Model name: model_name=EAM_QuinticHermiteSpline_ErcolessiAdams_1994_Al__MO_781138671863_002 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=4.0320824623107905 cohesive_energy=3.3602642540255827 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: 0.010444235989583184 Energy: 0.4118024757304351 Energy: 0.010444235989835269 Energy: 0.4118024757304351 Energy: 0.010444235989835269 Energy: 0.4118024757304351 Energy: 0.4118024757304351 Energy: 0.4118024757304351 Energy: 0.4118024757304351 Energy: 0.4118024757304351 Energy: 0.4118024757304351 Energy: 0.4118024757304351 Energy: 0.010444235989583184 Energy: 0.4118024757304351 Energy: 0.010444235989583184 Energy: 0.4118024757304351 Energy: 0.010444235989835269 Energy: 0.4118024757304351 Energy: 0.4118024757304351 Energy: 0.4118024757304351 Energy: 0.4118024757304351 Energy: 0.4118024757304351 Energy: 0.4118024757304351 Energy: 0.4118024757304351 Energy: 0.010444235989583184 Energy: 0.4118024757304351 Energy: 0.010444235989583184 Energy: 0.4118024757304351 Energy: 0.010444235989835269 Energy: 0.4118024757304351 Energy: 0.4118024757304351 Energy: 0.4118024757304351 Energy: 0.4118024757304351 Energy: 0.4118024757304351 Energy: 0.4118024757304351 Energy: 0.4118024757304351 minimum gb energy = 0.010444235989583184 eV minimum distance = 2.78715219003191 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 0.544655229049112 Energy: 0.5525910139757647 Energy: 0.5446552290478984 Energy: 0.5525910139757647 Energy: 0.5446552290485052 Energy: 0.5525910139757647 Energy: 0.6114917344859525 Energy: 0.48784015736298725 Energy: 0.6114917344853457 Energy: 0.48784015736298725 Energy: 0.6114917344853457 Energy: 0.48784015736298725 Energy: 0.5232360822374688 Energy: 0.5596346522663257 Energy: 0.5232360822374688 Energy: 0.5596346522675393 Energy: 0.5232360822374688 Energy: 0.5596346522675393 Energy: 0.5931068414213068 Energy: 0.5022173642019404 Energy: 0.5931068414213068 Energy: 0.5022173642019404 Energy: 0.5931068414213068 Energy: 0.5022173642019404 Energy: 0.5292036363588722 Energy: 0.5674121688399562 Energy: 0.5292036363588722 Energy: 0.5674121688399562 Energy: 0.5292036363582653 Energy: 0.5674121688399562 Energy: 0.5460128679230375 Energy: 0.4970316647673354 Energy: 0.5460128679230375 Energy: 0.4970316647673354 Energy: 0.5460128679230375 Energy: 0.49703166476794214 Energy: 0.5157047000147018 Energy: 0.5407670999825883 Energy: 0.5157047000140951 Energy: 0.5407670999819816 Energy: 0.5157047000147018 Energy: 0.5407670999825883 Energy: 0.5006527222503835 Energy: 0.5844850958889803 Energy: 0.5006527222497767 Energy: 0.5844850958895871 Energy: 0.5006527222497767 Energy: 0.5844850958889803 Energy: 0.5606178861395764 Energy: 0.5359026660419229 Energy: 0.5606178861395764 Energy: 0.5359026660419229 Energy: 0.5606178861389697 Energy: 0.5359026660419229 Energy: 0.484413241125689 Energy: 0.5550598467579161 Energy: 0.4844132411250822 Energy: 0.5550598467603434 Energy: 0.4844132411250822 Energy: 0.5550598467603434 Energy: 0.5160011517163315 Energy: 0.48635342058270603 Energy: 0.5160011517163315 Energy: 0.48635342058270603 Energy: 0.5160011517163315 Energy: 0.48635342058270603 Energy: 0.4855206783497959 Energy: 0.6373226827428309 Energy: 0.4855206783510094 Energy: 0.6373226827440446 Energy: 0.4855206783497959 Energy: 0.6373226827434377 Energy: 0.5837718491337499 Energy: 0.4785880442949784 Energy: 0.5837718491325362 Energy: 0.4785880442949784 Energy: 0.5837718491331431 Energy: 0.4785880442949784 Energy: 0.5056313668823302 Energy: 0.510302033087358 Energy: 0.5056313668823302 Energy: 0.510302033087358 Energy: 0.5056313668823302 Energy: 0.510302033087358 Energy: 0.6208904798388697 Energy: 0.49292229510499513 Energy: 0.6208904798388697 Energy: 0.49292229510499513 Energy: 0.6208904798388697 Energy: 0.49292229510499513 Energy: 0.592158827758481 Energy: 0.5582904488609657 Energy: 0.592158827758481 Energy: 0.558290448860359 Energy: 0.5921588277578742 Energy: 0.5582904488609657 Energy: 0.5286845510302172 Energy: 0.5193242976344492 Energy: 0.5286845510314307 Energy: 0.5193242976344492 Energy: 0.5286845510320375 Energy: 0.5193242976344492 Energy: 0.5244858186871509 Energy: 0.5296900880730876 Energy: 0.5244858186895782 Energy: 0.5296900880730876 Energy: 0.5244858186889714 Energy: 0.5296900880730876 Energy: 0.518019232124848 Energy: 0.504537911659977 Energy: 0.5180192321254272 Energy: 0.5045379116611904 Energy: 0.5180192321260341 Energy: 0.5045379116605837 Energy: 0.5841911470524729 Energy: 0.4971324952548006 Energy: 0.5841911470524729 Energy: 0.4971324952548006 Energy: 0.5841911470524729 Energy: 0.49713249525540737 Energy: 0.5026912551153042 Energy: 0.6528367645887042 Energy: 0.5026912551146975 Energy: 0.6528367645887042 Energy: 0.5026912551153042 Energy: 0.6528367645887042 Energy: 0.544239378730814 Energy: 0.5352748013141307 Energy: 0.544239378730814 Energy: 0.5352748013141307 Energy: 0.544239378730814 Energy: 0.5352748013147375 Energy: 0.4727291142453803 Energy: 0.5739267267505419 Energy: 0.4727291142459871 Energy: 0.5739267267511488 Energy: 0.47272911424477354 Energy: 0.5739267267517555 minimum gb energy = 0.47272911424477354 eV minimum distance = 2.58791720210849 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 0.5515243717739263 Energy: 0.525888510340236 Energy: 0.5130905735193262 Energy: 0.5258885103416165 Energy: 0.5515243717697846 Energy: 0.5258885103429972 Energy: 0.5827867699591097 Energy: 0.507816008376528 Energy: 0.5827867699591097 Energy: 0.5078160083803246 Energy: 0.5827867699580743 Energy: 0.5078160083837759 Energy: 0.5180065811750137 Energy: 0.48931603940381774 Energy: 0.518006581173288 Energy: 0.4893160394017469 Energy: 0.5180065811739782 Energy: 0.4893160394024372 Energy: 0.5910329157895976 Energy: 0.5502556387016253 Energy: 0.5910329157892524 Energy: 0.5502556387033511 Energy: 0.5910329157871815 Energy: 0.5502556387043865 Energy: 0.5325266274524114 Energy: 0.5920389302194171 Energy: 0.5325266274482697 Energy: 0.5920389302218332 Energy: 0.532526627455863 Energy: 0.5920389302228686 Energy: 0.5113177902703475 Energy: 0.517800204066733 Energy: 0.5113177902710377 Energy: 0.5178261679787733 Energy: 0.5113177902706927 Energy: 0.517800204061901 Energy: 0.5278183086642434 Energy: 0.5165342394768542 Energy: 0.5278183086666594 Energy: 0.5140034583204499 Energy: 0.52781830866804 Energy: 0.516534239474093 Energy: 0.4774918481306707 Energy: 0.4795102589712307 Energy: 0.47749184813308676 Energy: 0.4795102589619118 Energy: 0.4774918481344673 Energy: 0.47951025895707977 Energy: 0.5174071896683983 Energy: 0.5034026692120509 Energy: 0.5174071896697788 Energy: 0.5034026692099801 Energy: 0.5174071896680531 Energy: 0.5034026692130864 Energy: 0.4803239697762188 Energy: 0.6128690474926887 Energy: 0.4803236510537531 Energy: 0.6128690474916533 Energy: 0.4803239697758736 Energy: 0.6128690474878568 Energy: 0.5372741880481845 Energy: 0.4731581908804026 Energy: 0.537274188048875 Energy: 0.4731581908776415 Energy: 0.5372741880474943 Energy: 0.47315819087902206 Energy: 0.503356625143297 Energy: 0.5444030168680183 Energy: 0.5033570860588292 Energy: 0.5444030168666377 Energy: 0.5033566251426067 Energy: 0.5444030168693988 Energy: 0.49946157515426925 Energy: 0.5157071351491223 Energy: 0.49946157515426925 Energy: 0.515707135146016 Energy: 0.49946157515185324 Energy: 0.5157071351487771 Energy: 0.5169867625687579 Energy: 0.5268450274958776 Energy: 0.516986762569103 Energy: 0.5268450274965678 Energy: 0.5169867625687579 Energy: 0.5268450274972583 Energy: 0.560039857804192 Energy: 0.5026008624519909 Energy: 0.560039857804537 Energy: 0.5026008624509555 Energy: 0.5600398578055724 Energy: 0.5026008624519909 Energy: 0.5177176120789978 Energy: 0.4724239260896588 Energy: 0.5177176120800332 Energy: 0.47242392609103934 Energy: 0.517717612079688 Energy: 0.4724239260969068 Energy: 0.5902735365136097 Energy: 0.5206981095480236 Energy: 0.5902735365149904 Energy: 0.5206981095518203 Energy: 0.5902735365146452 Energy: 0.5206981095494042 Energy: 0.5323432693840072 Energy: 0.5080205169339413 Energy: 0.5323432693878039 Energy: 0.5083728700188936 Energy: 0.532343269385733 Energy: 0.5080205169394635 Energy: 0.5171375041120233 Energy: 0.5199702927906902 Energy: 0.5171375041140941 Energy: 0.5119733800266891 Energy: 0.5171375041189261 Energy: 0.519970292792416 Energy: 0.5358713234073746 Energy: 0.5139297581277308 Energy: 0.5358713234066843 Energy: 0.5333013584038293 Energy: 0.5358713234035779 Energy: 0.5139297581284211 Energy: 0.4708608627229401 Energy: 0.5229041072999404 Energy: 0.4708608627277721 Energy: 0.522904107233359 Energy: 0.47086086272708183 Energy: 0.522904107172645 Energy: 0.573281101659712 Energy: 0.5174694309335414 Energy: 0.5732811016617829 Energy: 0.5174694309297448 Energy: 0.5732811016607475 Energy: 0.5174694309293996 Energy: 0.47123920599837793 Energy: 0.5050015726292698 Energy: 0.47123763893769144 Energy: 0.5050015726303053 Energy: 0.4712392059963071 Energy: 0.5050015726303053 Energy: 0.48164955408206056 Energy: 0.5327292906589692 Energy: 0.4816495540789542 Energy: 0.5327292906613853 Energy: 0.4816495540803348 Energy: 0.5327292906617305 Energy: 0.5180241334207931 Energy: 0.5095488219211873 Energy: 0.5180027434098786 Energy: 0.5095488219208422 Energy: 0.5180241334201028 Energy: 0.5095488219236034 Energy: 0.48667160152367267 Energy: 0.5826408195650417 Energy: 0.46011157169049066 Energy: 0.5826408195643513 Energy: 0.48667160155024874 Energy: 0.5826408195650417 Energy: 0.4862518769831639 Energy: 0.5080431594107785 Energy: 0.5055503249095932 Energy: 0.5080431594138849 Energy: 0.4862518769089893 Energy: 0.5080431594114688 Energy: 0.507459644799555 Energy: 0.5294070035712541 Energy: 0.5074596448026613 Energy: 0.5294070035688381 Energy: 0.5074596448026613 Energy: 0.5294070035702186 Energy: 0.590436906056095 Energy: 0.5016847476210795 Energy: 0.5904369060554047 Energy: 0.5016847476193538 Energy: 0.5904369060557498 Energy: 0.501684747617283 Energy: 0.4714796184664895 Energy: 0.5155056623586634 Energy: 0.47147961846890546 Energy: 0.5155056623621148 Energy: 0.47147961847129005 Energy: 0.5155056623610794 Energy: 0.5330822163950721 Energy: 0.50326222422528 Energy: 0.5330822164533702 Energy: 0.5033043249614109 Energy: 0.5330822163188268 