 0.28913062646126114 Energy: 0.2826741272509585 Energy: 0.341040950901782 Energy: 0.340330381841329 Energy: 0.3410409497929685 Energy: 0.34033038184649894 Energy: 0.3410409480278437 Energy: 0.3403303818605316 Energy: 0.28282879085631285 Energy: 0.3055677649780486 Energy: 0.28282878804733425 Energy: 0.30556776497583293 Energy: 0.2828293774001708 Energy: 0.30556776497731003 Energy: 0.2828336420096241 Energy: 0.3041558222279109 Energy: 0.28283437924140475 Energy: 0.30415108644401345 Energy: 0.28283364313099313 Energy: 0.30415352573923604 Energy: 0.3408570953211395 Energy: 0.34031686534055566 Energy: 0.340857111035883 Energy: 0.34031686532356875 Energy: 0.34085711332588897 Energy: 0.34031686535458827 minimum gb energy = 0.2825696779804496 eV minimum distance = 2.74620700126455 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 0.4960332072075527 Energy: 0.5040636631164392 Energy: 0.49603320720809374 Energy: 0.5040636631169804 Energy: 0.4960332072075527 Energy: 0.5040636631164392 Energy: 0.5513591307418899 Energy: 0.4815553769741315 Energy: 0.5513591307424309 Energy: 0.4815553769741315 Energy: 0.5513591307418899 Energy: 0.4815553769741315 Energy: 0.5334957491748219 Energy: 0.5964823045323017 Energy: 0.546595052033875 Energy: 0.5964823045328428 Energy: 0.546595052033334 Energy: 0.5964823045328428 Energy: 0.5074841846689154 Energy: 0.4729364949116774 Energy: 0.5074841846694562 Energy: 0.4729364949122184 Energy: 0.5074841846689154 Energy: 0.4729364949116774 Energy: 0.4902059596147937 Energy: 0.43616014754979504 Energy: 0.4902059596153347 Energy: 0.43616014754979504 Energy: 0.4902059596147937 Energy: 0.43616014755033605 Energy: 0.5139278956083583 Energy: 0.47141750332007454 Energy: 0.5139278956099813 Energy: 0.47141750332007454 Energy: 0.5139278956078174 Energy: 0.47141750332007454 Energy: 0.4567697437750503 Energy: 0.5003061760495795 Energy: 0.4567697437750503 Energy: 0.5003061760495795 Energy: 0.4567697437750503 Energy: 0.5003061760495795 Energy: 0.48914075249983213 Energy: 0.4343880179467969 Energy: 0.48914075249983213 Energy: 0.4343880179473379 Energy: 0.4891407525009142 Energy: 0.4343880179467969 Energy: 0.4893783544038635 Energy: 0.43301243966514846 Energy: 0.4893783544038635 Energy: 0.43301243966460745 Energy: 0.4893783544027815 Energy: 0.43301243966460745 Energy: 0.4364777250510821 Energy: 0.5678484923201025 Energy: 0.4364777250505411 Energy: 0.5678484923206436 Energy: 0.4364777250510821 Energy: 0.5678484923211845 Energy: 0.5706493852749464 Energy: 0.5303746578938869 Energy: 0.5706493852765694 Energy: 0.5303746578938869 Energy: 0.5706493852754875 Energy: 0.5303746578944278 Energy: 0.48599520019555725 Energy: 0.43784883065423025 Energy: 0.48599520019501624 Energy: 0.43784883065423025 Energy: 0.48599520019501624 Energy: 0.43784883065368924 Energy: 0.5055167855523703 Energy: 0.47350073987045316 Energy: 0.5055167855529114 Energy: 0.47350073987045316 Energy: 0.5055167855534524 Energy: 0.47350073987045316 Energy: 0.5115199198330279 Energy: 0.5830175746560894 Energy: 0.5115199198330279 Energy: 0.5830175746560894 Energy: 0.5115199198330279 Energy: 0.5830175746555483 Energy: 0.5517343640235213 Energy: 0.4834398424093138 Energy: 0.5517343640229802 Energy: 0.4834398424098549 Energy: 0.5517343640235213 Energy: 0.4834398424098549 Energy: 0.49652358026025606 Energy: 0.4990286744086259 Energy: 0.4965235802607971 Energy: 0.4990286744080849 Energy: 0.49652358026025606 Energy: 0.4990286744086259 Energy: 0.48588848875734386 Energy: 0.4813151643866244 Energy: 0.48588848875468793 Energy: 0.4813151643866244 Energy: 0.48588848875734386 Energy: 0.4813151643866244 Energy: 0.5800642078360764 Energy: 0.581776552101474 Energy: 0.5800642078360764 Energy: 0.5817765521020151 Energy: 0.5800642078360764 Energy: 0.5817765521020151 Energy: 0.5053535387311074 Energy: 0.4731851653206711 Energy: 0.5053535387321896 Energy: 0.4731851653206711 Energy: 0.5053535387316485 Energy: 0.4731851653206711 Energy: 0.49277381608318127 Energy: 0.46073827040537174 Energy: 0.4927738160826403 Energy: 0.4607382704032077 Energy: 0.4927738160826403 Energy: 0.4607382704032077 Energy: 0.4357491384226937 Energy: 0.479566682903005 Energy: 0.4357491384237758 Energy: 0.47956668290354604 Energy: 0.4357491384237758 Energy: 0.47956668290354604 Energy: 0.4775815343235925 Energy: 0.5030931253477398 Energy: 0.47758153432305156 Energy: 0.5030931253477398 Energy: 0.47758153432305156 Energy: 0.5030931253482809 Energy: 0.4921548841747389 Energy: 0.49045772237203333 Energy: 0.4921548841747389 Energy: 0.49045772228979984 Energy: 0.4921548841747389 Energy: 0.4904577223655412 Energy: 0.49594099766060756 Energy: 0.4632652428671108 Energy: 0.49594099766006655 Energy: 0.46326524286765186 Energy: 0.4959409976611486 Energy: 0.46326524286765186 Energy: 0.4355137404940878 Energy: 0.5702770770758693 Energy: 0.4355137404935468 Energy: 0.5702770770758693 Energy: 0.4355137404935468 Energy: 0.5702770770758693 Energy: 0.6572366508458557 Energy: 0.5301214182548217 Energy: 0.6572366508447737 Energy: 0.5301214182548217 Energy: 0.6572366508447737 Energy: 0.5301214182537396 minimum gb energy = 0.43301243966460745 eV minimum distance = 2.5936024058059 Angstroms sigma value = 41 ======================================== theta = 58.99241699313286 ======================================== Energy: 0.5423096911931521 Energy: 0.4686718661611828 Energy: 0.5423096911931521 Energy: 0.46867186616075635 Energy: 0.5423096911931521 Energy: 0.4686718661611828 Energy: 0.5603565995938451 Energy: 0.5257962206619604 Energy: 0.5603565995934187 Energy: 0.5257962206606812 Energy: 0.5603565995938451 Energy: 0.5257962206619604 Energy: 0.5985973165331789 Energy: 0.5832080500447592 Energy: 0.5985973165331789 Energy: 0.5832080500443328 Energy: 0.5985973165331789 Energy: 0.5832080500451855 Energy: 0.5208468684768722 Energy: 0.4612824111753743 Energy: 0.5208468684777252 Energy: 0.4612824111753743 Energy: 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0.5301868430950436 Energy: 0.53695544360601 Energy: 0.5301868430950436 Energy: 0.53695544360601 Energy: 0.5301868430950436 Energy: 0.5369554436051573 Energy: 0.5707245717941272 Energy: 0.5137509223189419 Energy: 0.5707245717941272 Energy: 0.5137509223185156 Energy: 0.5707245717941272 Energy: 0.5137509223185156 Energy: 0.4471624210583129 Energy: 0.5117378896756917 Energy: 0.4471624210587393 Energy: 0.5117378896756917 Energy: 0.4471624210583129 Energy: 0.5117378896756917 Energy: 0.4608636259425283 Energy: 0.4611310537412104 Energy: 0.4608636259421019 Energy: 0.4611310537412104 Energy: 0.4608636259421019 Energy: 0.46113105374163676 Energy: 0.44542272489821993 Energy: 0.5224777571238296 Energy: 0.4454227248977935 Energy: 0.5224777571234033 Energy: 0.44542272489821993 Energy: 0.5224777571246825 minimum gb energy = 0.4454227248977935 eV minimum distance = 2.64105810029833 Angstroms sigma value = 33 ======================================== theta = 62.439396894736774 ======================================== Energy: 0.48865840285232837 Energy: 0.4700984797313298 Energy: 0.48865840285232837 Energy: 0.47009847973103047 Energy: 0.4886584028511313 Energy: 0.47009847973162905 Energy: 0.6318296638877405 Energy: 0.46313730810247505 Energy: 0.631829663888339 Energy: 0.46313730810217574 Energy: 0.631829663888339 Energy: 0.4631373081018765 Energy: 0.6152237496834917 Energy: 0.5930127458578095 Energy: 0.6152237496828933 Energy: 0.5930127458578095 Energy: 0.615223749682594 Energy: 0.5930127458581087 Energy: 0.5170709993569289 Energy: 0.4698487261272042 Energy: 0.5170709993566296 Energy: 0.4698487261272042 Energy: 0.5170709993569289 Energy: 0.4698487261272042 Energy: 0.46537264654370647 Energy: 0.6278398846517534 Energy: 0.46537264654370647 Energy: 0.6278398846517534 Energy: 0.46537264654340715 Energy: 0.6278398846517534 Energy: 0.5929818268677237 Energy: 0.47606138838035117 Energy: 0.592981826868023 Energy: 0.4760613883809497 Energy: 0.592981826868023 Energy: 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Energy: 0.4679371203602705 Energy: 0.6126093089601038 Energy: 0.46793712035937274 Energy: 0.6126093089601038 Energy: 0.5185358954461227 Energy: 0.4608302787091518 Energy: 0.5185358954464219 Energy: 0.4608302787091518 Energy: 0.5185358954470204 Energy: 0.46083027870945104 Energy: 0.47656037001178875 Energy: 0.6033844162063504 Energy: 0.47656037001148954 Energy: 0.6033844162063504 Energy: 0.47656037001178875 Energy: 0.6033844162078468 Energy: 0.47604574236075375 Energy: 0.6255063052450671 Energy: 0.47604574236045444 Energy: 0.6255063052456656 Energy: 0.4760457423601552 Energy: 0.6255063052459648 Energy: 0.4909550760533945 Energy: 0.4727408993690748 Energy: 0.49095507605698563 Energy: 0.4727408993687756 Energy: 0.49095507605189825 Energy: 0.4727408993687756 Energy: 0.5455687391664464 Energy: 0.511183351529621 Energy: 0.5455687391661471 Energy: 0.511183351529621 Energy: 0.5455687391664464 