Energy: 0.5032622242256252 Energy: 0.5173537934169572 Energy: 0.5070429297826975 Energy: 0.5173537934166121 Energy: 0.49794308562741824 Energy: 0.5173537934169572 Energy: 0.5070429297861488 Energy: 0.5264442491448109 Energy: 0.5333248873996448 Energy: 0.5264442491441207 Energy: 0.5139747074160423 Energy: 0.5264442491451561 Energy: 0.533324887397574 Energy: 0.5023854858881591 Energy: 0.5473398117939571 Energy: 0.5023854858864334 Energy: 0.5473398117956827 Energy: 0.5023854858867786 Energy: 0.5473398117936119 Energy: 0.4715068102833497 Energy: 0.5176961017601559 Energy: 0.47150681027748226 Energy: 0.5176961017553239 Energy: 0.4715068102805886 Energy: 0.5176961017563593 Energy: 0.5525465532523753 Energy: 0.590504669260868 Energy: 0.5525465532509947 Energy: 0.5905046692581067 Energy: 0.552546553247198 Energy: 0.5905046692591422 Energy: 0.5076721552677896 Energy: 0.5327099973695449 Energy: 0.5076235920422701 Energy: 0.5327099973709255 Energy: 0.5076721552646833 Energy: 0.5327099973702352 Energy: 0.5190420975728334 Energy: 0.5116819606047119 Energy: 0.5190420975766299 Energy: 0.5116819606029862 Energy: 0.5190420975762847 Energy: 0.5116819606033315 Energy: 0.5169005350198241 Energy: 0.526653062542362 Energy: 0.5169005350174082 Energy: 0.5266530625389105 Energy: 0.5169005350153373 Energy: 0.5266530625396008 Energy: 0.4767394665265822 Energy: 0.4755719571391399 Energy: 0.4767394658535202 Energy: 0.47557195714224626 Energy: 0.47673946541986245 Energy: 0.47557195714500733 Energy: 0.5033304987589118 Energy: 0.5163993693650695 Energy: 0.5033304987596021 Energy: 0.5163993693636889 Energy: 0.5033304987592571 Energy: 0.5163993693643791 minimum gb energy = 0.46011157169049066 eV minimum distance = 2.65465736633358 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 0.542484858876802 Energy: 0.5536475911911398 Energy: 0.542484858876802 Energy: 0.5536475911911398 Energy: 0.542484858876802 Energy: 0.5536475911911398 Energy: 0.587500443287381 Energy: 0.4933461423471171 Energy: 0.587500443287381 Energy: 0.4933461423471171 Energy: 0.587500443287381 Energy: 0.4933461423471171 Energy: 0.48513030698404125 Energy: 0.5441711014920102 Energy: 0.48513030698404125 Energy: 0.5441711014960087 Energy: 0.48513030698324155 Energy: 0.5441711014920102 Energy: 0.5136499311473302 Energy: 0.47303714683134895 Energy: 0.5136499311481298 Energy: 0.47303714683134895 Energy: 0.5136499311473302 Energy: 0.47303714683134895 Energy: 0.5518355669797588 Energy: 0.5244242124864361 Energy: 0.5518355669797588 Energy: 0.5244242124864361 Energy: 0.5518355669797588 Energy: 0.5244242124864361 Energy: 0.5662327517310571 Energy: 0.524379922153572 Energy: 0.5662327517310571 Energy: 0.524379922153572 Energy: 0.5662327517310571 Energy: 0.5243799221527723 Energy: 0.5375149095539606 Energy: 0.5267297013315801 Energy: 0.537514909553161 Energy: 0.5267297013315801 Energy: 0.537514909553161 Energy: 0.5267297013315801 Energy: 0.48450131408454383 Energy: 0.5249295501521369 Energy: 0.48450131408454383 Energy: 0.5249295501521369 Energy: 0.4845013140837441 Energy: 0.5249295501521369 Energy: 0.6013756475063629 Energy: 0.46730366525095 Energy: 0.6013756475071625 Energy: 0.46730366525095 Energy: 0.6013756475063629 Energy: 0.4673036652501504 Energy: 0.49303344546862626 Energy: 0.614683825688829 Energy: 0.49303344546862626 Energy: 0.614683825688829 Energy: 0.4930334454678266 Energy: 0.614683825688829 Energy: 0.6078374648399146 Energy: 0.47593593568697057 Energy: 0.6078374648407143 Energy: 0.47593593568697057 Energy: 0.6078374648399146 Energy: 0.47593593568697057 Energy: 0.553128747194668 Energy: 0.5549365491495095 Energy: 0.5531287471954677 Energy: 0.5549365491495095 Energy: 0.553128747194668 Energy: 0.5549365491495095 Energy: 0.6181567655478634 Energy: 0.49480606342352507 Energy: 0.6181567655478634 Energy: 0.4948060634243247 Energy: 0.6181567655478634 Energy: 0.4948060634243247 Energy: 0.48611813178881125 Energy: 0.5196697204710887 Energy: 0.48611813178881125 Energy: 0.5196697204694892 Energy: 0.48611813178881125 Energy: 0.5196697204710887 Energy: 0.5210344824736372 Energy: 0.5403590249690764 Energy: 0.5210344824736372 Energy: 0.5403590249690764 Energy: 0.5210344824736372 Energy: 0.5403590249690764 Energy: 0.5710464627838269 Energy: 0.5242234085063395 Energy: 0.5710464627838269 Energy: 0.5242234085063395 Energy: 0.5710464627838269 Energy: 0.5242234085063395 Energy: 0.5331947651232452 Energy: 0.6087933718375634 Energy: 0.5331947651232452 Energy: 0.6087933718367637 Energy: 0.5331947651224453 Energy: 0.6087933718375634 Energy: 0.5036618554785532 Energy: 0.5240675719227613 Energy: 0.5036618554785532 Energy: 0.5240675719227613 Energy: 0.5036618554785532 Energy: 0.524067571923561 minimum gb energy = 0.4673036652501504 eV minimum distance = 2.58247348098029 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 0.46315184461318293 Energy: 0.4253610271233406 Energy: 0.4631518446127085 Energy: 0.4253610271228663 Energy: 0.4631518446141316 Energy: 0.4253610271228663 Energy: 0.5582117196539764 Energy: 0.5582698888204757 Energy: 0.558211719653502 Energy: 0.5582698888209499 Energy: 0.5582117196530276 Energy: 0.5582698888204757 Energy: 0.39863070789808397 Energy: 0.5685764787917692 Energy: 0.39863070789855837 Energy: 0.5685764787927178 Energy: 0.39863070789808397 Energy: 0.5685764787931922 Energy: 0.5109635879148907 Energy: 0.3986152814873792 Energy: 0.5109635879153651 Energy: 0.3986152814878535 Energy: 0.5109635879153651 Energy: 0.3986152814878535 Energy: 0.43042246095342884 Energy: 0.4980167056336587 Energy: 0.4304224609520058 Energy: 0.4980167056331843 Energy: 0.4304224609515314 Energy: 0.4980167056336587 Energy: 0.43018158430106185 Energy: 0.4997992143938553 Energy: 0.43018158430106185 Energy: 0.4997992143943296 Energy: 0.43018158430106185 Energy: 0.4997992143943296 Energy: 0.5110594688725636 Energy: 0.39860491316750124 Energy: 0.511059468873038 Energy: 0.39860491316750124 Energy: 0.5110594688725636 Energy: 0.39860491316750124 Energy: 0.3986332291950488 Energy: 0.5686047691145152 Energy: 0.3986332291950488 Energy: 0.5686047691145152 Energy: 0.3986332291950488 Energy: 0.5686047691140409 Energy: 0.5582680163306011 Energy: 0.5583139489331268 Energy: 0.5582680163310754 Energy: 0.5583139489331268 Energy: 0.5582680163315497 Energy: 0.5583139489336013 Energy: 0.4631518446127085 Energy: 0.4253610271228663 Energy: 0.46315184461318293 Energy: 0.4253610271233406 Energy: 0.4631518446127085 Energy: 0.4253610271228663 Energy: 0.558211719653502 Energy: 0.5582698888204757 Energy: 0.558211719653502 Energy: 0.5582698888209499 Energy: 0.5582117196530276 Energy: 0.5582698888214243 Energy: 0.39863070789808397 Energy: 0.5685764787936666 Energy: 0.39863070789808397 Energy: 0.5685764787931922 Energy: 0.39863070789808397 Energy: 0.5685764787936666 Energy: 0.5109635879144164 Energy: 0.3986152814878535 Energy: 0.5109635879144164 Energy: 0.3986152814878535 Energy: 0.510963587913942 Energy: 0.3986152814878535 Energy: 0.43042246095105713 Energy: 0.49801670563270994 Energy: 0.43042246095105713 Energy: 0.4980167056336587 Energy: 0.43042246095248016 Energy: 0.4980167056322356 Energy: 0.43018158430106185 Energy: 0.49979921439480396 Energy: 0.43018158430058756 Energy: 0.49979921439527836 Energy: 0.43018158430011316 Energy: 0.4997992143943296 Energy: 0.5110594688725636 Energy: 0.39860491316750124 Energy: 0.511059468873038 Energy: 0.39860491316750124 Energy: 0.5110594688720892 Energy: 0.39860491316750124 Energy: 0.3986332291950488 Energy: 0.5686047691140409 Energy: 0.3986332291950488 Energy: 0.5686047691140409 Energy: 0.3986332291950488 Energy: 0.5686047691140409 Energy: 0.5582680163306011 Energy: 0.5583139489340756 Energy: 0.5582680163315497 Energy: 0.5583139489336013 Energy: 0.5582680163301268 Energy: 0.5583139489331268 Energy: 0.4631518446127085 Energy: 0.4253610271233406 Energy: 0.4631518446117598 Energy: 0.4253610271233406 Energy: 0.46315184461365727 Energy: 0.4253610271233406 Energy: 0.5582117196525533 Energy: 0.5582698888204757 Energy: 0.558211719653502 Energy: 0.5582698888195269 Energy: 0.558211719653502 Energy: 0.5582698888200013 Energy: 0.39863070789808397 Energy: 0.5685764787950895 Energy: 0.39863070789808397 Energy: 0.5685764787950895 Energy: 0.39863070789808397 Energy: 0.5685764787946153 Energy: 0.5109635879153651 Energy: 0.3986152814878535 Energy: 0.5109635879153651 Energy: 0.3986152814873792 Energy: 0.5109635879153651 Energy: 0.3986152814878535 Energy: 0.43042246095105713 Energy: 0.49801670563270994 Energy: 0.4304224609529545 Energy: 0.4980167056322356 Energy: 0.4304224609515314 Energy: 0.49801670563270994 Energy: 0.43018158430058756 Energy: 0.4997992143943296 Energy: 0.43018158430058756 Energy: 0.4997992143943296 Energy: 0.43018158430058756 Energy: 0.4997992143943296 Energy: 0.5110594688725636 Energy: 0.39860491316750124 Energy: 0.5110594688725636 Energy: 0.39860491316750124 Energy: 0.5110594688725636 Energy: 0.39860491316750124 Energy: 0.3986332291950488 Energy: 0.5686047691145152 Energy: 0.39863322919457433 Energy: 0.5686047691140409 Energy: 0.3986332291950488 Energy: 0.5686047691149896 Energy: 0.5582680163306011 Energy: 0.5583139489340756 Energy: 0.5582680163296523 Energy: 0.55831394893455 Energy: 0.5582680163306011 Energy: 0.5583139489317038 Energy: 0.46315184461365727 Energy: 0.4253610271233406 Energy: 0.46315184461318293 Energy: 0.4253610271233406 Energy: 0.46315184461365727 Energy: 0.4253610271223919 Energy: 0.558211719653502 Energy: 0.5582698888195269 Energy: 0.5582117196539764 Energy: 0.5582698888200013 Energy: 0.5582117196530276 Energy: 0.5582698888200013 Energy: 0.39863070789808397 Energy: 0.568576478796987 Energy: 0.39863070789808397 Energy: 0.5685764787960383 Energy: 0.39863070789855837 Energy: 0.5685764787936666 minimum gb energy = 0.39860491316750124 eV minimum distance = 2.58417618322137 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 0.47320114276265857 Energy: 0.4558343581633838 Energy: 0.4732011427614967 Energy: 0.4558343581633838 Energy: 0.47320114276265857 Energy: 0.4558343581633838 Energy: 0.5317759941536768 Energy: 0.4828284502717574 Energy: 0.531775994150191 Energy: 0.4828284502717574 Energy: 0.5317759941548387 Energy: 0.4828284502717574 Energy: 0.37593115652805487 Energy: 0.5170812406495288 Energy: 0.37593115652805487 Energy: 0.5170812406506906 Energy: 0.37593115652805487 Energy: 0.5170812406506906 Energy: 0.4588059944609099 Energy: 0.3961994304856818 Energy: 0.4588059944609099 Energy: 0.3961994304856818 Energy: 0.4588059944609099 Energy: 0.3961994304856818 Energy: 0.4947761946984433 Energy: 0.4211763924891683 Energy: 0.4947761946972814 Energy: 0.4211763924891683 Energy: 0.4947761946984433 Energy: 0.4211763924891683 Energy: 0.4668860773530897 Energy: 0.5171467572454187 Energy: 0.4668860773519277 Energy: 0.5171467572442567 Energy: 0.46688607735076587 Energy: 0.5171467572419329 Energy: 0.4093069088618077 Energy: 0.4545741792909824 Energy: 0.4093069088618077 Energy: 0.4545741792898205 Energy: 0.4093069088618077 Energy: 0.4545741792898205 Energy: 0.4577109693405567 Energy: 0.4306739394583187 Energy: 0.4577109693405567 Energy: 0.4306739394583187 Energy: 0.4577109693405567 Energy: 0.43067393945715676 Energy: 0.47869964232000956 Energy: 0.43866798115141153 Energy: 0.4786996423223334 Energy: 0.4386679811490876 Energy: 0.4786996423234954 Energy: 0.4386679811502496 Energy: 0.45889625640034304 Energy: 0.5083198760170881 Energy: 0.45889625640034304 Energy: 0.5083198760182499 Energy: 0.4588962563991811 Energy: 0.5083198760182499 Energy: 0.4404511122962084 Energy: 0.3959366939738148 Energy: 0.44045111229504647 Energy: 0.3959366939738148 Energy: 0.4404511122962084 Energy: 0.3959366939738148 Energy: 0.4928594438040398 Energy: 0.4778398667300399 Energy: 0.4928594438040398 Energy: 0.4778398658914979 Energy: 0.4928594438040398 Energy: 0.477839864282941 minimum gb energy = 0.37593115652805487 eV minimum distance = 2.57503828142862 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 0.4201623964549787 Energy: 0.402944147259 Energy: 0.42016239645595815 Energy: 0.40294414725834704 Energy: 0.42016239645530523 Energy: 0.4029441472563883 Energy: 0.5710960063693847 Energy: 0.36829886266521566 Energy: 0.5710960063697113 Energy: 0.3682988626648891 Energy: 0.571096006367426 Energy: 0.36829886266521566 Energy: 0.3676573318710968 Energy: 0.5780406439112791 Energy: 0.36765733187011734 Energy: 0.578040643911932 Energy: 0.36765733187011734 Energy: 0.5780406439096466 Energy: 0.40589144176775377 Energy: 0.3841214225266314 Energy: 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0.4047742203412114 Energy: 0.48946621808165025 Energy: 0.40477422034186433 Energy: 0.48946621808360913 Energy: 0.40641968398516315 Energy: 0.39174007587673615 Energy: 0.40641968398679545 Energy: 0.39174007587673615 Energy: 0.406419683985816 Energy: 0.39174007587673615 Energy: 0.361525152611182 Energy: 0.4071164270800163 Energy: 0.361525152611182 Energy: 0.4071164270871987 Energy: 0.3615251526102026 Energy: 0.4071164270741398 Energy: 0.41674480253565727 Energy: 0.38272431902378723 Energy: 0.41674480253369844 Energy: 0.3827243190241137 Energy: 0.4167448025346778 Energy: 0.38272431902509313 Energy: 0.42085978867533996 Energy: 0.4020174885783764 Energy: 0.42085978867729884 Energy: 0.4020174885793558 Energy: 0.4208597886766459 Energy: 0.40201748857739694 Energy: 0.3856729674510283 Energy: 0.4165504170707235 Energy: 0.3856729674510283 Energy: 0.4165504170707235 Energy: 0.3856729674510283 Energy: 0.4165504170710499 Energy: 0.37424219265875336 Energy: 0.40344928651712614 Energy: 0.3742421926577739 Energy: 0.4034492865207173 Energy: 0.3742421926616916 Energy: 0.403449286519085 Energy: 0.4711751453440382 Energy: 0.48825079353130807 Energy: 0.4711751453437118 Energy: 0.4882507935329405 Energy: 0.4711751453440382 Energy: 0.4882507935345728 Energy: 0.39326902559608157 Energy: 0.3872877003756129 Energy: 0.39326902559510213 Energy: 0.3872877003756129 Energy: 0.39326902559542865 Energy: 0.3872877003765923 Energy: 0.3674729098030422 Energy: 0.5308462478401239 Energy: 0.36747290980271574 Energy: 0.5308462478404504 Energy: 0.3674729098030422 Energy: 0.5308462478401239 Energy: 0.47105353855114157 Energy: 0.3717286693192457 Energy: 0.4710535385488859 Energy: 0.3717286693179398 Energy: 0.47105353855081505 Energy: 0.3840221801761869 Energy: 0.36738531588599443 Energy: 0.5311636932112297 Energy: 0.36738531588632095 Energy: 0.5311636932105768 Energy: 0.3673853158869739 Energy: 0.5311636932105768 Energy: 0.3932470308779524 Energy: 0.3874863764735203 Energy: 0.3932470308789318 Energy: 0.3874863764738467 Energy: 0.39324703087827884 Energy: 0.3874863764741733 Energy: 0.4711708911556575 Energy: 0.48811813702378587 Energy: 0.4711708911556575 Energy: 0.4881181370260712 Energy: 0.4711708911553311 Energy: 0.4881181370241124 Energy: 0.37429976620726846 Energy: 0.40363714758977115 Energy: 0.37429976621085975 Energy: 0.40363714759009767 Energy: 0.3742997662098803 Energy: 0.40363714759173 Energy: 0.3857655476918586 Energy: 0.4164534857836218 Energy: 0.3857655476921851 Energy: 0.41645348578460123 Energy: 0.3857655476918586 Energy: 0.41645348578394825 Energy: 0.42085986448245694 Energy: 0.4017866187054026 Energy: 0.42085986448115104 Energy: 0.40178661870474963 Energy: 0.4208598644798452 Energy: 0.4017866187044529 Energy: 0.4167575762025008 Energy: 0.38244078186231356 Energy: 0.4167575762038067 Energy: 0.3824407818636194 Energy: 0.4167575762038067 Energy: 0.3824407818616903 Energy: 0.36151825640059904 Energy: 0.40701805020277587 Energy: 0.3615182563992932 Energy: 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Energy: 0.40965135525684604 Energy: 0.4631803282925528 Energy: 0.3983352474007613 Energy: 0.3827587726239911 Energy: 0.3983352474014143 Energy: 0.3827587726246441 Energy: 0.39833524740174076 Energy: 0.3827587726262765 Energy: 0.4055849833357023 Energy: 0.3840037548416802 Energy: 0.40558498333700826 Energy: 0.3840037548420067 Energy: 0.40558498333733467 Energy: 0.3840037548420067 Energy: 0.3677882813236304 Energy: 0.5782016139078693 Energy: 0.3677882813233039 Energy: 0.5782016139078693 Energy: 0.36778828132460983 Energy: 0.5782016139081958 Energy: 0.5711054030585161 Energy: 0.38698473712153847 Energy: 0.5711054030578632 Energy: 0.3869847371208855 Energy: 0.5711054030588426 Energy: 0.38698473712055903 Energy: 0.42016239645661113 Energy: 0.4029441472576942 Energy: 0.42016239645759057 Energy: 0.40294414725834704 Energy: 0.42016239645791703 Energy: 0.4029441472599497 Energy: 0.5710960063693847 Energy: 0.36829886266684797 Energy: 0.5710960063697113 Energy: 0.36829886266684797 Energy: 0.571096006367426 Energy: 0.3682988626671745 Energy: 0.36765733187077027 Energy: 0.5780406439122585 Energy: 0.3676573318704438 Energy: 0.5780406439112791 Energy: 0.3676573318704438 Energy: 0.5780406439109526 Energy: 0.40589144176808023 Energy: 0.3841214225253255 Energy: 0.40589144176808023 Energy: 0.3841214225253255 Energy: 0.4058914417687332 Energy: 0.3841214225253255 Energy: 0.3984177318522885 Energy: 0.3830210234127325 Energy: 0.3984177318509826 Energy: 0.3830210234130589 Energy: 0.39841773185032964 Energy: 0.3830210234124059 minimum gb energy = 0.3615182563992932 eV minimum distance = 2.64484143234547 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 0.14317921712740997 Energy: 0.14867097462381237 Energy: 0.14317921712740997 Energy: 0.14867097462455559 Energy: 0.14317921712740997 Energy: 0.14867097462455559 Energy: 0.24264611087654198 Energy: 0.23143254844762726 Energy: 0.2426461108757988 Energy: 0.23143254844762726 Energy: 0.2426461108757988 Energy: 0.2314325484483704 Energy: 0.1846808632449932 Energy: 0.21309218276808653 Energy: 0.18468086324425004 Energy: 0.21309218276808653 Energy: 0.1846808632449932 Energy: 0.21309218276808653 Energy: 0.14994389689656576 Energy: 0.14333925725159632 Energy: 0.14994389689656576 Energy: 0.14333925725010999 Energy: 0.14994389690102478 Energy: 0.14333925725308264 Energy: 0.24189413576087065 Energy: 0.24143698163194574 Energy: 0.2418941357616138 Energy: 0.24143698163194574 Energy: 0.24189413576087065 Energy: 0.24143698163194574 Energy: 0.14523508624422882 Energy: 0.1845728930447714 Energy: 0.14523508624794468 Energy: 0.1845728930447714 Energy: 0.14523508624571516 Energy: 0.1845728930447714 Energy: 0.14451200447261822 Energy: 0.18458990968136912 Energy: 0.14451200447261822 Energy: 0.18458990968136912 Energy: 0.14451200447261822 Energy: 0.18458990968062597 Energy: 0.2420168499416838 Energy: 0.2414811660355416 Energy: 0.24201684994019745 Energy: 0.2414811660355416 Energy: 0.2420168499409406 Energy: 0.2414811660355416 Energy: 0.14992616646729737 Energy: 0.1433486674348207 Energy: 0.14992616646584483 Energy: 0.14334866743705021 Energy: 0.14992616646510162 Energy: 0.14334866743407754 Energy: 0.18476920356500418 Energy: 0.21311972516349084 Energy: 0.18476920356500418 Energy: 0.21311972516349084 Energy: 0.184769203564261 Energy: 0.21311972516349084 Energy: 0.24261132579502379 Energy: 0.23146910138121227 Energy: 0.24261132579576694 Energy: 0.23146910138121227 Energy: 0.24261132579502379 Energy: 0.2314691013804691 Energy: 0.14317921712740997 Energy: 0.14867097462381237 Energy: 0.14317921712740997 Energy: 0.14867097462381237 Energy: 0.14317921712740997 Energy: 0.14867097462455559 Energy: 0.2426461108757988 Energy: 0.23143254844762726 Energy: 0.24264611087654198 Energy: 0.23143254844762726 Energy: 0.2426461108757988 Energy: 0.2314325484483704 Energy: 0.18468086324425004 Energy: 0.21309218276808653 Energy: 0.18468086324425004 Energy: 0.21309218276808653 Energy: 0.18468086324425004 Energy: 0.21309218276808653 Energy: 0.14994389689507942 Energy: 0.14333925725010999 Energy: 0.14994389689730891 Energy: 0.14333925725085314 Energy: 0.14994389689879528 Energy: 0.14333925725010999 Energy: 0.24189413576087065 Energy: 0.24143698163194574 Energy: 0.24189413576087065 Energy: 0.24143698163194574 Energy: 0.24189413576087065 Energy: 0.24143698163194574 Energy: 0.14523508624348566 Energy: 0.1845728930447714 Energy: 0.14523508624571516 Energy: 0.1845728930447714 Energy: 0.14523508624422882 Energy: 0.1845728930447714 Energy: 0.1445120044733614 Energy: 0.18458990968062597 Energy: 0.14451200447261822 Energy: 0.18458990968136912 Energy: 0.14451200447261822 Energy: 0.18458990968062597 Energy: 0.24201684994019745 Energy: 0.2414811660355416 Energy: 0.24201684993945424 Energy: 0.2414811660355416 Energy: 0.2420168499409406 Energy: 0.24148116603628475 minimum gb energy = 