Energy: 0.5111833515302195 Energy: 0.4711306174293842 Energy: 0.5859394210033665 Energy: 0.4711306174293842 Energy: 0.585939421003965 Energy: 0.471130617429085 Energy: 0.5859394210036657 Energy: 0.6467799083130447 Energy: 0.46613989667685635 Energy: 0.646779908314541 Energy: 0.46613989667685635 Energy: 0.6467799083130447 Energy: 0.46613989667685635 Energy: 0.46792744590932345 Energy: 0.6152574218279363 Energy: 0.46792744590872487 Energy: 0.6152574218258416 Energy: 0.46792744590932345 Energy: 0.6152574218282356 Energy: 0.5672277924861577 Energy: 0.5595733059430146 Energy: 0.5672277924873547 Energy: 0.5595733059409198 Energy: 0.567227792487654 Energy: 0.5595733059427154 Energy: 0.46316587709580287 Energy: 0.5439966514369524 Energy: 0.46316587709640133 Energy: 0.5439966514354561 Energy: 0.46316587709550355 Energy: 0.5439966514375509 minimum gb energy = 0.45873651592344217 eV minimum distance = 2.65166194780415 Angstroms sigma value = 67 ======================================== theta = 70.52877936550931 ======================================== Energy: 0.4414631743714128 Energy: 0.4283645120750364 Energy: 0.44146317437120824 Energy: 0.42836451207485454 Energy: 0.441463174370822 Energy: 0.42836451207485454 Energy: 0.40506448579508136 Energy: 0.3919647540035673 Energy: 0.40506448579487686 Energy: 0.39196475400377184 Energy: 0.40506448579487686 Energy: 0.3919647540035673 Energy: 0.580981605568505 Energy: 0.6313185996621187 Energy: 0.6147325332330836 Energy: 0.6313185996623233 Energy: 0.6147325332326972 Energy: 0.6313185996623233 Energy: 0.4050569475850727 Energy: 0.39195063608432473 Energy: 0.4050569475850727 Energy: 0.39195063608432473 Energy: 0.4050569475850727 Energy: 0.3919506360845293 Energy: 0.4414631743716174 Energy: 0.4283645120750364 Energy: 0.4414631743714128 Energy: 0.42836451207465004 Energy: 0.441463174370822 Energy: 0.42836451207544546 Energy: 0.40506448579446774 Energy: 0.39196475400377184 Energy: 0.40506448579446774 Energy: 0.3919647540039537 Energy: 0.40506448579446774 Energy: 0.39196475400415826 Energy: 0.5809816055688914 Energy: 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Energy: 0.48329035976647544 Energy: 0.509829197377153 Energy: 0.48329035976647544 Energy: 0.5098291973766086 Energy: 0.4832903597670197 Energy: 0.5007107941395962 Energy: 0.5414684425314298 Energy: 0.5007107941390518 Energy: 0.5414684425308854 Energy: 0.5007107941390518 Energy: 0.5414684425311329 Energy: 0.5743290758949817 Energy: 0.5591562418909313 Energy: 0.5743290758944373 Energy: 0.5591562418920198 Energy: 0.5743290758949817 Energy: 0.5591562418947417 Energy: 0.5344628158536323 Energy: 0.55223300016798 Energy: 0.5344628158533354 Energy: 0.5522330001606564 Energy: 0.534462815853088 Energy: 0.552233000165011 minimum gb energy = 0.466316125261235 eV minimum distance = 2.56116667276378 Angstroms sigma value = 81 ======================================== theta = 80.63108442154517 ======================================== Energy: 0.5572981227481444 Energy: 0.5128381450377055 Energy: 0.557298122748518 Energy: 0.5128381450377055 Energy: 0.557298122748518 Energy: 0.5128381450377055 Energy: 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Energy: 0.5132981596784939 Energy: 0.5438855122027031 Energy: 0.513298159679988 Energy: 0.5438915886489583 Energy: 0.4689337680443447 Energy: 0.5587873919890829 Energy: 0.46893376804583886 Energy: 0.5587873919894564 Energy: 0.46893376804583886 Energy: 0.5587873919890829 Energy: 0.509488397518032 Energy: 0.5115123027384717 Energy: 0.509488397518032 Energy: 0.5115123027384717 Energy: 0.509488397518032 Energy: 0.5115123027384717 Energy: 0.5209574714568651 Energy: 0.5194879296231817 Energy: 0.5209574714650832 Energy: 0.5194879296235553 Energy: 0.5209574714512618 Energy: 0.5194879296231817 Energy: 0.6163048233466095 Energy: 0.5697471401102516 Energy: 0.616304823346983 Energy: 0.5697471401106253 Energy: 0.6163048233466095 Energy: 0.5697471401109988 Energy: 0.5245793895577069 Energy: 0.5438246145687514 Energy: 0.5245793895584541 Energy: 0.5438246145683779 Energy: 0.5245793895577069 Energy: 0.5438246145680043 Energy: 0.468342004800034 Energy: 0.6274250296764176 Energy: 0.4683420047992869 Energy: 0.627425029676044 Energy: 0.468342004800034 Energy: 0.6274250296764176 Energy: 0.5056981634596868 Energy: 0.49194126669617044 Energy: 0.5056981634596868 Energy: 0.49194126669617044 Energy: 0.5056981634600601 Energy: 0.49194126669504984 Energy: 0.5223368393558512 Energy: 0.46778123607411215 Energy: 0.5223368393562247 Energy: 0.4677812360744857 Energy: 0.5223368393558512 Energy: 0.4677812360729915 Energy: 0.5508421349521513 Energy: 0.4938807132094249 Energy: 0.5508421349521513 Energy: 0.4938807132094249 Energy: 0.5508421349517777 Energy: 0.4938807132090513 Energy: 0.4668618629044821 Energy: 0.4731549733880201 Energy: 0.4668618629026143 Energy: 0.4731549733880201 Energy: 0.4668618629052292 Energy: 0.4731549733880201 Energy: 0.5156445934084073 Energy: 0.4692129827639749 Energy: 0.5156445934084073 Energy: 0.46921298276322776 Energy: 0.5156445934080337 Energy: 0.4692129827639749 Energy: 0.47195433567827616 Energy: 0.510045604053783 Energy: 0.47195433567827616 Energy: 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Energy: 0.5300954791024047 Energy: 0.576429022827498 Energy: 0.5300954791028637 Energy: 0.5764290228270391 Energy: 0.5300954791028637 Energy: 0.576429022827498 Energy: 0.4926543383986025 Energy: 0.4982511322449186 Energy: 0.49265433839814365 Energy: 0.4982511322449186 Energy: 0.4926543383986025 Energy: 0.49825113224537754 Energy: 0.5937693933511223 Energy: 0.5351548835629463 Energy: 0.5937693933506636 Energy: 0.5351548835629463 Energy: 0.5937693933506636 Energy: 0.5351548835629463 Energy: 0.49629773809865996 Energy: 0.5498941899719645 Energy: 0.49629773809911887 Energy: 0.5498941899715056 Energy: 0.49629773809865996 Energy: 0.5498941899719645 Energy: 0.5697693268764075 Energy: 0.475128693885498 Energy: 0.5697693268764075 Energy: 0.475128693885498 Energy: 0.5697693268764075 Energy: 0.475128693885498 Energy: 0.4928379989135497 Energy: 0.5263241024056151 Energy: 0.4928379989140085 Energy: 0.5263241024056151 Energy: 0.4928379989140085 Energy: 0.5263241024056151 Energy: 0.5246030405949819 Energy: 0.5386863154221095 Energy: 0.5246030405958996 Energy: 0.5386863154221095 Energy: 0.5246030405949819 Energy: 0.5386863154221095 Energy: 0.5381407929214606 Energy: 0.5208542794823681 Energy: 0.5381407929219193 Energy: 0.5208542794828268 Energy: 0.5381407929219193 Energy: 0.5208542794828268 minimum gb energy = 0.475128693885498 eV minimum distance = 2.65789410698326 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 0.5318705329870217 Energy: 0.4795476512514723 Energy: 0.5318705329864276 Energy: 0.4795476512514723 Energy: 0.5318705329864276 Energy: 0.4795476512514723 Energy: 0.5067799790033918 Energy: 0.45348831310505167 Energy: 0.5067799790033918 Energy: 0.45348831310505167 Energy: 0.5067799790033918 Energy: 0.4534883131056458 Energy: 0.542742405666164 Energy: 0.5657344042762319 Energy: 0.54274240566557 Energy: 0.5657344042768261 Energy: 0.54274240566557 Energy: 0.5657344042762319 Energy: 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0.5349618168809575 Energy: 0.5787627266564462 Energy: 0.5349618168809575 Energy: 0.5091577765876563 Energy: 0.5272815413032544 Energy: 0.5091577765882503 Energy: 0.5272815413032544 Energy: 0.5091577765876563 Energy: 0.5272815413038485 Energy: 0.5983350773872911 Energy: 0.5160926880475671 Energy: 0.5983350773872911 Energy: 0.5160926912138902 Energy: 0.5983350773872911 Energy: 0.5160926943861542 minimum gb energy = 0.45348831310505167 eV minimum distance = 2.55442024026257 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 0.5970145378015019 Energy: 0.4750700830614979 Energy: 0.5970145378015019 Energy: 0.4750700830614979 Energy: 0.5970145378015019 Energy: 0.47507008306065773 Energy: 0.5123572926362708 Energy: 0.4511839635197159 Energy: 0.5123572926362708 Energy: 0.45118396351887574 Energy: 0.5123572926362708 Energy: 0.45118396351887574 Energy: 0.4972589541691355 Energy: 0.5117484999359437 Energy: 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Energy: 0.49677524395253997 Energy: 0.5041786630347183 Energy: 0.49677524395306827 Energy: 0.50417866303419 Energy: 0.49677524395253997 Energy: 0.5041786630347183 Energy: 0.4132796610639142 Energy: 0.4080978258538999 Energy: 0.4132796610639142 Energy: 0.4080978258538999 Energy: 0.4132796610639142 Energy: 0.40809782585337157 Energy: 0.4669372632649065 Energy: 0.41796898055062065 Energy: 0.4669372632659631 Energy: 0.41796898055062065 Energy: 0.4669372632649065 Energy: 0.41796898055009235 Energy: 0.5034906536521074 Energy: 0.5039701182431016 Energy: 0.5034906536521074 Energy: 0.5039701182431016 Energy: 0.5034906536521074 Energy: 0.5039701182436299 Energy: 0.4264431310954845 Energy: 0.5080610326335298 Energy: 0.42644313109495624 Energy: 0.508061032634058 Energy: 0.42644313109495624 Energy: 0.508061032634058 Energy: 0.4657736118682989 Energy: 0.45129296309253675 Energy: 0.4657736118682989 Energy: 0.45129296309253675 Energy: 0.4657736118682989 Energy: 0.45129296309200845 Energy: 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0.41169553444535417 Energy: 0.42598238979945097 Energy: 0.41169553444535417 Energy: 0.42598238979945097 Energy: 0.3990561946560205 Energy: 0.47738581566535193 Energy: 0.3990561946560205 Energy: 0.4773858156664085 Energy: 0.3990561946565488 Energy: 0.4773858156664085 minimum gb energy = 0.3915551273894791 eV minimum distance = 2.5430711931976 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 0.5010413282746659 Energy: 0.3745417055494715 Energy: 0.5010413282746659 Energy: 0.3745417055494715 Energy: 0.5010413282746659 Energy: 0.3745417055494715 Energy: 0.40428032035138206 Energy: 0.41684707145119004 Energy: 0.40428032035099715 Energy: 0.4168470714504203 Energy: 0.40428032035138206 Energy: 0.41684707145119004 Energy: 0.39501599965408074 Energy: 0.4177831369518871 Energy: 0.39501599965408074 Energy: 0.417783136952272 Energy: 0.39501599965408074 Energy: 0.417783136952272 Energy: 0.47452314701993764 Energy: 0.3818024651421521 Energy: 0.47452314701993764 Energy: 0.3818024651421521 Energy: 0.4745231470203225 Energy: 0.38180246514176724 Energy: 0.44398173123274126 Energy: 0.40476515444487005 Energy: 0.44398173123274126 Energy: 0.4047651544441002 Energy: 0.44398173123274126 Energy: 0.4047651544444852 Energy: 0.37871795876765985 Energy: 0.4063753240287492 Energy: 0.37871795876727493 Energy: 0.40637532402797943 Energy: 0.37871795876765985 Energy: 0.40637532402797943 Energy: 0.45567041652380874 Energy: 0.3774848125362485 Energy: 0.4556704165241936 Energy: 0.37748481253663335 Energy: 0.45567041652380874 Energy: 0.3774848125362485 Energy: 0.4717997220884279 Energy: 0.44472432515928506 Energy: 0.4717997220884279 Energy: 0.44472432515928506 Energy: 0.47179972208881277 Energy: 0.44472432515890026 Energy: 0.36969956402178805 Energy: 0.4037297891908703 Energy: 0.369699564022173 Energy: 0.40372978919125524 Energy: 0.3696995640225579 Energy: 0.4037297891908703 Energy: 0.4106784612793767 Energy: 0.3640279808415112 Energy: 0.410678461290539 Energy: 0.3640279808418961 Energy: 0.41067846129708235 Energy: 0.3640279808418961 Energy: 0.43725547533927084 Energy: 0.4363847141385586 Energy: 0.43725547533888587 Energy: 0.4363847141385586 Energy: 0.43725547533888587 Energy: 0.43638471413817376 Energy: 0.3874172707805273 Energy: 0.4031782512198454 Energy: 0.3874172707805273 Energy: 0.4031782512186907 Energy: 0.38741727078014243 Energy: 0.4031782512194605 Energy: 0.40983528164417915 Energy: 0.35528007375112486 Energy: 0.40983528164302446 Energy: 0.35528007375112486 Energy: 0.4098352816437943 Energy: 0.35528007375112486 Energy: 0.4453683532895942 Energy: 0.4429710938797542 Energy: 0.4453683532895942 Energy: 0.4429710938793692 Energy: 0.4453683532895942 Energy: 0.44297109387898437 Energy: 0.36460175477618656 Energy: 0.4031383582642164 Energy: 0.36460175477618656 Energy: 0.40313835826498623 Energy: 0.3646017547758016 Energy: 0.40313835826383143 Energy: 0.4148484732163473 Energy: 0.3764109679177218 Energy: 0.4148484732151926 Energy: 0.37641096791810674 Energy: 0.4148484732163473 Energy: 0.37641096791810674 Energy: 0.45112598122014574 Energy: 0.4428444070398717 Energy: 0.451125981218991 Energy: 0.4428444070402566 Energy: 0.4511259812182212 Energy: 0.4428444070398717 Energy: 0.3706675476659668 Energy: 0.46014656714551405 Energy: 0.3706675476659668 Energy: 0.46014656714512914 Energy: 0.3706675476659668 Energy: 0.4601465671439744 Energy: 0.40552205485020903 Energy: 0.39338484871369356 Energy: 0.40552205485097886 Energy: 0.39338484871330864 Energy: 0.40552205485097886 Energy: 0.39338484871330864 Energy: 0.4627127888338581 Energy: 0.44438694947592866 Energy: 0.4627127888338581 Energy: 0.44438694947631363 Energy: 0.46271278883424305 Energy: 0.44438694947631363 Energy: 0.384954921747541 Energy: 0.49202739804266904 Energy: 0.38495492174715606 Energy: 0.49202739804266904 Energy: 0.38495492174715606 Energy: 0.49202739804266904 Energy: 0.42109179668281266 Energy: 0.4059872363724925 Energy: 0.42109179668319763 Energy: 0.4059872363721425 Energy: 0.42109179668319763 Energy: 0.4059872363721425 Energy: 0.4198661988666489 Energy: 0.4005839663089474 Energy: 0.41986619886703386 Energy: 0.4005839663089474 Energy: 0.4198661988666489 Energy: 0.40058396630856247 Energy: 0.4246472599814458 Energy: 0.491018079320572 Energy: 0.4246472599818307 Energy: 0.49101807932018715 Energy: 0.4246472599829854 Energy: 0.4910180793198022 Energy: 0.40495767493011686 Energy: 0.4053311971265628 Energy: 0.4049576749305017 Energy: 0.4053311971261778 Energy: 0.4049576749308867 Energy: 0.4053311971261778 Energy: 0.4038500578692342 Energy: 0.3828697928656453 Energy: 0.4038500578692342 Energy: 0.3828697928656453 Energy: 0.4038500578696191 Energy: 0.3828697928656453 Energy: 0.3810444113350515 Energy: 0.4665667009892893 Energy: 0.3810444113358213 Energy: 0.4665667009892893 Energy: 0.3810444113354364 Energy: 0.4665667009892893 Energy: 0.33711263682607734 Energy: 0.39842719103072816 Energy: 0.3371126368268471 Energy: 0.39842719103034324 Energy: 0.33711263682569237 Energy: 0.39842719103034324 Energy: 0.3598934107776222 Energy: 0.36812479816814253 Energy: 0.35989341077723735 Energy: 0.36812479816814253 Energy: 0.35989341077839204 Energy: 0.36812479816814253 Energy: 0.36335051506894694 Energy: 0.4500237270401844 Energy: 0.3633505150697168 Energy: 0.4500237270401844 Energy: 0.36335051506859706 Energy: 0.4500237270401844 Energy: 0.39372575639278473 Energy: 0.4834951918351326 Energy: 0.39372575639239976 Energy: 0.4834951918355175 Energy: 0.39372575639278473 Energy: 0.4834951918351326 Energy: 0.40137484086984915 Energy: 0.3627929694612523 Energy: 0.401374840870234 Energy: 0.3627929694612523 Energy: 0.40137484086984915 Energy: 0.36279296946086736 Energy: 0.3555552113023781 Energy: 0.48280534790450186 Energy: 0.3555552113023781 Energy: 0.48280534790450186 Energy: 0.355555211302763 Energy: 0.48280534790450186 Energy: 0.4429724365654104 Energy: 0.44134548594328177 Energy: 0.4429724365650255 Energy: 0.44134548594405154 Energy: 0.4429724365654104 Energy: 0.44134548594366674 Energy: 0.4095081965332546 Energy: 0.38406911385078585 Energy: 0.4095081965332546 Energy: 0.38406911385078585 Energy: 0.4095081965332546 Energy: 0.38406911385078585 Energy: 0.3341354182319404 Energy: 0.4046925916492519 Energy: 0.33413541823117054 Energy: 0.40469259165002175 Energy: 0.3341354182304007 Energy: 0.4046925916507916 minimum gb energy = 0.3341354182304007 eV minimum distance = 2.5512739179221 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.08365584078451117 Energy: 0.10648694108621598 Energy: 0.08365584078436654 Energy: 0.10648694108579815 Energy: 0.08365584078436654 Energy: 0.10648694108636063 Energy: 0.24137469832589803 Energy: 0.0848782265910592 Energy: 0.24137469832646052 Energy: 0.085018376090597 Energy: 0.24137469832631592 Energy: 0.08501646709292189 Energy: 0.24138397963280278 Energy: 0.08455313992930777 Energy: 0.24138397963280278 Energy: 0.08455182406153362 Energy: 0.24138397963336525 Energy: 0.08455230617934685 Energy: 0.08365584078436654 Energy: 0.10648694108650525 Energy: 0.08365584078423798 Energy: 0.1064869410859267 Energy: 0.08365584078436654 Energy: 0.10648694108636063 Energy: 0.24137469832631592 Energy: 0.08487883112354878 Energy: 0.24137469832687838 Energy: 0.0848782813746863 Energy: 0.24137469832646052 Energy: 0.08488007566664618 Energy: 0.24138397963336525 Energy: 0.08454847070799323 Energy: 0.24138397963322059 Energy: 0.08455125410290383 Energy: 0.24138397963336525 Energy: 0.08454913141296871 Energy: 0.08365584078423798 Energy: 0.10648694108636063 Energy: 0.08365584078423798 Energy: 0.10648694108579815 Energy: 0.08365584078423798 Energy: 0.10648694108636063 Energy: 0.2413746983267498 Energy: 0.08501542099616849 Energy: 0.24137469832631592 Energy: 0.08502430071887054 Energy: 0.24137469832631592 Energy: 0.08487877717112209 Energy: 0.24138397963307595 Energy: 0.08455383388882276 Energy: 0.24138397963280278 Energy: 0.0845537143792416 Energy: 0.24138397963322059 Energy: 0.08455098253009989 Energy: 0.08365584078423798 Energy: 0.10648694108621598 Energy: 0.08365584078451117 Energy: 0.10648694108621598 Energy: 0.08365584078423798 Energy: 0.10648694108621598 minimum gb energy = 0.08365584078423798 eV minimum distance = 2.82971840441178 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 0.4487578585323884 Energy: 0.39050993482908697 Energy: 0.4487578585323884 Energy: 0.39050993482908697 Energy: 0.4487578585328117 Energy: 0.39050993482908697 Energy: 0.39697520836409356 Energy: 0.4251810469233878 Energy: 0.3969752083649399 Energy: 0.4251810469233878 Energy: 0.3969752083649399 Energy: 