0.14317921712740997 eV minimum distance = 2.76262002728434 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 0.3711763581076794 Energy: 0.3825412033171254 Energy: 0.3711763581082238 Energy: 0.3825412033171254 Energy: 0.3711763581093126 Energy: 0.3825412033176697 Energy: 0.4293008396744299 Energy: 0.3549529797688912 Energy: 0.4293008396744299 Energy: 0.35495297976834683 Energy: 0.42930083967551874 Energy: 0.3549529797688912 Energy: 0.4057050102049546 Energy: 0.5412884780828519 Energy: 0.405705010202777 Energy: 0.5412884780828519 Energy: 0.4057050102038658 Energy: 0.5412884780828519 Energy: 0.41967551494679434 Energy: 0.33744111586449493 Energy: 0.4196755149473388 Energy: 0.33744111586449493 Energy: 0.4196755149457056 Energy: 0.33744111586449493 Energy: 0.369049314176207 Energy: 0.3152677667722307 Energy: 0.369049314176207 Energy: 0.3152677667722307 Energy: 0.3690493141767514 Energy: 0.3152677667722307 Energy: 0.3896895894564604 Energy: 0.3974617685505091 Energy: 0.3896895894553717 Energy: 0.3974617685505091 Energy: 0.3896895894553717 Energy: 0.3974617685499648 Energy: 0.32098442442671815 Energy: 0.46379060701228547 Energy: 0.320984424425085 Energy: 0.46379060701228547 Energy: 0.32098442442671815 Energy: 0.46379060701228547 Energy: 0.3894164158317584 Energy: 0.2974894639813045 Energy: 0.38941641583121406 Energy: 0.2974894639818489 Energy: 0.38941641583066966 Energy: 0.2974894639813045 Energy: 0.38817948763493226 Energy: 0.2951987734985879 Energy: 0.38817948763547666 Energy: 0.2951987734980436 Energy: 0.38817948763384347 Energy: 0.2951987734980436 Energy: 0.3130181638037009 Energy: 0.4679180202036429 Energy: 0.3130181638042453 Energy: 0.4679180202025541 Energy: 0.31301816380315656 Energy: 0.4679180202030985 Energy: 0.5015777298457662 Energy: 0.46105377945377113 Energy: 0.5015777298452218 Energy: 0.46105377945377113 Energy: 0.5015777298457662 Energy: 0.46105377945377113 Energy: 0.3563575873519787 Energy: 0.31227711008533715 Energy: 0.3563575873519787 Energy: 0.31227711008533715 Energy: 0.3563575873525231 Energy: 0.31227711008533715 Energy: 0.39804617558204236 Energy: 0.3389856818997669 Energy: 0.39804617558204236 Energy: 0.3389856818997669 Energy: 0.39804617558095357 Energy: 0.3389856818997669 Energy: 0.41270986983341984 Energy: 0.5237342522540204 Energy: 0.4127098698328755 Energy: 0.5237342522540204 Energy: 0.41270986983178676 Energy: 0.5237342522540204 Energy: 0.49114238801659016 Energy: 0.35677187673935473 Energy: 0.49114238801659016 Energy: 0.35677187673935473 Energy: 0.49114238801495697 Energy: 0.35677187673989924 Energy: 0.37133070634778914 Energy: 0.3831819040103515 Energy: 0.37133070634778914 Energy: 0.3831819040103515 Energy: 0.37133070634778914 Energy: 0.38318190401144026 Energy: 0.34342408401569363 Energy: 0.3533241845743029 Energy: 0.34342408401678237 Energy: 0.3533241845748474 Energy: 0.34342408401678237 Energy: 0.3533241845743029 Energy: 0.46469126318185827 Energy: 0.5337950353687965 Energy: 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0.3883565012132783 Energy: 0.3393979810223984 Energy: 0.38835650121382265 Energy: 0.3393979810229427 Energy: 0.3106443951782917 Energy: 0.4660630557234476 Energy: 0.3106443951788361 Energy: 0.4660630557234476 Energy: 0.3106443951782917 Energy: 0.46606305572127 Energy: 0.5572920291921968 Energy: 0.46252978709613796 Energy: 0.5572920291927411 Energy: 0.46252978709613796 Energy: 0.5572920291916523 Energy: 0.46252978709613796 minimum gb energy = 0.2951987734980436 eV minimum distance = 2.64472750276549 Angstroms sigma value = 41 ======================================== theta = 58.99241699313286 ======================================== Energy: 0.4203842760612281 Energy: 0.3478101791468142 Energy: 0.4203842760616572 Energy: 0.3478101791468142 Energy: 0.4203842760612281 Energy: 0.3478101791472434 Energy: 0.4382026722365151 Energy: 0.41233607090436697 Energy: 0.43820267223694415 Energy: 0.41233607090436697 Energy: 0.43820267223694415 Energy: 0.41233607090436697 Energy: 0.49835699818637885 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0.3454097187600622 Energy: 0.3382145199936611 Energy: 0.34540971875963317 Energy: 0.33821451999323204 Energy: 0.35493595605461115 Energy: 0.4613853213914932 Energy: 0.35493595605461115 Energy: 0.41910623527849356 Energy: 0.35493595605461115 Energy: 0.41910623527849356 Energy: 0.39123103796810416 Energy: 0.4214287740262096 Energy: 0.3912310379676751 Energy: 0.42142877402706774 Energy: 0.39123103796853326 Energy: 0.4214287740266387 Energy: 0.5216736516808496 Energy: 0.4482191091311889 Energy: 0.5216736516812787 Energy: 0.44821910913033075 Energy: 0.5216736516812787 Energy: 0.4482191091299017 Energy: 0.31742544107840687 Energy: 0.3891475981859414 Energy: 0.31742544107883586 Energy: 0.3891475981859414 Energy: 0.31742544107840687 Energy: 0.3891475981859414 Energy: 0.3398078539931744 Energy: 0.3406337615700599 Energy: 0.3398078539923162 Energy: 0.3406337615700599 Energy: 0.3398078539927453 Energy: 0.3406337615700599 Energy: 0.3166948125938415 Energy: 0.4053183142464236 Energy: 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Energy: 0.4153637509885506 Energy: 0.3410895878286936 Energy: 0.4153637509888518 minimum gb energy = 0.33387117906474767 eV minimum distance = 2.65559027218478 Angstroms sigma value = 67 ======================================== theta = 70.52877936550931 ======================================== Energy: 0.36353069651972475 Energy: 0.34786418242380723 Energy: 0.36353069651972475 Energy: 0.347864182424013 Energy: 0.36353069651993064 Energy: 0.347864182424013 Energy: 0.3472238597229728 Energy: 0.34163780758888185 Energy: 0.3472238597229728 Energy: 0.34163780758908774 Energy: 0.3472238597229728 Energy: 0.34163780758888185 Energy: 0.48729565995095064 Energy: 0.4889933949616178 Energy: 0.4872956599507448 Energy: 0.4889933949618236 Energy: 0.4872956599507448 Energy: 0.48899339496200656 Energy: 0.3470978180360953 Energy: 0.34163576972958276 Energy: 0.34709781803630113 Energy: 0.3416357697297657 Energy: 0.3470978180360953 Energy: 0.34163576972958276 Energy: 0.3635306965187185 Energy: 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0.4126177810040276 Energy: 0.4380284118679736 Energy: 0.4368902219466976 Energy: 0.4380284118679736 Energy: 0.43689022194623583 Energy: 0.43802841186843533 Energy: 0.4368902219466976 Energy: 0.46813595767084765 Energy: 0.4140793944446528 Energy: 0.4681359576713094 Energy: 0.41407939444419106 Energy: 0.46813595767084765 Energy: 0.4140793944446528 Energy: 0.46517337605892445 Energy: 0.43688025195763425 Energy: 0.46517337605753933 Energy: 0.43688025195717256 Energy: 0.46517337605892445 Energy: 0.43688025195717256 Energy: 0.3773687236423643 Energy: 0.44200659413234067 Energy: 0.3773687236423643 Energy: 0.4420065941318789 Energy: 0.3773687236423643 Energy: 0.44200659413234067 Energy: 0.43899593833669565 Energy: 0.48604525450706504 Energy: 0.43899593833623396 Energy: 0.4860452545075268 Energy: 0.43899593833577216 Energy: 0.4860452545075268 Energy: 0.3923641189811849 Energy: 0.41707454708850045 Energy: 0.39236411898164664 Energy: 0.41707454708803865 Energy: 0.39236411898164664 Energy: 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0.4177594625498027 minimum gb energy = 0.3771052285038075 eV minimum distance = 2.66821894889957 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 0.4272407941502128 Energy: 0.3717639481613696 Energy: 0.4272407941502128 Energy: 0.3717639481613696 Energy: 0.4272407941508107 Energy: 0.3717639481613696 Energy: 0.3950282685530098 Energy: 0.34338566358130684 Energy: 0.3950282685530098 Energy: 0.3433856635825025 Energy: 0.3950282685530098 Energy: 0.3433856635825025 Energy: 0.45010005929412567 Energy: 0.4501043227926432 Energy: 0.45010005929472346 Energy: 0.4501043227926432 Energy: 0.45010005929412567 Energy: 0.4501043227926432 Energy: 0.3770029380706732 Energy: 0.4041013363505945 Energy: 0.3770029380772491 Energy: 0.4041013363476054 Energy: 0.3770029380736623 Energy: 0.4041013363511922 Energy: 0.44829401036026034 Energy: 0.44511577493580634 Energy: 0.4482940103632494 Energy: 0.44511577493700194 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0.41509837539300865 Energy: 0.39632341206663796 Energy: 0.45079949650773804 Energy: 0.4351958274533788 Energy: 0.4507994965101293 Energy: 0.4351958274539766 Energy: 0.4507994965095315 Energy: 0.43519582745278096 minimum gb energy = 0.3433068844067336 eV minimum distance = 2.64193414514374 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 0.4192043088715543 Energy: 0.3647221463328117 Energy: 0.4192043088715543 Energy: 0.3647221463328117 Energy: 0.41920430887239973 Energy: 0.3647221463328117 Energy: 0.37095205833076356 Energy: 0.4265520681185891 Energy: 0.37095205833076356 Energy: 0.42655206811943447 Energy: 0.37095205832991823 Energy: 0.4265520681185891 Energy: 0.41310856262825774 Energy: 0.40433972229916926 Energy: 0.41310856262825774 Energy: 0.40433972229916926 Energy: 0.4131085626274123 Energy: 0.40433972229916926 Energy: 0.3808588271112725 Energy: 0.49851493508535216 Energy: 0.3808588271112725 Energy: 0.49851493508535216 Energy: 0.3808588271112725 Energy: 0.49851493508450667 Energy: 0.4248730451395572 Energy: 0.3799782383531535 Energy: 0.4248730451395572 Energy: 0.3799782383531535 Energy: 0.4248730451387117 Energy: 0.3799782383531535 Energy: 0.45388401514006943 Energy: 0.40628774522013933 Energy: 0.45388401514006943 Energy: 0.40628774522013933 Energy: 0.45388401514006943 Energy: 0.4062877452192939 Energy: 0.40978237595465045 Energy: 0.4397577520199667 Energy: 0.40978237595465045 Energy: 0.4397577520199667 Energy: 0.4097823759554958 Energy: 0.4397577520199667 Energy: 0.38087392133193576 Energy: 0.42331823440320077 Energy: 0.38087392133109027 Energy: 0.42331823440150984 Energy: 0.38087392133193576 Energy: 0.42331823440150984 Energy: 0.3941312739033367 Energy: 0.4262123930429004 Energy: 0.3941312739033367 Energy: 0.4262123930437458 Energy: 0.3941312739033367 Energy: 0.4262123930429004 Energy: 0.4584015723708046 Energy: 0.43358090789931847 Energy: 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Energy: 0.3610259492416918 Energy: 0.36725975255541476 Energy: 0.36102594924136533 Energy: 0.36725975255574117 