0.4251810469229839 Energy: 0.4101797086400549 Energy: 0.42632707298971123 Energy: 0.4101797086400549 Energy: 0.42632707298971123 Energy: 0.4101797086400549 Energy: 0.42632707298971123 Energy: 0.4266844771466082 Energy: 0.40234997623764523 Energy: 0.4266844771466082 Energy: 0.40234997623764523 Energy: 0.42668447714618507 Energy: 0.40234997623806845 Energy: 0.3833004670374063 Energy: 0.42575510854867143 Energy: 0.3833004670378295 Energy: 0.42575510854867143 Energy: 0.3833004670374063 Energy: 0.4257551085482482 Energy: 0.4099931370629035 Energy: 0.40990729366829237 Energy: 0.4099931370629035 Energy: 0.40990729366829237 Energy: 0.40999313706248025 Energy: 0.40990729366829237 Energy: 0.41523527127566584 Energy: 0.41974136786870286 Energy: 0.4152352712752426 Energy: 0.41974136786912614 Energy: 0.41523527127566584 Energy: 0.41974136786870286 Energy: 0.3555218237194809 Energy: 0.4258695490967315 Energy: 0.3555218237190576 Energy: 0.4258695490971548 Energy: 0.3555218237190576 Energy: 0.4258695490967315 Energy: 0.41396481215953984 Energy: 0.41191460710442157 Energy: 0.41396481215911674 Energy: 0.41191460710442157 Energy: 0.41396481215953984 Energy: 0.41191460710442157 Energy: 0.41599923781227177 Energy: 0.3970302963651844 Energy: 0.41599923781227177 Energy: 0.3970302963651844 Energy: 0.41599923781227177 Energy: 0.3970302963656076 Energy: 0.3675549260246996 Energy: 0.43240741830491075 Energy: 0.3675549260234298 Energy: 0.43240741830491075 Energy: 0.3675549260238531 Energy: 0.43240741830491075 Energy: 0.41658329260468596 Energy: 0.42265238197420324 Energy: 0.4165832926042628 Energy: 0.42265238197420324 Energy: 0.41658329260510923 Energy: 0.42265238197420324 Energy: 0.4261013871770328 Energy: 0.3533767042817554 Energy: 0.42610138717745605 Energy: 0.3533767042817554 Energy: 0.42610138717745605 Energy: 0.35337670428217854 Energy: 0.40462551246798817 Energy: 0.4145865430097074 Energy: 0.4046255124675649 Energy: 0.4145865430097074 Energy: 0.4046255124675649 Energy: 0.4145865430097074 Energy: 0.41761734594374034 Energy: 0.41952078197423437 Energy: 0.4176173459441636 Energy: 0.41952078197381115 Energy: 0.4176173459441636 Energy: 0.41952078197423437 Energy: 0.42493197876086686 Energy: 0.3517939080725644 Energy: 0.4249319787612901 Energy: 0.35179390807214117 Energy: 0.42493197876044364 Energy: 0.3517939080717179 Energy: 0.40934186320834864 Energy: 0.4217874471470002 Energy: 0.40934186320877186 Energy: 0.42178744714742333 Energy: 0.4093418632079254 Energy: 0.4217874471470002 Energy: 0.4246473364318385 Energy: 0.40744178703236533 Energy: 0.4246473364318385 Energy: 0.40744178703236533 Energy: 0.4246473364318385 Energy: 0.40744178703236533 Energy: 0.42446689177456065 Energy: 0.39087660265299784 Energy: 0.42446689177456065 Energy: 0.39087660265299784 Energy: 0.42446689177413743 Energy: 0.39087660265299784 Energy: 0.42336338779201577 Energy: 0.4402480093608989 Energy: 0.42336338779201577 Energy: 0.4402480093613222 Energy: 0.42336338779243904 Energy: 0.4402480093608989 Energy: 0.41045128549658033 Energy: 0.397807318874954 Energy: 0.4104512854961571 Energy: 0.39780731887537724 Energy: 0.41045128549658033 Energy: 0.397807318874954 Energy: 0.42807156015109266 Energy: 0.4000667974158615 Energy: 0.42807156015109266 Energy: 0.40006679741543827 Energy: 0.4280715601515159 Energy: 0.40006679741543827 Energy: 0.397083815611053 Energy: 0.44134834774270987 Energy: 0.3970838156106297 Energy: 0.44134834774355636 Energy: 0.3970838156114762 Energy: 0.4413483477431331 Energy: 0.4217582421389002 Energy: 0.3883898639835465 Energy: 0.4217582421389002 Energy: 0.3883898639835465 Energy: 0.42175824213847696 Energy: 0.38838986398396974 Energy: 0.4142522468346011 Energy: 0.4212441903117002 Energy: 0.4142522468346011 Energy: 0.4212441903117002 Energy: 0.414252246834178 Energy: 0.4212441903117002 Energy: 0.38419208726345094 Energy: 0.4157028170327039 Energy: 0.38419208726345094 Energy: 0.4157028170322807 Energy: 0.38419208726345094 Energy: 0.4157028170327039 Energy: 0.444042858150806 Energy: 0.4014103091549473 Energy: 0.4440428581503828 Energy: 0.4014103091549473 Energy: 0.4440428581503828 Energy: 0.4014103091549473 Energy: 0.4073959046015517 Energy: 0.41545482054112864 Energy: 0.4073959046015517 Energy: 0.41545482054112864 Energy: 0.4073959046015517 Energy: 0.41545482054112864 Energy: 0.36928649141242087 Energy: 0.4257268897765996 Energy: 0.36928649141242087 Energy: 0.42572688977617634 Energy: 0.36928649141242087 Energy: 0.4257268897765996 Energy: 0.4128036956527116 Energy: 0.41737990613300174 Energy: 0.41280369565228836 Energy: 0.41737990613300174 Energy: 0.4128036956527116 Energy: 0.41737990613300174 Energy: 0.4131639440567797 Energy: 0.4213118658990485 Energy: 0.41316394405720297 Energy: 0.4213118658990485 Energy: 0.4131639440567797 Energy: 0.4213118658990485 Energy: 0.3949213691385643 Energy: 0.4191712652581558 Energy: 0.3949213691389875 Energy: 0.4191712652581558 Energy: 0.3949213691389875 Energy: 0.4191712652581558 Energy: 0.41095495323214215 Energy: 0.4247572211599088 Energy: 0.41095495323214215 Energy: 0.4247572211594856 Energy: 0.41095495323256537 Energy: 0.4247572211594856 minimum gb energy = 0.3517939080717179 eV minimum distance = 2.65229059534049 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 0.4988175698256032 Energy: 0.46144790858080753 Energy: 0.4988175698256032 Energy: 0.46144790857960144 Energy: 0.49881756982500014 Energy: 0.46144790857960144 Energy: 0.4604976991856224 Energy: 0.4864249824534278 Energy: 0.4604976991856224 Energy: 0.4864249824534278 Energy: 0.46049769918501937 Energy: 0.4864249824540309 Energy: 0.4826612335861493 Energy: 0.48597392465693573 Energy: 0.48266123358675234 Energy: 0.48597392465693573 Energy: 0.48266123358675234 Energy: 0.4859739246575387 Energy: 0.4891737115801729 Energy: 0.45493507643342146 Energy: 0.48917371157956996 Energy: 0.45493507643342146 Energy: 0.48917371157956996 Energy: 0.45493507643342146 Energy: 0.44794022082415674 Energy: 0.4874846882214924 Energy: 0.44794022082415674 Energy: 0.48748468822269836 Energy: 0.44794022082415674 Energy: 0.48748468822269836 Energy: 0.49400216002744685 Energy: 0.4865287117210908 Energy: 0.49400216002684383 Energy: 0.4865287117204878 Energy: 0.49400216002684383 Energy: 0.4865287117210908 Energy: 0.4809249650562904 Energy: 0.484648389677353 Energy: 0.4809249650556874 Energy: 0.484648389677353 Energy: 0.4809249650562904 Energy: 0.4846483896779561 Energy: 0.4706396881222154 Energy: 0.4871452277933471 Energy: 0.4706396881222154 Energy: 0.4871452277933471 Energy: 0.4706396881222154 Energy: 0.4871452277933471 Energy: 0.4947852730363668 Energy: 0.4910217021986007 Energy: 0.4947852730363668 Energy: 0.4910217021986007 Energy: 0.4947852730357638 Energy: 0.4910217021986007 Energy: 0.47722977772428915 Energy: 0.42167615399712693 Energy: 0.47722977772428915 Energy: 0.42167615399712693 Energy: 0.47722977772428915 Energy: 0.42167615399652386 Energy: 0.5013699295711485 Energy: 0.4822533007360375 Energy: 0.5013699295717515 Energy: 0.4822533007360375 Energy: 0.5013699295717515 Energy: 0.4822533007360375 Energy: 0.4773210307394065 Energy: 0.4765716328611487 Energy: 0.4773210307394065 Energy: 0.4765716328605456 Energy: 0.4773210307394065 Energy: 0.4765716328611487 Energy: 0.4772309206780891 Energy: 0.48038393714503397 Energy: 0.4772309206780891 Energy: 0.48038393714503397 Energy: 0.4772309206780891 Energy: 0.48038393714503397 Energy: 0.4859319033910936 Energy: 0.4876522560338731 Energy: 0.4859319033904905 Energy: 0.4876522560338731 Energy: 0.4859319033910936 Energy: 0.4876522560338731 Energy: 0.46043801839877924 Energy: 0.45818325578769453 Energy: 0.46043801839877924 Energy: 0.45818325578769453 Energy: 0.46043801839877924 Energy: 0.45818325578769453 Energy: 0.4921366056126121 Energy: 0.4762167198034542 Energy: 0.4921366056126121 Energy: 0.4762167198034542 Energy: 0.49213660561200906 Energy: 0.4762167198034542 Energy: 0.45558432572363505 Energy: 0.49513844879819463 Energy: 0.45558432572363505 Energy: 0.49513844879819463 Energy: 0.4555843257242381 Energy: 0.49513844879819463 Energy: 0.47314725866775564 Energy: 0.448823248207337 Energy: 0.4731472586683586 Energy: 0.448823248207337 Energy: 0.4731472586683586 Energy: 0.448823248207337 Energy: 0.47108631411291313 Energy: 0.4936822525107599 Energy: 0.47108631411291313 Energy: 0.493682252511363 Energy: 0.47108631411291313 Energy: 0.4936822525107599 Energy: 0.4964487258314477 Energy: 0.49812996911976504 Energy: 0.4964487258320508 Energy: 0.49812996911976504 Energy: 0.4964487258314477 Energy: 0.49812996911976504 Energy: 0.5166076308162229 Energy: 0.45066006932010433 Energy: 0.5166076308162229 Energy: 0.4506600693195013 Energy: 0.5166076308162229 Energy: 0.45066006932010433 Energy: 0.4948562138786301 Energy: 0.5096295051769903 Energy: 0.49485621387802703 Energy: 0.5096295051769903 Energy: 0.4948562138786301 Energy: 0.5096295051769903 Energy: 0.470021858047698 Energy: 0.4969562047544566 Energy: 0.470021858047698 Energy: 0.4969562047544566 Energy: 0.470021858047698 Energy: 0.4969562047544566 minimum gb energy = 0.42167615399652386 eV minimum distance = 2.59203009300158 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 0.5353429560467808 Energy: 0.48208413626704677 Energy: 0.5353429560463981 Energy: 0.48208413626704677 Energy: 0.5353429560463981 Energy: 0.48208413626704677 Energy: 0.4953112759280423 Energy: 0.5188602519559873 Energy: 0.4953112759280423 Energy: 0.5188602519559873 Energy: 0.4953112759284248 Energy: 0.5188602519559873 Energy: 0.5268238499153483 Energy: 0.5185049797504324 Energy: 0.5268238499153483 Energy: 0.518504979750815 Energy: 0.5268238499153483 Energy: 0.5185049797504324 Energy: 0.5282268766470494 Energy: 0.4828993498306591 Energy: 0.5282268766462842 Energy: 0.4828993498314242 Energy: 0.5282268766462842 Energy: 0.4828993498310416 Energy: 0.4929138285915295 Energy: 0.5347905015521275 Energy: 0.49291382859191196 Energy: 0.5347905015521275 Energy: 0.49291382859191196 Energy: 0.5347905015521275 Energy: 0.5560298971289446 Energy: 0.5457705537608497 Energy: 0.5560298971289446 Energy: 0.5475925986278908 Energy: 0.5560298971289446 Energy: 0.5418184579506903 Energy: 0.4885273079335142 Energy: 0.5361565091791202 Energy: 0.4885273079338967 Energy: 0.5361565091791202 Energy: 0.4885273079335142 Energy: 0.5361565091791202 Energy: 0.5167847068705141 Energy: 0.5238558608198121 Energy: 0.5167847068697489 Energy: 0.5238558608194296 Energy: 0.5167847068701316 Energy: 0.5238558608194296 Energy: 0.5135586083607228 Energy: 0.5331664674195804 Energy: 0.5135586083603403 Energy: 0.5331664674191978 Energy: 0.5135586083607228 Energy: 0.5331664674191978 Energy: 0.5522308415531003 Energy: 0.5162730004469844 Energy: 0.5522308415534829 Energy: 0.5161771781916255 Energy: 0.5522308415534829 Energy: 0.5091350448550641 Energy: 0.5271770775938734 Energy: 0.5261835193509036 Energy: 0.5271770775934909 Energy: 0.5261835193505211 Energy: 0.5271770775938734 Energy: 0.5261835193509036 Energy: 0.4934037976243973 Energy: 0.4972994245177534 Energy: 0.49340379762401465 Energy: 0.497299424518136 Energy: 0.4934037976247798 Energy: 0.497299424518136 Energy: 0.5264457803355456 Energy: 0.5010071250938712 Energy: 0.5264457803359281 Energy: 0.5010071250942538 Energy: 0.5264457803355456 Energy: 0.5010071250938712 Energy: 0.5097289090549313 Energy: 0.5097347731399674 Energy: 0.5097289090545487 Energy: 0.50973477314035 Energy: 0.5097289090549313 Energy: 0.5097347731399674 Energy: 0.5092987211170009 Energy: 0.49773996202250875 Energy: 0.5092987211173834 Energy: 0.49773996202250875 Energy: 0.5092987211170009 Energy: 0.49773996202250875 Energy: 0.5281556348339795 Energy: 0.5273176480717897 Energy: 0.5281556348332144 Energy: 0.5273176480717897 Energy: 0.528155634833597 Energy: 0.5273176480721723 Energy: 0.4880112461909743 Energy: 0.5281260425683302 Energy: 0.4880112461909743 Energy: 0.5281260425683302 Energy: 0.48801124619059183 Energy: 0.5281260425683302 Energy: 0.5440756855019817 Energy: 0.5426561373430223 Energy: 0.5440756855019817 Energy: 0.5426561373430223 Energy: 0.5440756855012165 Energy: 0.5426561373426398 Energy: 0.4881008347395248 Energy: 0.5446854476676294 Energy: 0.4881008347395248 Energy: 0.5446854476676294 Energy: 0.48810083473990734 Energy: 0.5446854476676294 Energy: 0.5409815939206232 Energy: 0.5189282558160815 Energy: 0.5409815939213884 Energy: 0.5189282558160815 Energy: 0.5409815939210059 Energy: 0.5189282558160815 Energy: 0.5210449461768836 Energy: 0.5264115461125158 Energy: 0.5210449461768836 Energy: 0.5264115461128984 Energy: 0.5210449461768836 Energy: 0.5264115461125158 Energy: 0.5151794406358599 Energy: 0.4883352117993533 Energy: 0.5151794406354773 Energy: 0.4883352117993533 Energy: 0.5151794406354773 Energy: 0.4883352117993533 Energy: 0.4847343225287902 Energy: 0.5263251653209147 Energy: 0.4847343225284076 Energy: 0.5263251653205321 Energy: 0.4847343225284076 Energy: 0.5263251653209147 Energy: 0.5387522242810441 Energy: 0.5066357292906609 Energy: 0.5387522242814266 Energy: 0.49243224864086693 Energy: 0.5387522242806615 Energy: 0.49243224864048435 Energy: 0.5208490956434331 Energy: 0.49903013453438144 Energy: 0.5208490956438157 Energy: 0.49903013453438144 Energy: 0.5208490956438157 Energy: 0.499030134534764 Energy: 0.4853688960485065 Energy: 0.5364039760531583 Energy: 0.4853688960481239 Energy: 0.5364039760531583 Energy: 0.48536889604888905 Energy: 0.5364039760531583 Energy: 0.48846413383863174 Energy: 0.48872477156580574 Energy: 0.48846413383863174 Energy: 0.48872477156580574 Energy: 0.4884641338378666 Energy: 0.48872477156580574 Energy: 0.5411582158404915 Energy: 0.5527519868523209 Energy: 0.5411582158404915 Energy: 0.55794824079 Energy: 0.541158215840109 Energy: 0.55794824079 Energy: 0.5415501775711601 Energy: 0.5347268954861463 Energy: 0.5415501775715428 Energy: 0.5347268954857637 Energy: 0.5415501775707775 Energy: 0.5347268954861463 Energy: 0.4885934190548335 Energy: 0.5116616420727615 Energy: 0.48859341905598114 Energy: 0.511661642073144 Energy: 0.4885934190548335 Energy: 0.511661642073144 Energy: 0.555974804603231 Energy: 0.5433747737860213 Energy: 0.5559748046036137 Energy: 0.5433747737860213 Energy: 0.5559748046036137 Energy: 0.5433747737860213 Energy: 0.49429640402614505 Energy: 0.5191984677843939 Energy: 0.49429640402576247 Energy: 0.5191984677843939 Energy: 0.49429640402614505 Energy: 0.5191984677840115 Energy: 0.5249556062040418 Energy: 0.5304602136655847 Energy: 0.5249556062036591 Energy: 0.5304602136659673 Energy: 0.5249556062036591 Energy: 0.5304602136655847 Energy: 0.506423740831432 Energy: 0.5186079597487385 Energy: 0.5064237408321973 Energy: 0.5186079597483559 Energy: 0.5064237408310497 Energy: 0.5186079597483559 Energy: 0.49235951718188126 Energy: 0.5185010463170661 Energy: 0.4923595171814987 Energy: 0.5185010463170661 Energy: 0.49235951718188126 Energy: 0.5185010463170661 Energy: 0.5419872078713379 Energy: 0.5022265454943784 Energy: 0.5419872078705726 Energy: 0.5022265454939958 Energy: 0.5419872078713379 Energy: 0.5022265454939958 Energy: 0.492356200329104 Energy: 0.49765473658339143 Energy: 0.492356200329104 Energy: 0.49765473658339143 Energy: 0.4923562003294866 Energy: 0.49765473658300885 minimum gb energy = 0.48208413626704677 eV minimum distance = 2.64008060319593 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.5798862678649619 Energy: 0.5394396031527434 Energy: 0.5798862678649619 Energy: 0.5394396031527434 Energy: 0.5798862678649619 Energy: 0.5394396031537879 Energy: 0.5424990312761773 Energy: 0.5663533663850615 Energy: 0.5424990312761773 Energy: 0.5663533663850615 Energy: 0.5424990312761773 Energy: 0.5663533663850615 Energy: 0.6134718563971677 Energy: 0.5662875213026277 Energy: 0.6162728975015364 Energy: 0.5662875213026277 Energy: 0.5982032194366631 Energy: 0.5662875213026277 Energy: 0.5868886719397385 Energy: 0.6033556781292123 Energy: 0.5868886719397385 Energy: 0.6033556781292123 Energy: 0.5868886719397385 Energy: 0.6033556781292123 Energy: 0.5947123712511148 Energy: 0.5722219842908738 Energy: 0.5947123712511148 Energy: 0.5722219842908738 Energy: 0.5947123712511148 Energy: 0.5722219842908738 Energy: 0.5956423027415313 Energy: 0.5803507532823553 Energy: 0.5956423027415313 Energy: 0.5803507532823553 Energy: 0.5956423027415313 Energy: 0.5803507532823553 Energy: 0.5795193018016572 Energy: 0.5406462973985677 Energy: 0.5795193018006127 Energy: 0.5406462973985677 Energy: 0.5795193018016572 Energy: 0.5406462973985677 Energy: 0.5624121763110457 Energy: 0.5649356336164735 Energy: 0.5624121763120901 Energy: 0.5649356336143844 Energy: 0.5624121763110457 Energy: 0.5649356336164735 Energy: 0.5437542535050647 Energy: 0.5372493363232052 Energy: 0.5437542535050647 Energy: 0.5372493363232052 Energy: 0.5437542535050647 Energy: 0.5372493363232052 Energy: 0.5808242591893612 Energy: 0.5509612640162389 Energy: 0.5808242591893612 Energy: 0.5509612640162389 Energy: 0.5808242591904057 Energy: 0.5509612640162389 Energy: 0.5442493615583484 Energy: 0.5663429193393563 Energy: 0.5442493615583484 Energy: 0.5663429193393563 Energy: 0.5442493615583484 Energy: 0.5663429193404007 Energy: 0.5672263509295967 Energy: 0.5661116514002619 Energy: 0.5672263509295967 Energy: 0.5661116514002619 Energy: 0.5672263509295967 Energy: 0.5661116514013064 Energy: 0.5910350938262344 Energy: 0.561387665824625 Energy: 0.5910350938262344 Energy: 0.561387665824625 Energy: 0.5910350938262344 Energy: 0.561387665824625 Energy: 0.5972765303880003 Energy: 0.5703454722217051 Energy: 0.5972765303880003 Energy: 0.5703454722217051 Energy: 0.5972765303880003 Energy: 0.5703454722217051 minimum gb energy = 0.5372493363232052 eV minimum distance = 2.55092296644437 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 0.596742959388353 Energy: 0.561607334792559 Energy: 0.5967429593888117 