Energy: 0.3610259492410388 Energy: 0.38288389038270776 Energy: 0.3918777914775296 Energy: 0.3828834651540909 Energy: 0.3918777914758973 Energy: 0.3828851998706745 Energy: 0.3918777914778561 Energy: 0.365187434938487 Energy: 0.336059589608526 Energy: 0.365187434938487 Energy: 0.3360595896088525 Energy: 0.36518743493881345 Energy: 0.3360595896081996 Energy: 0.3529293654427558 Energy: 0.40948094974095994 Energy: 0.3529293654574471 Energy: 0.40948094974095994 Energy: 0.3529293654489588 Energy: 0.4094809497406335 Energy: 0.39891224377910034 Energy: 0.41813454929457605 Energy: 0.3989122437800798 Energy: 0.4181345492984938 Energy: 0.3989122437787739 Energy: 0.41813454929457605 Energy: 0.4376609346679881 Energy: 0.3674111268969829 Energy: 0.4376609346663558 Energy: 0.36741112689665634 Energy: 0.4376609346676617 Energy: 0.36741112689600347 Energy: 0.35354190750940473 Energy: 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Energy: 0.3427972088682922 Energy: 0.36956336969953013 Energy: 0.34279720887095005 Energy: 0.36956336970059334 Energy: 0.34279720886669746 Energy: 0.36956336969953013 Energy: 0.386463112145224 Energy: 0.3536348157272718 Energy: 0.386463112145224 Energy: 0.35363481572833494 Energy: 0.38646311214469237 Energy: 0.35363481572833494 Energy: 0.3526641657558219 Energy: 0.37177165699871645 Energy: 0.3526641657542272 Energy: 0.371771656999248 Energy: 0.3526641657547588 Energy: 0.3717716569981848 Energy: 0.43259440762087303 Energy: 0.34496836811771464 Energy: 0.4325944076251256 Energy: 0.34496836811771464 Energy: 0.43259440762140455 Energy: 0.34496836811771464 Energy: 0.35619720292464774 Energy: 0.32292746134671296 Energy: 0.35619720292571094 Energy: 0.32292746134618144 Energy: 0.35619720292464774 Energy: 0.3229274613472446 Energy: 0.35607579285564966 Energy: 0.3902932610143461 Energy: 0.35607579285564966 Energy: 0.39029326101381456 Energy: 0.35607579285511815 Energy: 0.39029326101381456 Energy: 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Energy: 0.3107694849659343 Energy: 0.323054368014909 Energy: 0.3107694849678708 Energy: 0.3230543680152963 Energy: 0.31076948496283585 Energy: 0.3230543680152963 Energy: 0.31764133574479797 Energy: 0.3675233309522094 Energy: 0.3176413357451853 Energy: 0.36752333095298406 Energy: 0.3176413357451853 Energy: 0.3675233309522094 Energy: 0.3146179054075094 Energy: 0.32973378904468387 Energy: 0.31461790540712203 Energy: 0.32973378904429657 Energy: 0.3146179054078967 Energy: 0.3297337890458458 Energy: 0.32046209848070834 Energy: 0.34637418712520907 Energy: 0.3204620984826449 Energy: 0.34637418712559637 Energy: 0.3204620984818703 Energy: 0.34637418712559637 Energy: 0.3434873371631184 Energy: 0.40402442739346184 Energy: 0.3434873371631184 Energy: 0.4040244273930745 Energy: 0.34348733716389307 Energy: 0.4040244273930745 Energy: 0.34276442231673 Energy: 0.3954653172634851 Energy: 0.34276442231599064 Energy: 0.3954653172630978 Energy: 0.34276442231673 Energy: 0.39546531726271056 Energy: 0.3543811347232453 Energy: 0.3539067607766547 Energy: 0.35438113472363264 Energy: 0.3539067607778167 Energy: 0.35438113472363264 Energy: 0.35390676077704203 Energy: 0.3428438236608972 Energy: 0.35175730289050355 Energy: 0.34284382366050986 Energy: 0.3517573028893416 Energy: 0.34284382366128446 Energy: 0.3517573028897289 Energy: 0.33444704865776753 Energy: 0.37738475217666145 Energy: 0.33444704865660563 Energy: 0.37738475217704875 Energy: 0.3344470486569929 Energy: 0.37738475217898526 Energy: 0.31367876551050466 Energy: 0.33146245055198986 Energy: 0.31367876551127916 Energy: 0.33146245055160256 Energy: 0.3136787655116665 Energy: 0.33146245055198986 Energy: 0.32580795830335624 Energy: 0.33342815000999404 Energy: 0.3258079583029689 Energy: 0.33342815000960674 Energy: 0.32580795830335624 Energy: 0.33342815000999404 Energy: 0.3142239947184161 Energy: 0.4058924030639313 Energy: 0.3142239947188034 Energy: 0.40589240306428337 Energy: 0.31422399471802875 Energy: 0.4058924030639313 Energy: 0.30031881450226333 Energy: 0.3420303053159443 Energy: 0.30031881450381254 Energy: 0.34203030531633166 Energy: 0.3003188145030379 Energy: 0.34203030531633166 Energy: 0.29357778933970063 Energy: 0.3077560814560273 Energy: 0.29357778933970063 Energy: 0.3077560814564146 Energy: 0.293577789340088 Energy: 0.3077560814564146 Energy: 0.330752797921123 Energy: 0.3874818650485786 Energy: 0.330752797921123 Energy: 0.3874818650489659 Energy: 0.33075279792189766 Energy: 0.3874818650485786 Energy: 0.30760016177499105 Energy: 0.43535938113261224 Energy: 0.3076001617773149 Energy: 0.43535938113261224 Energy: 0.30760016177499105 Energy: 0.43535938113261224 Energy: 0.293790514163785 Energy: 0.29762973325511244 Energy: 0.29379051416417234 Energy: 0.2976297332554997 Energy: 0.2937905141633977 Energy: 0.2976297332554997 Energy: 0.32395146312322676 Energy: 0.296824613372873 Energy: 0.32395146312283946 Energy: 0.2968246133775208 Energy: 0.32395146312283946 Energy: 0.2968246133806192 Energy: 0.3375735147041168 Energy: 0.3847534120294228 Energy: 0.3375735147045041 Energy: 0.38475341202981017 Energy: 0.3375735147048914 Energy: 0.38475341202787366 Energy: 0.29456692617283875 Energy: 0.32322665874335704 Energy: 0.29456692617283875 Energy: 0.32322665874335704 Energy: 0.2945669261724514 Energy: 0.32322665874374434 Energy: 0.302319022129529 Energy: 0.2969265210415728 Energy: 0.3023190221287544 Energy: 0.2969265209923845 Energy: 0.302319022129529 Energy: 0.296926521033052 minimum gb energy = 0.29357778933970063 eV minimum distance = 2.64041035084529 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.06962646339887019 Energy: 0.09089388290898112 Energy: 0.06962646339930681 Energy: 0.09089388290883559 Energy: 0.06962646339958171 Energy: 0.09089388290883559 Energy: 0.3451618320941015 Energy: 0.07102994392561263 Energy: 0.3451618320941015 Energy: 0.07102994392561263 Energy: 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0.3451618320941015 Energy: 0.07102994392561263 Energy: 0.3451825308091375 Energy: 0.07004181035622531 Energy: 0.3451825308092831 Energy: 0.0700418103556593 Energy: 0.3451825308091375 Energy: 0.07004181035666192 Energy: 0.06962646339930681 Energy: 0.09089388290898112 Energy: 0.06962646339901572 Energy: 0.09089388290898112 Energy: 0.06962646339958171 Energy: 0.09089388290883559 minimum gb energy = 0.06962646339887019 eV minimum distance = 2.82483532748848 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 0.38969059771671855 Energy: 0.29961796647340827 Energy: 0.3896905977201253 Energy: 0.29961796647340827 Energy: 0.3896905977201253 Energy: 0.29961796647340827 Energy: 0.27722368193452773 Energy: 0.27323100514255816 Energy: 0.27722368193452773 Energy: 0.27323100514468746 Energy: 0.2772236819341018 Energy: 0.27323100514340987 Energy: 0.35526006627296824 Energy: 0.27319465784685737 Energy: 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Energy: 0.33576425718809055 Energy: 0.3682027950035864 Energy: 0.33576425718809055 Energy: 0.2915898669183397 Energy: 0.34658052903278885 Energy: 0.2915898669183397 Energy: 0.34658052903278885 Energy: 0.2915898669191914 Energy: 0.34658052903278885 Energy: 0.2824527269495164 Energy: 0.30090454569798314 Energy: 0.2824527269495164 Energy: 0.30090454569840897 Energy: 0.2824527269495164 Energy: 0.30090454569798314 Energy: 0.36865866447131035 Energy: 0.34343973127427085 Energy: 0.36865866447131035 Energy: 0.34343973127427085 Energy: 0.36865866447131035 Energy: 0.343439731273845 Energy: 0.3244764315029956 Energy: 0.3381383709523942 Energy: 0.3244764315025697 Energy: 0.3381383709523942 Energy: 0.3244764315034215 Energy: 0.3381383709523942 Energy: 0.31929646873699424 Energy: 0.29060326833102057 Energy: 0.3192964687365684 Energy: 0.2906032683314464 Energy: 0.3192964687365684 Energy: 0.29060326833102057 Energy: 0.26309489954482435 Energy: 0.331695121713122 Energy: 0.2630948995473794 Energy: 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0.34438334801164533 Energy: 0.3757378179978197 Energy: 0.3443833480104317 Energy: 0.37573781799721284 Energy: 0.34438334801164533 minimum gb energy = 0.3191045051429267 eV minimum distance = 2.69017232059305 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 0.4682925753658528 Energy: 0.3636045384762249 Energy: 0.46829257536662267 Energy: 0.3636045384762249 Energy: 0.46829257536623775 Energy: 0.36360453847660984 Energy: 0.40190817028015474 Energy: 0.40619936635396686 Energy: 0.40190817027976977 Energy: 0.40619936635358195 Energy: 0.40190817028015474 Energy: 0.40619936635396686 Energy: 0.4402419989085349 Energy: 0.40674575210081115 Energy: 0.4402419989089198 Energy: 0.40674575210081115 Energy: 0.4402419989096897 Energy: 0.4067457521004262 Energy: 0.4613645993253916 Energy: 0.37117970697661073 Energy: 0.4613645993246217 Energy: 0.37117970697661073 Energy: 0.4613645993246217 Energy: 0.37117970697661073 Energy: 0.4227663745412654 Energy: 0.43087325052301706 Energy: 0.4227663745404956 Energy: 0.43087325052378694 Energy: 0.4227663745408805 Energy: 0.4308732505241719 Energy: 0.48194137818553384 Energy: 0.4522815106300729 Energy: 0.48194137818668875 Energy: 0.4522815106300729 Energy: 0.4819413781851489 Energy: 0.4522815106300729 Energy: 0.4006946473014848 Energy: 0.4416804201189459 Energy: 0.4006946473010999 Energy: 0.44168042011933084 Energy: 0.4006946473010999 Energy: 0.44168042011933084 Energy: 0.3821163869435748 Energy: 0.46170264422258467 Energy: 0.38211638694242 Energy: 0.46170264422258467 Energy: 0.3821163869439597 Energy: 0.46170264422258467 Energy: 0.405126640482771 Energy: 0.44436620622203876 Energy: 0.40512664048200114 Energy: 0.4443662062262731 Energy: 0.40512664048238606 Energy: 0.44436620622165385 Energy: 0.396671467854505 Energy: 0.44881912773284344 Energy: 0.3966714678556598 Energy: 0.44881912773322835 Energy: 0.39667146785488994 Energy: 0.44881912773322835 Energy: 0.3884685142429679 Energy: 0.47309572218073126 Energy: 0.388468514241813 Energy: 0.47309572218111623 Energy: 0.3884685142425829 Energy: 0.47309572218034635 Energy: 0.4010212541842169 Energy: 0.4082503408352809 Energy: 0.4010212541842169 Energy: 0.4082503408352809 Energy: 0.401021254183832 Energy: 0.4082503408352809 Energy: 0.4226573090668493 Energy: 0.36574324370425443 Energy: 