Energy: 0.5616073347921001 Energy: 0.596742959388353 Energy: 0.561607334792559 Energy: 0.5539488329983502 Energy: 0.5833803763528602 Energy: 0.5539488329978913 Energy: 0.5833803763533191 Energy: 0.5539488329978913 Energy: 0.5833803763533191 Energy: 0.6014890605574074 Energy: 0.5761540636610809 Energy: 0.616453964314953 Energy: 0.5761540636610809 Energy: 0.6014890605578661 Energy: 0.5761540636615397 Energy: 0.5854442109294296 Energy: 0.5659725031087609 Energy: 0.5854442109294296 Energy: 0.5659725031087609 Energy: 0.5854442109289707 Energy: 0.5659725031092196 Energy: 0.6060475595464277 Energy: 0.5820202335370686 Energy: 0.6060475595464277 Energy: 0.5820202335375274 Energy: 0.6060475595464277 Energy: 0.5820202335370686 Energy: 0.5917435497972754 Energy: 0.6020482496598866 Energy: 0.5917435497972754 Energy: 0.6020482496598866 Energy: 0.5917435497977341 Energy: 0.6020482496598866 Energy: 0.5827052744777214 Energy: 0.5700223992005021 Energy: 0.5827052744777214 Energy: 0.5700223992000432 Energy: 0.5827052744777214 Energy: 0.5700223992000432 Energy: 0.5659769260325961 Energy: 0.5837224080980125 Energy: 0.5659769260325961 Energy: 0.5837224080980125 Energy: 0.565976926033055 Energy: 0.5837224080980125 Energy: 0.5723469419810211 Energy: 0.5964335338878624 Energy: 0.5723469419810211 Energy: 0.5964335338874036 Energy: 0.5723469419810211 Energy: 0.5964335338878624 Energy: 0.5793837222257855 Energy: 0.5825691424699122 Energy: 0.5793837222257855 Energy: 0.582569143000079 Energy: 0.5793837222257855 Energy: 0.5825691409793342 Energy: 0.5585359142281163 Energy: 0.5853632033272564 Energy: 0.5585359142281163 Energy: 0.5853632033277154 Energy: 0.5585359142281163 Energy: 0.5853632033277154 Energy: 0.5963478010765183 Energy: 0.6030637350716044 Energy: 0.5963478010765183 Energy: 0.6030637350720632 Energy: 0.5963478010765183 Energy: 0.6030637350711455 Energy: 0.5755891400081083 Energy: 0.567673689760992 Energy: 0.5755891400085672 Energy: 0.5676736897605331 Energy: 0.5755891400076496 Energy: 0.5676736897605331 Energy: 0.6020120227614374 Energy: 0.580478328959982 Energy: 0.6020120227614374 Energy: 0.5804783289590643 Energy: 0.6020120227614374 Energy: 0.580478328959982 Energy: 0.5652151361405178 Energy: 0.5744146635734272 Energy: 0.5652151361396002 Energy: 0.5744146635734272 Energy: 0.565215136140059 Energy: 0.5744146635729683 Energy: 0.581356788228967 Energy: 0.6123751537226406 Energy: 0.5813567882294259 Energy: 0.6123751537226406 Energy: 0.5813567882294259 Energy: 0.6123751537226406 Energy: 0.5805659388051573 Energy: 0.5829959059493905 Energy: 0.5805659388060749 Energy: 0.5829959059503083 Energy: 0.5805659388060749 Energy: 0.5829959059493905 Energy: 0.5830838597730176 Energy: 0.5861933612469018 Energy: 0.5830838597730176 Energy: 0.5861933612464431 Energy: 0.5830838597730176 Energy: 0.5861933612464431 Energy: 0.5839100009831292 Energy: 0.5526011038037341 Energy: 0.5839100009831292 Energy: 0.5526011038032752 Energy: 0.5839100009831292 Energy: 0.5526011038037341 Energy: 0.6018202531706146 Energy: 0.5794406715916497 Energy: 0.6018202531706146 Energy: 0.5794406715921084 Energy: 0.6018202531701558 Energy: 0.5794406715916497 Energy: 0.5604600768512276 Energy: 0.5653532637934079 Energy: 0.5604600768512276 Energy: 0.565353263792949 Energy: 0.5604600768512276 Energy: 0.565353263792949 Energy: 0.59575298143024 Energy: 0.5896030087207728 Energy: 0.5957529814306988 Energy: 0.5896030087203139 Energy: 0.5957529814306988 Energy: 0.5896030087207728 Energy: 0.5581874557877083 Energy: 0.5723031647207532 Energy: 0.5581874557872495 Energy: 0.5723031647202944 Energy: 0.5581874557872495 Energy: 0.5723031647207532 Energy: 0.5840842118814288 Energy: 0.583201890045807 Energy: 0.5840842118814288 Energy: 0.583201890045807 Energy: 0.5840842118814288 Energy: 0.5832018900453482 Energy: 0.5859277277971866 Energy: 0.5800510694697902 Energy: 0.5859277277976456 Energy: 0.5800510694684138 Energy: 0.5859277277971866 Energy: 0.5800510694688726 Energy: 0.5655497824211471 Energy: 0.5786042462860401 Energy: 0.5655497824211471 Energy: 0.5786042462855812 Energy: 0.5655497824211471 Energy: 0.5786042462860401 Energy: 0.5899013190737694 Energy: 0.5932106329142376 Energy: 0.5899013190733107 Energy: 0.5932106329133199 Energy: 0.5899013190737694 Energy: 0.5932106329137787 Energy: 0.5798698077072021 Energy: 0.5568811525344142 Energy: 0.5798698077067431 Energy: 0.5568811525344142 Energy: 0.5798698077067431 Energy: 0.5568811525344142 Energy: 0.5761727857812606 Energy: 0.5877834710237367 Energy: 0.5761727857812606 Energy: 0.5877834710237367 Energy: 0.5761727857808018 Energy: 0.5877834710237367 Energy: 0.5656733620120036 Energy: 0.5531435148777298 Energy: 0.5656733620115446 Energy: 0.5531435148781887 Energy: 0.5656733620115446 Energy: 0.5531435148772709 Energy: 0.5794281419316596 Energy: 0.604344544924448 Energy: 0.5794281419312008 Energy: 0.604344544924448 Energy: 0.5794281419316596 Energy: 0.604344544924448 minimum gb energy = 0.5526011038032752 eV minimum distance = 2.51271424144321 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 0.5185943258915254 Energy: 0.5075451997919087 Energy: 0.518594325890709 Energy: 0.5075451997919087 Energy: 0.5185943258915254 Energy: 0.5075451997919087 Energy: 0.5881046422325433 Energy: 0.5329197380154571 Energy: 0.5881046422325433 Energy: 0.5329197380154571 Energy: 0.5881046422325433 Energy: 0.5329197380154571 Energy: 0.5463121716710068 Energy: 0.5331346495517404 Energy: 0.5463121716710068 Energy: 0.5331346495517404 Energy: 0.5463121716710068 Energy: 0.5331346495517404 Energy: 0.5129965442153765 Energy: 0.6868570266343692 Energy: 0.5129965442153765 Energy: 0.5443494093890741 Energy: 0.5129965442153765 Energy: 0.5443494093890741 Energy: 0.5468350978527912 Energy: 0.5331399543743766 Energy: 0.5468350978527912 Energy: 0.533139954375193 Energy: 0.5468350978527912 Energy: 0.5331399543743766 Energy: 0.5880876095063697 Energy: 0.5329055720568978 Energy: 0.5880876095071862 Energy: 0.5654653217961296 Energy: 0.5880876095063697 Energy: 0.5654653217953316 Energy: 0.518594325890709 Energy: 0.5075451997911108 Energy: 0.518594325890709 Energy: 0.5075451997911108 Energy: 0.5185943258915254 Energy: 0.5075451997911108 Energy: 0.5881046422325433 Energy: 0.5329197380162736 Energy: 0.5881046422333599 Energy: 0.5329197380154571 Energy: 0.5881046422325433 Energy: 0.5329197380162736 Energy: 0.5463121716710068 Energy: 0.5331346495517404 Energy: 0.5463121716710068 Energy: 0.5331346495517404 Energy: 0.5463121716710068 Energy: 0.5331346495517404 Energy: 0.5129965442153765 Energy: 0.5978546445099648 Energy: 0.5129965442145601 Energy: 0.5443494093890741 Energy: 0.5129965442153765 Energy: 0.5443494093890741 Energy: 0.5468350978536076 Energy: 0.533139954375193 Energy: 0.5468350978536076 Energy: 0.533139954375193 Energy: 0.5468350978536076 Energy: 0.5331399543743766 Energy: 0.5880876095071862 Energy: 0.5329055720568978 Energy: 0.5880876095071862 Energy: 0.5329055720560814 Energy: 0.5880876095071862 Energy: 0.5329055720560814 Energy: 0.5185943258915254 Energy: 0.5075451997919087 Energy: 0.518594325890709 Energy: 0.5075451997919087 Energy: 0.5185943258915254 Energy: 0.5075451997919087 Energy: 0.5881046422325433 Energy: 0.5329197380162736 Energy: 0.5881046422325433 Energy: 0.5329197380154571 Energy: 0.5881046422325433 Energy: 0.5329197380154571 Energy: 0.5463121716710068 Energy: 0.5331346495517404 Energy: 0.5463121716710068 Energy: 0.5331346495517404 Energy: 0.5463121716710068 Energy: 0.5331346495517404 Energy: 0.5129965442153765 Energy: 0.5443494093890741 Energy: 0.5129965442153765 Energy: 0.5443494093890741 Energy: 0.5129965442153765 Energy: 0.5443494093890741 Energy: 0.5468350978519746 Energy: 0.533139954375193 Energy: 0.5468350978527912 Energy: 0.5331399543743766 Energy: 0.5468350978527912 Energy: 0.533139954375193 minimum gb energy = 0.5075451997911108 eV minimum distance = 2.58745760844595 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 0.5831998091838486 Energy: 0.5488353851925265 Energy: 0.5831998091831818 Energy: 0.5488353851918597 Energy: 0.5831998091831818 Energy: 0.5488353851925265 Energy: 0.5697622431693757 Energy: 0.5712829006835289 Energy: 0.5697622431693757 Energy: 0.5712829006835289 Energy: 0.5697622431693757 Energy: 0.5712829006835289 Energy: 0.5869723695018854 Energy: 0.5642171034179096 Energy: 0.5869723695018854 Energy: 0.5642171034185763 Energy: 0.5869723695018854 Energy: 0.5642171034185763 Energy: 0.5631114478630552 Energy: 0.5972005104167284 Energy: 0.5631114478643886 Energy: 0.5972005104160617 Energy: 0.5631114478637219 Energy: 0.5972005104160617 Energy: 0.5618107971837549 Energy: 0.5703433969434685 Energy: 0.5618107971837549 Energy: 0.570343396944135 Energy: 0.5618107971837549 Energy: 0.570343396944135 Energy: 0.5651629144573842 Energy: 0.5717528542251781 Energy: 0.5651629144567175 Energy: 0.5717528542251781 Energy: 0.5651629144573842 Energy: 