0.4226573090672342 Energy: 0.3657432437038695 Energy: 0.4226573090664643 Energy: 0.36574324370425443 Energy: 0.3926202494832845 Energy: 0.4049198257984866 Energy: 0.39262024948289953 Energy: 0.4049198257992565 Energy: 0.3926202494825146 Energy: 0.4049198257984866 Energy: 0.3607841070818631 Energy: 0.4051166073561907 Energy: 0.36078410708224806 Energy: 0.4051166073565756 Energy: 0.3607841070818631 Energy: 0.4051166073565756 Energy: 0.46118505264419424 Energy: 0.4377704544504728 Energy: 0.46118505264457915 Energy: 0.4377704544504728 Energy: 0.46118505264457915 Energy: 0.4377704544508577 Energy: 0.41919138025143515 Energy: 0.37742319850766304 Energy: 0.41919138025178515 Energy: 0.37742319850804795 Energy: 0.41919138025143515 Energy: 0.37742319850727807 Energy: 0.45459581308272473 Energy: 0.4439207071229226 Energy: 0.4545958130815698 Energy: 0.4439207071221527 Energy: 0.4545958130819548 Energy: 0.4439207071221527 Energy: 0.40016583817492374 Energy: 0.45383105450022715 Energy: 0.4001658381745388 Energy: 0.45383105450022715 Energy: 0.40016583817492374 Energy: 0.45383105450022715 Energy: 0.44686272001620714 Energy: 0.3782773920871258 Energy: 0.446862720016977 Energy: 0.3782773920875107 Energy: 0.44686272001659205 Energy: 0.3782773920878957 Energy: 0.45009402505362034 Energy: 0.4391797905887051 Energy: 0.45009402505400525 Energy: 0.4391797905887051 Energy: 0.45009402505323537 Energy: 0.4391797905883202 Energy: 0.41692101876950866 Energy: 0.42367868952061455 Energy: 0.41692101876912374 Energy: 0.42367868952061455 Energy: 0.41692101877066345 Energy: 0.42367868952061455 Energy: 0.3891170688921399 Energy: 0.4731680628388864 Energy: 0.3891170688921399 Energy: 0.4731680628388864 Energy: 0.3891170688921399 Energy: 0.4731680628388864 Energy: 0.42684821585435284 Energy: 0.3920937707336201 Energy: 0.4268482158562775 Energy: 0.3920937707336201 Energy: 0.42684821585435284 Energy: 0.3920937707336201 Energy: 0.40129193512068795 Energy: 0.40893746521523566 Energy: 0.4012919351210729 Energy: 0.40893746521523566 Energy: 0.40129193512068795 Energy: 0.40893746521523566 Energy: 0.39167175634125184 Energy: 0.4599337847900274 Energy: 0.39167175634125184 Energy: 0.4599337847900274 Energy: 0.39167175634125184 Energy: 0.45993378479041236 Energy: 0.4014188297607514 Energy: 0.42211646231313654 Energy: 0.4014188297599815 Energy: 0.4221164623139064 Energy: 0.40141882976152127 Energy: 0.4221164623139064 Energy: 0.44938841988565226 Energy: 0.4649541889800521 Energy: 0.44938841988642214 Energy: 0.4649541889800521 Energy: 0.44938841988565226 Energy: 0.464954188980437 Energy: 0.44914862288350826 Energy: 0.43089766675912483 Energy: 0.4491486228827384 Energy: 0.4308976667595098 Energy: 0.4491486228831233 Energy: 0.4308976667595098 Energy: 0.4025816446085482 Energy: 0.4419111442881521 Energy: 0.40258164460931806 Energy: 0.44191114428853706 Energy: 0.40258164460893314 Energy: 0.44191114428853706 Energy: 0.4756675509661954 Energy: 0.4428469469916565 Energy: 0.4756675509661954 Energy: 0.4428469469916565 Energy: 0.4756675509658104 Energy: 0.4428469469928113 Energy: 0.4216883217154844 Energy: 0.378311484467474 Energy: 0.42168832171586934 Energy: 0.3783114844686288 Energy: 0.42168832171586934 Energy: 0.37831148446824386 Energy: 0.46003961393638815 Energy: 0.45205508008021833 Energy: 0.46003961393754295 Energy: 0.45205508008021833 Energy: 0.46003961393638815 Energy: 0.45205508008021833 Energy: 0.41382241669412373 Energy: 0.40629912884860514 Energy: 0.41382241669373876 Energy: 0.40629912884899005 Energy: 0.41382241669335385 Energy: 0.40629912884899005 Energy: 0.39219086036573514 Energy: 0.40685373430731664 Energy: 0.39219086036612005 Energy: 0.40685373430731664 Energy: 0.39219086036688994 Energy: 0.40685373430731664 Energy: 0.4847132319478835 Energy: 0.36462011377758924 Energy: 0.48471323194826843 Energy: 0.36462011377758924 Energy: 0.4847132319478835 Energy: 0.36462011377758924 Energy: 0.4002764498015095 Energy: 0.4036182880872794 Energy: 0.4002764498007396 Energy: 0.4036182880872794 Energy: 0.4002764498018944 Energy: 0.4036182880872794 minimum gb energy = 0.3607841070818631 eV minimum distance = 2.66924731296278 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.5131513932344747 Energy: 0.4227793321211022 Energy: 0.5131513932344747 Energy: 0.4227793321211022 Energy: 0.5131513932344747 Energy: 0.4227793321211022 Energy: 0.44006683494965376 Energy: 0.4662505185473377 Energy: 0.44006683494965376 Energy: 0.4662505185473377 Energy: 0.44006683494965376 Energy: 0.4662505185473377 Energy: 0.5568679722232135 Energy: 0.46810513195518894 Energy: 0.5568679722232135 Energy: 0.46810513195518894 Energy: 0.5568679722232135 Energy: 0.46810513195518894 Energy: 0.47728477921789286 Energy: 0.5347254833146549 Energy: 0.47728477921789286 Energy: 0.5347254833136038 Energy: 0.47728477921789286 Energy: 0.5347254833146549 Energy: 0.489672422724224 Energy: 0.46963815036752193 Energy: 0.489672422724224 Energy: 0.46963815036752193 Energy: 0.489672422724224 Energy: 0.46963815036752193 Energy: 0.5199967181004888 Energy: 0.48726892772409613 Energy: 0.5199967181004888 Energy: 0.4872689277251472 Energy: 0.5199967180994617 Energy: 0.48726892772409613 Energy: 0.45047853236350927 Energy: 0.4885363402461842 Energy: 0.45047853236350927 Energy: 0.4885363402461842 Energy: 0.45047853236350927 Energy: 0.4885363402461842 Energy: 0.46913857313127266 Energy: 0.5113194331186341 Energy: 0.46913857313127266 Energy: 0.5113194331186341 Energy: 0.46913857313127266 Energy: 0.5113194331186341 Energy: 0.4554398910160428 Energy: 0.4483752329698993 Energy: 0.4554398910160428 Energy: 0.44837523297095033 Energy: 0.4554398910160428 Energy: 0.4483752329698993 Energy: 0.513327823314604 Energy: 0.424641716698531 Energy: 0.513327823314604 Energy: 0.424641716698531 Energy: 0.513327823314604 Energy: 0.424641716698531 Energy: 0.47275884903476534 Energy: 0.4680439148288477 Energy: 0.47275884903476534 Energy: 0.4680439148288477 Energy: 0.4727588490337143 Energy: 0.4680439148288477 Energy: 0.4797526309105975 Energy: 0.4661303592305052 Energy: 0.4797526309105975 Energy: 0.4661303592305052 Energy: 0.4797526309105975 Energy: 0.4661303592305052 Energy: 0.5306195294482628 Energy: 0.537927289806033 Energy: 0.5306195294482628 Energy: 0.537927289806033 Energy: 0.5306195294482628 Energy: 0.537927289806033 Energy: 0.5368214124928775 Energy: 0.4702916014625408 Energy: 0.5368214124928775 Energy: 0.4702916014625408 Energy: 0.5368214124939285 Energy: 0.47029160146359184 minimum gb energy = 0.4227793321211022 eV minimum distance = 2.65348854530121 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 0.5684049956364366 Energy: 0.5098878934004666 Energy: 0.5684049956368984 Energy: 0.5098878934004666 Energy: 0.5684049956378218 Energy: 0.5098878934004666 Energy: 0.46740537523498793 Energy: 0.5309901455579338 Energy: 0.46740537523498793 Energy: 0.530990145557472 Energy: 0.46740537523544967 Energy: 0.5309901455579338 Energy: 0.5219796913162782 Energy: 0.5339285228824997 Energy: 0.521979691318125 Energy: 0.533928522882038 Energy: 0.5219796913172017 Energy: 0.5339285228824997 Energy: 0.5282693851706062 Energy: 0.4798021580986112 Energy: 0.5282693851706062 Energy: 0.4798021580981495 Energy: 0.5282693851706062 Energy: 0.4798021580981495 Energy: 0.529307926279165 Energy: 0.5305388049328339 Energy: 0.5293079262800884 Energy: 0.5305388049332956 Energy: 0.5293079262800884 Energy: 0.5305388049328339 Energy: 0.49470708700994237 Energy: 0.5285858959180545 Energy: 0.4947070870090189 Energy: 0.5285858959185163 Energy: 0.49470708700948063 Energy: 0.5285858959180545 Energy: 0.5398218333253924 Energy: 0.4952750924586532 Energy: 0.5398218333258541 Energy: 0.4952750924586532 Energy: 0.5398218333253924 Energy: 0.4952750924586532 Energy: 0.5144621425137836 Energy: 0.5095351483312578 Energy: 0.5144621425137836 Energy: 0.5095351483312578 Energy: 0.5144621425133218 Energy: 0.5095351483312578 Energy: 0.506244814667203 Energy: 0.5106853551431269 Energy: 0.506244814667203 Energy: 0.5106853551426652 Energy: 0.5062448146667412 Energy: 0.5106853551426652 Energy: 0.5271561503777586 Energy: 0.5114260170114058 Energy: 0.5271561503777586 Energy: 0.5114260170118674 Energy: 0.5271561503777586 Energy: 0.5114260170118674 Energy: 0.49862028856395235 Energy: 0.5376972955114205 Energy: 0.49862028856395235 Energy: 0.5376972955114205 Energy: 0.49862028856395235 Energy: 0.5376972955114205 Energy: 0.5211992293867443 Energy: 0.542998650697975 Energy: 0.5211992293867443 Energy: 0.542998650697975 Energy: 0.5211992293872062 Energy: 0.5429986506975134 Energy: 0.5326725521790505 Energy: 0.5099962971064063 Energy: 0.5326725521785888 Energy: 0.5099962971064063 Energy: 0.5326725521790505 Energy: 0.5099962971064063 Energy: 0.48204025860686883 Energy: 0.5447180228455792 Energy: 0.48204025860686883 Energy: 0.5447180228455792 Energy: 0.4820402586073306 Energy: 0.5447180228455792 Energy: 0.468484582655106 Energy: 0.4951836971553254 Energy: 0.468484582655106 Energy: 0.4951836971553254 Energy: 0.468484582655106 Energy: 0.4951836971557871 Energy: 0.5430105049841125 Energy: 0.49506197638976257 Energy: 0.5430105049841125 Energy: 0.49506197638976257 Energy: 0.5430105049841125 Energy: 0.49506197638930083 Energy: 0.48300244623756405 Energy: 0.5257590796092596 Energy: 0.48300244623756405 Energy: 0.5257590796092596 Energy: 0.48300244623894917 Energy: 0.5257590796097212 Energy: 0.5608645787132532 Energy: 0.5570434363566933 Energy: 0.5608645787123298 Energy: 0.5570434363562315 Energy: 0.5608645787132532 Energy: 0.5570434363557699 Energy: 0.4984638612340498 Energy: 0.4857355652609486 Energy: 0.4984638612345115 Energy: 0.4857355652609486 Energy: 0.4984638612340498 Energy: 0.4857355652609486 Energy: 0.5078270165073643 Energy: 0.543256113526644 Energy: 0.5078270165073643 Energy: 0.543256113526644 Energy: 0.5078270165073643 Energy: 0.543256113526644 Energy: 0.47519867894145107 Energy: 0.48984674475886025 Energy: 0.4751986789409894 Energy: 0.48984674475886025 Energy: 0.4751986789409894 Energy: 0.48984674475886025 Energy: 0.5569592109652254 Energy: 0.510185936244307 Energy: 0.5569592109647636 Energy: 0.510185936244307 Energy: 0.5569592109652254 Energy: 0.510185936244307 Energy: 0.5090413432293571 Energy: 0.5315311230924691 Energy: 0.509041343229819 Energy: 0.5315311230924691 Energy: 0.509041343229819 Energy: 0.5315311230924691 Energy: 0.5408572261984146 Energy: 0.529342579288215 Energy: 0.5408572261984146 Energy: 0.529342579288215 Energy: 0.540857226197953 Energy: 0.529342579288215 Energy: 0.520808257050692 Energy: 0.5031784566576414 Energy: 0.5208082570511536 Energy: 0.5031784566576414 Energy: 0.5208082570511536 Energy: 0.5031784566581031 Energy: 0.48729853868337014 Energy: 0.5417155620177229 Energy: 0.48729853868337014 Energy: 0.5417155620177229 Energy: 0.48729853868383183 Energy: 0.5417155620186463 Energy: 0.5081927028222372 Energy: 0.5130475765485576 Energy: 0.5081927028222372 Energy: 0.513047576549481 Energy: 0.5081927028222372 Energy: 0.5130475765485576 Energy: 0.5376286366582338 Energy: 0.5141869599952764 Energy: 0.5376286366577722 Energy: 0.5141869599952764 Energy: 0.5376286366577722 Energy: 0.5141869599948147 Energy: 0.48461457974750755 Energy: 0.5455357914918452 Energy: 0.4846145797470458 Energy: 0.5455357914918452 Energy: 0.48461457974750755 Energy: 0.5455357914918452 Energy: 0.4851829525896967 Energy: 0.4733743008574085 Energy: 0.4851829525896967 Energy: 0.4733743008574085 Energy: 0.48518295258923494 Energy: 0.4733743008574085 Energy: 0.5245851535540411 Energy: 0.5377566365552684 Energy: 0.5245851535535795 Energy: 0.5377566365548067 Energy: 0.5245851535540411 Energy: 0.5377566365548067 minimum gb energy = 0.46740537523498793 eV minimum distance = 2.59318468718416 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 0.49248959677746235 Energy: 0.44452469333020705 Energy: 0.49248959677746235 Energy: 0.44452469333020705 Energy: 0.4924895967766408 Energy: 0.44452469333020705 Energy: 0.5218994847031126 Energy: 0.5382913121896259 Energy: 0.5218994847022909 Energy: 0.5382913121896259 Energy: 0.5218994847031126 Energy: 0.5382913121896259 Energy: 0.5270350867177721 Energy: 0.5224882675462605 Energy: 0.5270350867169504 Energy: 0.5224882675462605 Energy: 0.5270350867169504 Energy: 0.5224882675462605 Energy: 0.4997431763703906 Energy: 0.6214992533014094 Energy: 0.4997431763703906 Energy: 0.6214992533014094 Energy: 0.4997431763703906 Energy: 0.6214992533014094 Energy: 0.5268943966610078 Energy: 0.5225692484140032 Energy: 0.5268943966601862 Energy: 0.5225692484140032 Energy: 0.5268943966601862 Energy: 0.5225692484140032 Energy: 0.521824181318287 Energy: 0.5366826868058036 Energy: 0.5218241813191086 Energy: 0.5366826868058036 Energy: 0.521824181318287 Energy: 0.5366826868066251 Energy: 0.4924895967766408 Energy: 0.44452469333020705 Energy: 0.4924895967766408 Energy: 0.44452469333020705 Energy: 0.4924895967766408 Energy: 0.4445246933293854 Energy: 0.5218994847039342 Energy: 0.5382913121896259 Energy: 0.5218994847031126 Energy: 0.5382913121896259 Energy: 0.5218994847031126 Energy: 0.5382913121896259 Energy: 0.5270350867177721 Energy: 0.5224882675462605 Energy: 0.5270350867177721 Energy: 0.5224882675462605 Energy: 0.5270350867177721 Energy: 0.5224882675462605 Energy: 0.49974317636956894 Energy: 0.597262100110951 Energy: 0.49974317636956894 Energy: 0.597262100110951 Energy: 0.4997431763687474 Energy: 0.597262100110951 Energy: 0.5268943966618294 Energy: 0.5225692484148248 Energy: 0.5268943966618294 Energy: 0.5225692484148248 Energy: 0.5268943966618294 Energy: 0.5225692484140032 Energy: 0.521824181318287 Energy: 0.5366826868066251 Energy: 0.521824181318287 Energy: 0.5366826868066251 Energy: 0.521824181318287 Energy: 0.5366826868066251 Energy: 0.49248959677746235 Energy: 0.44452469333020705 Energy: 0.49248959677746235 Energy: 0.44452469333020705 Energy: 0.49248959677746235 Energy: 0.44452469333020705 Energy: 0.5218994847031126 Energy: 0.5382913121896259 Energy: 0.5218994847031126 Energy: 0.5382913121896259 Energy: 0.5218994847031126 Energy: 0.5382913121896259 Energy: 0.5270350867177721 Energy: 0.5224882675462605 Energy: 0.5270350867177721 Energy: 0.5224882675462605 Energy: 0.5270350867177721 Energy: 0.5224882675462605 Energy: 0.4997431763703906 Energy: 0.5201136507500337 Energy: 0.4997431763703906 Energy: 0.5201136507500337 Energy: 0.4997431763703906 Energy: 0.5201136507500337 Energy: 0.5268943966601862 Energy: 0.5225692484140032 Energy: 0.5268943966610078 Energy: 0.5225692484140032 Energy: 0.5268943966601862 Energy: 0.5225692484140032 minimum gb energy = 0.4445246933293854 eV minimum distance = 2.63546357416764 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 0.5082752217242718 Energy: 0.5542504637635939 Energy: 0.5082752217242718 Energy: 0.5542504637635939 Energy: 0.5082752217242718 Energy: 0.5542504637635939 Energy: 0.5415869725564526 Energy: 0.5415074529599114 Energy: 0.5415869725564526 Energy: 0.5415074529605823 Energy: 0.5415869725571235 Energy: 0.5415074529599114 Energy: 0.52235526336936 Energy: 0.5066916687595299 Energy: 0.5223552633700308 Energy: 0.5066916687602007 Energy: 0.5223552633700308 Energy: 0.5066916687602007 Energy: 0.49305736887921575 Energy: 0.5724549200451183 Energy: 0.49305736887988655 Energy: 0.5724549200451183 Energy: 0.49305736887921575 Energy: 0.5724549200451183 Energy: 0.5035256952427162 Energy: 0.5445897492515618 Energy: 0.5035256952427162 Energy: 0.544589749250891 Energy: 0.5035256952427162 Energy: 0.544589749250891 Energy: 0.5657317197215597 Energy: 0.5121608280571744 Energy: 0.5657317197215597 Energy: 0.5121608280571744 Energy: 0.5657317197215597 Energy: 0.5121608280571744 Energy: 0.4934521498580441 Energy: 0.5143903804161769 Energy: 0.4934521498580441 Energy: 0.5143903804161769 Energy: 0.4934521498580441 Energy: 0.5143903804161769 Energy: 0.5557621011401487 Energy: 0.5152926175332642 Energy: 0.5557621011401487 Energy: 0.5152926175305808 Energy: 0.5557621011401487 Energy: 0.5152926175332642 Energy: 0.6099310862203744 Energy: 0.5146985513463264 Energy: 0.6099310862203744 Energy: 0.5146985513469972 Energy: 0.6099310862197036 Energy: 0.5146985513469972 Energy: 0.4931512190580562 Energy: 0.5233968909474983 Energy: 0.4931512190580562 Energy: 0.5233968909474983 Energy: 0.4931512190580562 Energy: 0.5233968909474983 Energy: 0.5120025847169747 Energy: 0.5229508254207811 Energy: 0.5120025847163039 Energy: 0.5229508254207811 Energy: 0.5120025847169747 Energy: 0.5229508254207811 Energy: 0.5399806814457204 Energy: 0.5006138036069303 Energy: 0.5399806814443787 Energy: 0.5006138036069303 Energy: 0.5399806814443787 Energy: 0.5006138036076012 Energy: 0.4978174105750893 Energy: 0.5552881141743321 Energy: 0.4978174105750893 Energy: 0.5552881141743321 Energy: 0.4978174105750893 Energy: 0.5552881141743321 Energy: 0.5043442933517739 Energy: 0.5334446110759137 Energy: 0.5043442933524449 Energy: 0.5334446110759137 Energy: 0.5043442933524449 Energy: 0.5334446110759137 Energy: 0.5172295961628127 Energy: 0.5125776638532504 Energy: 0.5172295961628127 Energy: 0.5125776638532504 Energy: 0.5172295961628127 Energy: 0.5125776638525795 Energy: 0.5104121345137885 Energy: 0.5443693003401544 Energy: 0.5104121345137885 Energy: 0.5443693003388127 Energy: 0.5104121345137885 Energy: 0.5443693003388127 Energy: 0.5466944602822517 Energy: 0.5446745370950472 Energy: 0.5466944602829225 Energy: 0.5446745370943764 Energy: 0.5466944602829225 Energy: 0.5446745370950472 Energy: 0.5718016287894443 Energy: 0.5189151076428089 Energy: 0.5718016287901151 Energy: 0.5189151076428089 Energy: 0.5718016287894443 Energy: 0.5189151076428089 Energy: 0.5022873430683518 Energy: 0.5330216995930922 Energy: 0.5022873430683518 Energy: 0.5330216995930922 Energy: 0.502287343067681 Energy: 0.5330216995930922 Energy: 0.5330514348602492 Energy: 0.5311110536342085 Energy: 0.5330514348602492 Energy: 0.5311110536362211 Energy: 0.5330514348602492 Energy: 0.5311110536342085 Energy: 0.5407069295380004 Energy: 0.5003954504949202 Energy: 0.5407069295386713 Energy: 0.5003954504949202 Energy: 0.5407069295386713 Energy: 0.5003954504949202 minimum gb energy = 0.49305736887921575 eV minimum distance = 2.62344133142409 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 0.5018155998172352 Energy: 0.5491610547880836 Energy: 0.5018155998172352 Energy: 0.5491610547875182 Energy: 0.5018155998172352 Energy: 0.5491610547869527 Energy: 0.5434275485548641 Energy: 0.522990458727847 Energy: 0.5434275485542986 Energy: 0.522990458727847 Energy: 0.5434275485554296 Energy: 0.522990458727847 Energy: 0.5321544294400126 Energy: 0.4662287216412625 Energy: 0.5321544294400126 Energy: 0.4662287216412625 Energy: 0.5321544294400126 Energy: 0.4662287216412625 Energy: 0.45204521109063023 Energy: 0.4842609778751705 Energy: 0.45204521109063023 Energy: 0.48426097787573597 Energy: 0.4520452110917612 Energy: 0.48426097787573597 Energy: 0.4801604614840865 Energy: 0.5235430348901251 Energy: 0.4801604614840865 Energy: 0.5235430348901251 Energy: 0.4801604614840865 Energy: 0.5235430348901251 Energy: 0.5550931151155166 Energy: 0.4972112273598783 Energy: 0.5550931151149511 Energy: 0.4972112273598783 Energy: 0.5550931151143856 Energy: 0.4972112273598783 Energy: 0.5222177497237775 Energy: 0.5480822968236018 Energy: 0.5222177497237775 Energy: 0.5480822968236018 Energy: 0.5222177497237775 Energy: 0.5480822968236018 Energy: 0.4912363513287719 Energy: 0.5332354098829164 Energy: 0.4912363513293374 Energy: 0.5332354098829164 Energy: 0.4912363513287719 Energy: 0.533235409882351 Energy: 0.5139262621359825 Energy: 0.4547020326244664 Energy: 0.5139262621359825 Energy: 0.4547020326244664 Energy: 0.513926262136548 Energy: 0.4547020326244664 Energy: 0.5083804615228802 Energy: 0.5575268827572951 Energy: 0.5083804615234456 Energy: 0.557526882758426 Energy: 0.5083804615228802 Energy: 0.557526882758426 Energy: 0.5008340786461132 Energy: 0.5513894821282345 Energy: 0.5008340786449823 Energy: 0.5513894821282345 Energy: 0.5008340786455477 Energy: 0.5513894821282345 Energy: 0.5434613665614284 Energy: 0.46530466760036676 Energy: 0.5434613665614284 Energy: 0.46530466760036676 Energy: 0.5434613665619937 Energy: 0.46530466760036676 Energy: 0.528789485271041 Energy: 0.49277174444647187 Energy: 0.5287894852716064 Energy: 0.49277174444647187 Energy: 0.5287894852704755 Energy: 0.4927717444470373 Energy: 0.4520997601179417 Energy: 0.5179247108268761 Energy: 0.45209976011850717 Energy: 0.5179247108274415 Energy: 0.45209976011850717 