0.5717528542258448 Energy: 0.5626422249613219 Energy: 0.5851861604397057 Energy: 0.5626422249613219 Energy: 0.5851861604397057 Energy: 0.5626422249613219 Energy: 0.5851861604397057 Energy: 0.5610703481296697 Energy: 0.5820046314507279 Energy: 0.5610703481296697 Energy: 0.5820046314507279 Energy: 0.5610703481296697 Energy: 0.5820046314513946 Energy: 0.6294580760379458 Energy: 0.5814853253218628 Energy: 0.6294580760379458 Energy: 0.5814853253225295 Energy: 0.6294580760372791 Energy: 0.5814853253231962 Energy: 0.5633959351353186 Energy: 0.5724799434040583 Energy: 0.5633959351353186 Energy: 0.5724799434040583 Energy: 0.563395935136652 Energy: 0.5724799434040583 Energy: 0.5518410909627327 Energy: 0.5718893351627141 Energy: 0.551841090962066 Energy: 0.5718893351627141 Energy: 0.5518410909627327 Energy: 0.5718893351627141 Energy: 0.5928396552575161 Energy: 0.5778338774072379 Energy: 0.5928396552568495 Energy: 0.5778338774072379 Energy: 0.5928396552575161 Energy: 0.5778338774072379 Energy: 0.5703832013610933 Energy: 0.5993417066762415 Energy: 0.5703832013604268 Energy: 0.5993417066762415 Energy: 0.5703832013610933 Energy: 0.5993417066762415 Energy: 0.5636402389666276 Energy: 0.5688001421585261 Energy: 0.5636402389666276 Energy: 0.5688001421605261 Energy: 0.5636402389666276 Energy: 0.5688001421638595 Energy: 0.5919943861140959 Energy: 0.5694878011042201 Energy: 0.5919943861140959 Energy: 0.5694878011035535 Energy: 0.5919943861147626 Energy: 0.5694878011048867 Energy: 0.585777677082167 Energy: 0.5660265258077797 Energy: 0.585777677082167 Energy: 0.5660265258084465 Energy: 0.585777677082167 Energy: 0.5660265258097797 Energy: 0.5781403669262494 Energy: 0.5669644294986321 Energy: 0.5781403669295826 Energy: 0.5669644294979654 Energy: 0.5781403669282493 Energy: 0.5669644294979654 Energy: 0.6138389403252277 Energy: 0.5754915503235499 Energy: 0.6138389403252277 Energy: 0.5754915503228832 Energy: 0.6138389403252277 Energy: 0.5754915503215499 Energy: 0.5580452043179951 Energy: 0.5717717608297979 Energy: 0.5580452043173283 Energy: 0.5717717608304647 Energy: 0.5580452043179951 Energy: 0.5717717608297979 Energy: 0.563308843137481 Energy: 0.5498338391583144 Energy: 0.5633088431381477 Energy: 0.5498338391569811 Energy: 0.5633088431368143 Energy: 0.5498338391576477 Energy: 0.591009541409027 Energy: 0.5763023707663605 Energy: 0.591009541409027 Energy: 0.5763023707663605 Energy: 0.5910095414083603 Energy: 0.5763023707670273 minimum gb energy = 0.5488353851918597 eV minimum distance = 2.58555480690713 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 0.5658293399879333 Energy: 0.547446293579824 Energy: 0.5658293399873714 Energy: 0.547446293579262 Energy: 0.5658293399879333 Energy: 0.547446293580386 Energy: 0.5429943633651874 Energy: 0.5602359124228635 Energy: 0.5429943633657494 Energy: 0.560235912493083 Energy: 0.5429943633640635 Energy: 0.5602359128542699 Energy: 0.5802941619718032 Energy: 0.5480811124893822 Energy: 0.5802940132191065 Energy: 0.5480811124893822 Energy: 0.5802943761345611 Energy: 0.5480811124899442 Energy: 0.5659709271334603 Energy: 0.5795235911753901 Energy: 0.5659690802600454 Energy: 0.5795235911753901 Energy: 0.5659768395161453 Energy: 0.5795235911725802 Energy: 0.5592921196057451 Energy: 0.5464707088771363 Energy: 0.5592921196079929 Energy: 0.5464707088765745 Energy: 0.5592921196096788 Energy: 0.5464707088776983 Energy: 0.5504150429307657 Energy: 0.5678852898944663 Energy: 0.5504150429307657 Energy: 0.5678852898944663 Energy: 0.5504150429307657 Energy: 0.5678852898933423 Energy: 0.566042261208703 Energy: 0.5431553936135913 Energy: 0.5660422612092649 Energy: 0.5431553936135913 Energy: 0.5660422612092649 Energy: 0.5431553936135913 Energy: 0.5815740674748578 Energy: 0.5797937016281677 Energy: 0.5815740690701088 Energy: 0.5797937016292917 Energy: 0.5815740682556245 Energy: 0.5797937016292917 Energy: 0.545306851175384 Energy: 0.5682163120496905 Energy: 0.545306851175384 Energy: 0.5682163120496905 Energy: 0.545306851175946 Energy: 0.5682163120496905 Energy: 0.5659761719278308 Energy: 0.5427889707133547 Energy: 0.5659721044964281 Energy: 0.5427889707139167 Energy: 0.5659742910243223 Energy: 0.5427889707139167 Energy: 0.5658564578886568 Energy: 0.5427937310431575 Energy: 0.5658561679348801 Energy: 0.5427937310431575 Energy: 0.5658548446575473 Energy: 0.5427937310431575 Energy: 0.5452377795690462 Energy: 0.5680712686787718 Energy: 0.5452377795690462 Energy: 0.5680712686804575 Energy: 0.5452377795690462 Energy: 0.5680712686787718 Energy: 0.5820869881192378 Energy: 0.5798635452026278 Energy: 0.5820869881209236 Energy: 0.5798635452026278 Energy: 0.5820869881220475 Energy: 0.579863545202066 Energy: 0.5660360483598367 Energy: 0.5431673634776927 Energy: 0.5660360483592748 Energy: 0.5431673634782547 Energy: 0.5660360483587128 Energy: 0.5431673634776927 Energy: 0.5504359684918342 Energy: 0.5679308573604527 Energy: 0.5504359684923961 Energy: 0.5679308573610147 Energy: 0.5504359684923961 Energy: 0.5679308573615767 Energy: 0.5593491118936756 Energy: 0.5464920056265263 Energy: 0.5593491118947996 Energy: 0.5464920056276503 Energy: 0.5593491118942376 Energy: 0.5464920056270884 Energy: 0.566036983960383 Energy: 0.579622306603641 Energy: 0.5660461556450983 Energy: 0.579622306603641 Energy: 0.5660424818142801 Energy: 0.579622306603641 Energy: 0.5802584738686558 Energy: 0.5479431990881573 Energy: 0.5802557270975642 Energy: 0.5479431990875953 Energy: 0.5802588716214087 Energy: 0.5479431990875953 Energy: 0.5429102138416404 Energy: 0.560182661432841 Energy: 0.5429102138422024 Energy: 0.5601826534863197 Energy: 0.5429102138422024 Energy: 0.5601826661697286 Energy: 0.5658293399879333 Energy: 0.547446293580386 Energy: 0.5658293399873714 Energy: 0.547446293580386 Energy: 0.5658293399873714 Energy: 0.547446293579824 Energy: 0.5429943633640635 Energy: 0.5602359126952864 Energy: 0.5429943633646254 Energy: 0.5602359126638422 Energy: 0.5429943633651874 Energy: 0.5602359129160599 Energy: 0.5802940210426096 Energy: 0.5480811124916299 Energy: 0.5802942078809625 Energy: 0.5480811124893822 Energy: 0.5802941702334563 Energy: 0.5480811124910681 Energy: 0.5659734340626539 Energy: 0.579523591176514 Energy: 0.5659798734077395 Energy: 0.579523591176514 Energy: 0.5659671055975152 Energy: 0.5795235911753901 Energy: 0.5592921196068691 Energy: 0.5464707088776983 Energy: 0.5592921196074309 Energy: 0.5464707088776983 Energy: 0.5592921196074309 Energy: 0.5464707088765745 Energy: 0.5504150429290798 Energy: 0.5678852898939043 Energy: 0.5504150429285435 Energy: 0.5678852898927804 Energy: 0.5504150429318897 Energy: 0.5678852898950283 minimum gb energy = 0.5427889707133547 eV minimum distance = 2.61310320210138 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 0.5655788992156041 Energy: 0.5840221437934228 Energy: 0.5655788992156041 Energy: 0.5840221437939078 Energy: 0.5655788992156041 Energy: 0.5840221437934228 Energy: 0.5818006995599995 Energy: 0.5652860393679373 Energy: 0.5818006995599995 Energy: 0.5652860393689075 Energy: 0.5818006995595144 Energy: 0.5652860393679373 Energy: 0.5762882850281137 Energy: 0.5413636296419102 Energy: 0.5762882850281137 Energy: 0.5413636296428804 Energy: 0.5762882850281137 Energy: 0.5413636296409402 Energy: 0.5418168566555873 Energy: 0.5849154913693672 Energy: 0.5418168566551023 Energy: 0.5849154913693672 Energy: 0.5418168566555873 Energy: 0.5849154913693672 Energy: 0.5762988219511652 Energy: 0.5868102430875063 Energy: 0.5762988219511652 Energy: 0.5868102430875063 Energy: 0.5762988219511652 Energy: 0.5868102430875063 Energy: 0.5921245670085115 Energy: 0.5481571005837224 Energy: 0.5921245670085115 Energy: 0.5481571005837224 Energy: 0.5921245670080264 Energy: 0.5481571005837224 Energy: 0.5405838326873904 Energy: 0.5789914044706597 Energy: 0.5405838326869054 Energy: 0.5789914044706597 Energy: 0.5405838326873904 Energy: 0.5789914044706597 Energy: 0.5530208319962684 Energy: 0.5969311319691731 Energy: 0.5530208320083955 Energy: 0.5969311319696583 Energy: 0.5530208319899845 Energy: 0.5969311319701434 Energy: 0.6043568661745897 Energy: 0.5346521674917463 Energy: 0.6043568661745897 Energy: 0.5346521674922313 Energy: 0.6043568661745897 Energy: 0.5346521674917463 Energy: 0.573482686208237 Energy: 0.5767510075283409 Energy: 0.573482686208722 Energy: 0.576751007529311 Energy: 0.573482686208237 Energy: 0.5767510075288259 Energy: 0.5360336465940654 Energy: 0.5811711149365243 Energy: 0.5360336465950355 Energy: 0.5811711149365243 Energy: 0.5360336465950355 Energy: 0.5811711149365243 Energy: 0.5908318466301522 Energy: 0.5428597625681707 Energy: 0.590831846629667 Energy: 0.5428597625672005 Energy: 0.5908318466301522 Energy: 0.5428597625681707 Energy: 0.5782365017587955 Energy: 0.5639153831842709 Energy: 0.5782365017587955 Energy: 0.5639153831852411 Energy: 0.5782365017587955 Energy: 0.5639153831857262 Energy: 0.5468246826927351 Energy: 0.585599290634957 