Energy: 0.5179247108268761 Energy: 0.5545870987528944 Energy: 0.4971041031865236 Energy: 0.5545870987528944 Energy: 0.4971041031870891 Energy: 0.5545870987528944 Energy: 0.4971041031865236 Energy: 0.5222603327546408 Energy: 0.4997571272202806 Energy: 0.5222603327546408 Energy: 0.4997571272197151 Energy: 0.5222603327546408 Energy: 0.4997571272197151 Energy: 0.46509981372806486 Energy: 0.5336751374603008 Energy: 0.46509981372806486 Energy: 0.5336751374597354 Energy: 0.4650998137286303 Energy: 0.5336751374597354 Energy: 0.4859989084563353 Energy: 0.4666856067543366 Energy: 0.4859989084569008 Energy: 0.4666856067543366 Energy: 0.4859989084569008 Energy: 0.46668560675377113 Energy: 0.48482685345229676 Energy: 0.47964829361941863 Energy: 0.48482685345286225 Energy: 0.4796482936199841 Energy: 0.48482685345286225 Energy: 0.47964829361941863 Energy: 0.5018155998161042 Energy: 0.5491610547869527 Energy: 0.5018155998155388 Energy: 0.5491610547869527 Energy: 0.5018155998166698 Energy: 0.5491610547875182 Energy: 0.5434275485571259 Energy: 0.522990458728978 Energy: 0.543427548555995 Energy: 0.522990458728978 Energy: 0.5434275485571259 Energy: 0.5229904587284124 Energy: 0.532154429439447 Energy: 0.4662287216395661 Energy: 0.5321544294400126 Energy: 0.4662287216395661 Energy: 0.5321544294400126 Energy: 0.4662287216390006 Energy: 0.45204521109063023 Energy: 0.4842609778774324 Energy: 0.4520452110917612 Energy: 0.4842609778779979 Energy: 0.4520452110911957 Energy: 0.4842609778779979 Energy: 0.48016046148125924 Energy: 0.523543034891256 Energy: 0.4801604614823901 Energy: 0.523543034891256 Energy: 0.4801604614818246 Energy: 0.5235430348918214 Energy: 0.5550931151160821 Energy: 0.49721122735931284 Energy: 0.5550931151160821 Energy: 0.49721122735874734 Energy: 0.5550931151166476 Energy: 0.49721122735931284 minimum gb energy = 0.45204521109063023 eV minimum distance = 2.63222320898346 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 0.4607763021693235 Energy: 0.5465320454077705 Energy: 0.4607763021693235 Energy: 0.5465320454077705 Energy: 0.4607763021693235 Energy: 0.5465320454077705 Energy: 0.5535050013104221 Energy: 0.5102207562122013 Energy: 0.5535050013104221 Energy: 0.5102207562122013 Energy: 0.5535050013104221 Energy: 0.5102207562117133 Energy: 0.5860861445940069 Energy: 0.4516694449959978 Energy: 0.5860861445940069 Energy: 0.451669444996486 Energy: 0.5860861445944949 Energy: 0.451669444996486 Energy: 0.4491787977470418 Energy: 0.5371865259513176 Energy: 0.4491787977475299 Energy: 0.5371865259513176 Energy: 0.4491787977475299 Energy: 0.5371865259513176 Energy: 0.4955533271074 Energy: 0.5186725387286512 Energy: 0.49555332710788813 Energy: 0.5186725387286512 Energy: 0.4955533271083762 Energy: 0.5186725387286512 Energy: 0.5393290648852626 Energy: 0.448077567428375 Energy: 0.5393290648852626 Energy: 0.4480775674278869 Energy: 0.5393290648857506 Energy: 0.4480775674278869 Energy: 0.45748468245435103 Energy: 0.5926460500365142 Energy: 0.4574846824528867 Energy: 0.5926460500370022 Energy: 0.4574846824538629 Energy: 0.5926460500365142 Energy: 0.4810479478671923 Energy: 0.5863741285994476 Energy: 0.4810479478676804 Energy: 0.5863741285989595 Energy: 0.4810479478676804 Energy: 0.5863741285994476 Energy: 0.5598728908955849 Energy: 0.4408031014038651 Energy: 0.5598728908950968 Energy: 0.4408031014038651 Energy: 0.5598728908955849 Energy: 0.4408031014038651 Energy: 0.5181372088166324 Energy: 0.5138136691872783 Energy: 0.5181372088171206 Energy: 0.5138136691872783 Energy: 0.5181372088166324 Energy: 0.5138136691877665 Energy: 0.44204680964834153 Energy: 0.5864171358501481 Energy: 0.4420468096488297 Energy: 0.5864171358501481 Energy: 0.4420468096488297 Energy: 0.5864171358501481 Energy: 0.5576461804065972 Energy: 0.45309857741220705 Energy: 0.5576461804061091 Energy: 0.45309857741269516 Energy: 0.5576461804065972 Energy: 0.45309857741220705 Energy: 0.5227577497122128 Energy: 0.5005427168132579 Energy: 0.5227577497088183 Energy: 0.5005427168132579 Energy: 0.5227577497093063 Energy: 0.5005427168132579 Energy: 0.4471278210851231 Energy: 0.5420619431377385 Energy: 0.4471278210855891 Energy: 0.5420619431377385 Energy: 0.4471278210855891 Energy: 0.5420619431377385 Energy: 0.5091366325103036 Energy: 0.4456613364606827 Energy: 0.5091366325098154 Energy: 0.44566133646019457 Energy: 0.5091366325103036 Energy: 0.44566133646019457 Energy: 0.5840397916153982 Energy: 0.4410370145323816 Energy: 0.5840397916163522 Energy: 0.4410370145318935 Energy: 0.5840397916158864 Energy: 0.4410370145323816 Energy: 0.4547835305466229 Energy: 0.5321747494295938 Energy: 0.4547835305466229 Energy: 0.5321747494300819 Energy: 0.4547835305466229 Energy: 0.5321747494300819 Energy: 0.49731418483210865 Energy: 0.5368206587912624 Energy: 0.49731418483210865 Energy: 0.5368206587907743 Energy: 0.49731418483210865 Energy: 0.5368206587907743 Energy: 0.5395782250509809 Energy: 0.44757879823198826 Energy: 0.5395782250514689 Energy: 0.44757879823198826 Energy: 0.5395782250514689 Energy: 0.44757879823198826 Energy: 0.45420646251260294 Energy: 0.5174564974156047 Energy: 0.45420646251211483 Energy: 0.5174564974131641 Energy: 0.45420646251309105 Energy: 0.5174564974156047 Energy: 0.4480610947289362 Energy: 0.5869377175463624 Energy: 0.4480610947294243 Energy: 0.5869377175463624 Energy: 0.4480610947289362 Energy: 0.5869377175463624 Energy: 0.5767380552402882 Energy: 0.4515787513275349 Energy: 0.5767380552398 Energy: 0.4515787513275349 Energy: 0.5767380552398 Energy: 0.4515787513275349 Energy: 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Energy: 0.5958526002096869 Energy: 0.42264216861048154 Energy: 0.5958526002096869 Energy: 0.42264216861048154 Energy: 0.5958526002096869 Energy: 0.6114848624271911 Energy: 0.4655841634249366 Energy: 0.6114848624271911 Energy: 0.4655841634245075 Energy: 0.6114848624271911 Energy: 0.4655841634245075 Energy: 0.5437067564770588 Energy: 0.43019077599520894 Energy: 0.5437067564774878 Energy: 0.43019077599520894 Energy: 0.5437067564774878 Energy: 0.43019077599563804 Energy: 0.4435881269665231 Energy: 0.57233725603107 Energy: 0.44358812696695216 Energy: 0.5723372560353608 Energy: 0.4435881269665231 Energy: 0.57233725603107 Energy: 0.4418284042400587 Energy: 0.46598467596177423 Energy: 0.44182840423662617 Energy: 0.46598467596177423 Energy: 0.44182840423920056 Energy: 0.46598467596134513 Energy: 0.5411476393198834 Energy: 0.4318017791207082 Energy: 0.5411476393207415 Energy: 0.4318017791207082 Energy: 0.5411476393211705 Energy: 0.4318017791202791 Energy: 0.42260778817955236 Energy: 0.605280664788415 Energy: 0.42260778817955236 Energy: 0.6052806647888441 Energy: 0.42260778817955236 Energy: 0.605280664788415 Energy: 0.4202071682549288 Energy: 0.5020782969540816 Energy: 0.4202071682553579 Energy: 0.5020782969549201 Energy: 0.4202071682553579 Energy: 0.5020782969557783 Energy: 0.5342686764216229 Energy: 0.42465953417749247 Energy: 0.5342686764211938 Energy: 0.42465953417749247 Energy: 0.5342686764216229 Energy: 0.42465953417749247 Energy: 0.4338363011600762 Energy: 0.453733557862687 Energy: 0.43383630116050526 Energy: 0.45373355786311603 Energy: 0.4338363011613634 Energy: 0.45373355786311603 Energy: 0.431062468012246 Energy: 0.6035515545480186 Energy: 0.43106246801181697 Energy: 0.6035515545480186 Energy: 0.4310624680113878 Energy: 0.6035515545480186 Energy: 0.6010174848137335 Energy: 0.4239949085766925 Energy: 0.6010174848137335 Energy: 0.4239949085766925 Energy: 0.6010174848137335 Energy: 0.4239949085771216 Energy: 0.5457017713966936 Energy: 0.4240385041566775 Energy: 0.5457017713966936 Energy: 0.4240385041566775 Energy: 0.5457017713966936 Energy: 0.4240385041566775 Energy: 0.423844477239658 Energy: 0.5383415692525059 Energy: 0.42384447723879987 Energy: 0.5383415692525059 Energy: 0.4238444772392289 Energy: 0.5383415692525059 Energy: 0.4577577682844116 Energy: 0.43799605766457084 Energy: 0.4577577682844116 Energy: 0.43799605766457084 Energy: 0.45775776828484066 Energy: 0.43799605766499994 Energy: 0.5434312240278105 Energy: 0.43173548256453753 Energy: 0.5434312240278105 Energy: 0.43173548256453753 Energy: 0.5434312240278105 Energy: 0.43173548256453753 Energy: 0.440903071991425 Energy: 0.5724262386114013 Energy: 0.4409030719909959 Energy: 0.5724262386114013 Energy: 0.4409030719909959 Energy: 0.5724262386114013 Energy: 0.4410775400049221 Energy: 0.5103162878988048 Energy: 0.4410775400049221 Energy: 0.5103162878988048 Energy: 0.4410775400049221 Energy: 0.5103162878979466 Energy: 0.538218661437903 Energy: 0.43005645491479794 Energy: 0.5382186614383321 Energy: 0.43005645491522704 Energy: 0.538218661437903 Energy: 0.43005645491479794 Energy: 0.4201786475024256 Energy: 0.47394938597124664 Energy: 0.4201786475032838 Energy: 0.47394938596995945 Energy: 0.4201786475032838 Energy: 0.47394938596995945 Energy: 0.42260116304342765 Energy: 0.5372169512039263 Energy: 0.42260116304342765 Energy: 0.5372169512039263 Energy: 0.4226011630429986 Energy: 0.5372169512039263 Energy: 0.560180178667835 Energy: 0.4241225108403572 Energy: 0.5601801786674059 Energy: 0.4241225108403572 Energy: 0.560180178667835 Energy: 0.4241225108403572 Energy: 0.5386536696151053 Energy: 0.42333188744461653 Energy: 0.5386536696151053 Energy: 0.4233318874441875 Energy: 0.5386536696151053 Energy: 0.42333188744461653 minimum gb energy = 0.4201786475024256 eV minimum distance = 2.64496024130061 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.01181050189265362 Energy: 0.6174269354583726 Energy: 0.011810501892990316 Energy: 0.6174269354583726 Energy: 0.01181050189265362 Energy: 0.6174269354583726 Energy: 0.01337453802502655 Energy: 0.18345374994030755 Energy: 0.01337453802502655 Energy: 0.18345374994135727 Energy: 0.013374538025363246 Energy: 0.18345374994100075 Energy: 0.18345374994100075 Energy: 0.18350122986941453 Energy: 0.18350122986941453 Energy: 0.1835012298711574 Energy: 0.1835012298711574 Energy: 0.1835012298711574 Energy: 0.013374538024333353 Energy: 0.18345374994240696 Energy: 0.013374538023976854 Energy: 0.18345374994240696 Energy: 0.013374538023620354 Energy: 0.18345374994240696 minimum gb energy = 0.01181050189265362 eV minimum distance = 2.83249659389367 Angstroms sigma value = 1