Energy: 0.546824682691765 Energy: 0.5855992906344719 Energy: 0.546824682691765 Energy: 0.585599290634957 Energy: 0.5844036160006827 Energy: 0.544981580892129 Energy: 0.5844036160011677 Energy: 0.5449815815617357 Energy: 0.5844036160001976 Energy: 0.5449815924173295 Energy: 0.5735464086628124 Energy: 0.5352048284745965 Energy: 0.5735464086632974 Energy: 0.5352048284745965 Energy: 0.5735464086632974 Energy: 0.5352048284745965 Energy: 0.54648843243026 Energy: 0.5850259463304425 Energy: 0.5464884324307451 Energy: 0.5850259463304425 Energy: 0.5464884324307451 Energy: 0.5850259463309275 Energy: 0.578757710418311 Energy: 0.5769738185211888 Energy: 0.578757710418311 Energy: 0.5769738186356232 Energy: 0.578757710417826 Energy: 0.5769738184872554 Energy: 0.5758025495897292 Energy: 0.5474076690349877 Energy: 0.5758025495897292 Energy: 0.5474076690340176 Energy: 0.5758025495897292 Energy: 0.5474076690335326 Energy: 0.5544532866087958 Energy: 0.5837223716888266 Energy: 0.5544532866087958 Energy: 0.5837223716888266 Energy: 0.5544532866087958 Energy: 0.5837223716883415 Energy: 0.5456421019284335 Energy: 0.5967573625244269 Energy: 0.5456421019294038 Energy: 0.5967573625244269 Energy: 0.5456421019284335 Energy: 0.5967573625244269 Energy: 0.6048456598158487 Energy: 0.5413284968974866 Energy: 0.6048456598158487 Energy: 0.5413284968984567 Energy: 0.6048456598158487 Energy: 0.5413284968979717 Energy: 0.5909580214607433 Energy: 0.5730571234767173 Energy: 0.5909580214612281 Energy: 0.5730571234767173 Energy: 0.5909580214607433 Energy: 0.5730571234767173 Energy: 0.5619414167942521 Energy: 0.5805854387602727 Energy: 0.5619414167947373 Energy: 0.5805854387602727 Energy: 0.5619414167952224 Energy: 0.5805854387607576 Energy: 0.5769035853668364 Energy: 0.5413316897629367 Energy: 0.5769035853673216 Energy: 0.5413316897697056 Energy: 0.5769035853668364 Energy: 0.5413316897619666 Energy: 0.5795704658948201 Energy: 0.548913733965925 Energy: 0.5795704658948201 Energy: 0.548913733848117 Energy: 0.5795704658953051 Energy: 0.54891373387817 Energy: 0.532933757369972 Energy: 0.58444877207743 Energy: 0.532933757369972 Energy: 0.584448772076945 Energy: 0.5329337573709421 Energy: 0.58444877207743 Energy: 0.5809757290758285 Energy: 0.5581995592184675 Energy: 0.5809757290763136 Energy: 0.5581995592199227 Energy: 0.5809757290758285 Energy: 0.5581995592199227 Energy: 0.5777579272267702 Energy: 0.5476244359442038 Energy: 0.5777579272272553 Energy: 0.5476244359432337 Energy: 0.5777579272267702 Energy: 0.5476244359437188 minimum gb energy = 0.532933757369972 eV minimum distance = 2.58549259854502 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 0.5277016221973414 Energy: 0.5844496585342767 Energy: 0.5277016221969149 Energy: 0.584449658534703 Energy: 0.5277016221969149 Energy: 0.584449658534703 Energy: 0.5601090530999087 Energy: 0.5406206988674723 Energy: 0.5601089865313901 Energy: 0.540620698867046 Energy: 0.5601089899922903 Energy: 0.5321519666128173 Energy: 0.5829658054025688 Energy: 0.5149466379093687 Energy: 0.5829658054029953 Energy: 0.5149466379085159 Energy: 0.5829658054025688 Energy: 0.5149466379085159 Energy: 0.5000483988894814 Energy: 0.5784184740947904 Energy: 0.5000483988894814 Energy: 0.5876326531305018 Energy: 0.5000483988882021 Energy: 0.5876326531313547 Energy: 0.5385261526946479 Energy: 0.548226599709748 Energy: 0.5385261526950742 Energy: 0.548226599709748 Energy: 0.5385261526937951 Energy: 0.5482265997093215 Energy: 0.5855887874831089 Energy: 0.5095482170143789 Energy: 0.5855887874831089 Energy: 0.5095482170143789 Energy: 0.5855887874831089 Energy: 0.5095482170143789 Energy: 0.5337771060694362 Energy: 0.5549617637467862 Energy: 0.5337771060762587 Energy: 0.5549617637463597 Energy: 0.5337771060749795 Energy: 0.5549617637467862 Energy: 0.5000679721893463 Energy: 0.5631293181440357 Energy: 0.5000679721893463 Energy: 0.5678850971805837 Energy: 0.5000679721893463 Energy: 0.5678850971810101 Energy: 0.5840380691183472 Energy: 0.5103062361603171 Energy: 0.5840380691179208 Energy: 0.510306236161577 Energy: 0.5840380691174943 Energy: 0.5103062361607242 Energy: 0.5336654453126007 Energy: 0.5825245829845312 Energy: 0.5336654453126007 Energy: 0.562888852949405 Energy: 0.5336654453121743 Energy: 0.5628888529485523 Energy: 0.4989157318862449 Energy: 0.6210629868493723 Energy: 0.49891573188667127 Energy: 0.6210629868497988 Energy: 0.49891573188667127 Energy: 0.6210629868502252 Energy: 0.5690147261974278 Energy: 0.5239687569271133 Energy: 0.569014726196575 Energy: 0.5239687569262604 Energy: 0.5690147261970013 Energy: 0.5239687569266869 Energy: 0.5715302995798152 Energy: 0.5150391906426287 Energy: 0.5715302995802222 Energy: 0.515039190459351 Energy: 0.5715302995802222 Energy: 0.5150391903285019 Energy: 0.5303760818221989 Energy: 0.5724009201982877 Energy: 0.5303760818217724 Energy: 0.5724009201987141 Energy: 0.5303760818217724 Energy: 0.5724009201987141 Energy: 0.5612337794651626 Energy: 0.5481375550708935 Energy: 0.5612337794638834 Energy: 0.5481375550708935 Energy: 0.561233779468128 Energy: 0.5481375550708935 Energy: 0.5844525512077509 Energy: 0.5163080391163731 Energy: 0.5844525512077509 Energy: 0.5163080391159467 Energy: 0.5844525512077509 Energy: 0.5163080391159467 Energy: 0.49944798176147914 Energy: 0.5615524551027824 Energy: 0.49944798176147914 Energy: 0.5615524551023559 Energy: 0.4994479817606264 Energy: 0.5615524551027824 Energy: 0.49702102101726187 Energy: 0.5798761822465787 Energy: 0.4970210210176883 Energy: 0.5798761822470051 Energy: 0.4970210210168355 Energy: 0.5798761822470051 Energy: 0.5841667757612183 Energy: 0.5105285334475032 Energy: 0.5841667757607919 Energy: 0.5105285334470767 Energy: 0.5841667757612183 Energy: 0.5105285334470767 Energy: 0.533636452668954 Energy: 0.5579633919837206 Energy: 0.5336364526698069 Energy: 0.5579633919837206 Energy: 0.533636452668954 Energy: 0.5579633919828678 Energy: 0.5058975224644794 Energy: 0.6099995896799119 Energy: 0.5058975224653322 Energy: 0.6099995896799119 Energy: 0.5058975224649058 Energy: 0.6099995896799119 Energy: 0.575077066872805 Energy: 0.5097762878853757 Energy: 0.5750770668723786 Energy: 0.5097762878849492 Energy: 0.575077066872805 Energy: 0.509776287885802 Energy: 0.5746036860885726 Energy: 0.50735576507042 Energy: 0.5746036860885726 Energy: 0.5073557651300977 Energy: 0.5746036860877196 Energy: 0.5073557652724404 Energy: 0.5000285881590647 Energy: 0.5872389136004487 Energy: 0.5000285881590647 Energy: 0.5872389136004487 Energy: 0.5000285881594911 Energy: 0.5872389136008751 Energy: 0.5689365704662037 Energy: 0.546058134006586 Energy: 0.5689365704666302 Energy: 0.5460581340061597 Energy: 0.5689365704662037 Energy: 0.546058134006586 Energy: 0.574909125403716 Energy: 0.516367893382406 Energy: 0.574909125404569 Energy: 0.516367893382406 Energy: 0.5749091254041425 Energy: 0.516367893382406 Energy: 0.5278532916426231 Energy: 0.5641724863209795 Energy: 0.5278532916439023 Energy: 0.5641724863209795 Energy: 0.5278532916421966 Energy: 0.5641724863209795 Energy: 0.5295713748018822 Energy: 0.5680159371978643 Energy: 0.5295719822910857 Energy: 0.5680159371978643 Energy: 0.529572037424161 Energy: 0.5680159371982908 Energy: 0.5872380270467976 Energy: 0.5147767465769033 Energy: 0.5872380270463712 Energy: 0.5147767465769033 Energy: 0.5872380270463712 Energy: 0.5147767465760503 Energy: 0.49771565939733414 Energy: 0.5679681037133719 Energy: 0.4977156592234373 Energy: 0.5679681037133719 Energy: 0.4977156591130558 Energy: 0.5679681037133719 Energy: 0.4994862106816878 Energy: 0.5699595294771438 Energy: 0.4994862106816878 Energy: 0.5699595294771438 Energy: 0.4994862106821142 Energy: 0.5699595294771438 Energy: 0.5748264906912639 Energy: 0.5098367695113514 Energy: 0.5748264906912639 Energy: 0.5098367695104985 Energy: 0.5748264906912639 Energy: 0.5098367695109248 Energy: 0.5713148119041097 Energy: 0.5073115878402792 Energy: 0.5713148119036833 Energy: 0.50731158791147 Energy: 0.5713148119036833 Energy: 0.5073115878654374 minimum gb energy = 0.4970210210168355 eV minimum distance = 2.60093990269597 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.011733831034514265 Energy: 0.3926116857981736 Energy: 0.011733831034514265 Energy: 0.3926116857978193 Energy: 0.011733831034514265 Energy: 0.3926116857978193 Energy: 0.013135604269628403 Energy: 0.17518772223989293 Energy: 0.013135604269628403 Energy: 0.17518772223989293 Energy: 0.013135604269628403 Energy: 0.17518772223989293 Energy: 0.3929436498908944 Energy: 0.17554058835769354 Energy: 0.392943656892657 Energy: 0.17554516790024846 Energy: 1.153063875097747 Energy: 0.1755460982516809 Energy: 0.01313560426996301 Energy: 0.17518772223989293 Energy: 0.01313560426996301 Energy: 0.17518772223953866 Energy: 0.01313560426996301 Energy: 0.17518772223953866 minimum gb energy = 0.011733831034514265 eV minimum distance = 2.83530858827364 Angstroms sigma value = 1