Model name: model_name=MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_000 a1: a1=[-1, 1, 0] a2: a2=[0, 0, 1] a3: a3=[1, 1, 0] Species: species=Cu Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.6200000196695328 cohesive_energy=3.540278409563987 mass=63.546 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: 0.013651480461225985 Energy: 0.607045709191162 Energy: 0.013651480461225985 Energy: 0.607045709191162 Energy: 0.013651480461225985 Energy: 0.607045709191162 Energy: 0.607045709191162 Energy: 0.014674343485501572 Energy: 0.607045709191162 Energy: 0.014674343484910838 Energy: 0.607045709191162 Energy: 0.014674343484910838 Energy: 0.013651480461225985 Energy: 0.607045709191162 Energy: 0.013651480461225985 Energy: 0.607045709191162 Energy: 0.013651480461225985 Energy: 0.607045709191162 Energy: 0.607045709191162 Energy: 0.014674343485501572 Energy: 0.607045709191162 Energy: 0.014674343486127058 Energy: 0.607045709191162 Energy: 0.014674343485501572 Energy: 0.013651480461225985 Energy: 0.607045709191162 Energy: 0.013651480461225985 Energy: 0.607045709191162 Energy: 0.013651480461225985 Energy: 0.607045709191162 Energy: 0.607045709191162 Energy: 0.01467434348522358 Energy: 0.607045709191162 Energy: 0.014674343484598095 Energy: 0.607045709191162 Energy: 0.014674343484598095 minimum gb energy = 0.013651480461225985 eV minimum distance = 2.55473761351376 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 0.9501977065179749 Energy: 0.8923097097617906 Energy: 0.9501977065179749 Energy: 0.8923097097625433 Energy: 0.9501977065179749 Energy: 0.8923097097617906 Energy: 0.9778636444771546 Energy: 0.8397226437216823 Energy: 0.9778636444779074 Energy: 0.8397226437216823 Energy: 0.9778636444771546 Energy: 0.8397226437216823 Energy: 0.9050957625894896 Energy: 0.9066822640200002 Energy: 0.9050957625894896 Energy: 0.9066822640200002 Energy: 0.9050957625894896 Energy: 0.9066822640200002 Energy: 0.8870569124111555 Energy: 0.8910899626085121 Energy: 0.8870569124111555 Energy: 0.8910899626085121 Energy: 0.8870569124119084 Energy: 0.8910899626077594 Energy: 0.8992027783847466 Energy: 0.9369797653839786 Energy: 0.8992027783854994 Energy: 0.9369797653832258 Energy: 0.8992027783854994 Energy: 0.9369797653832258 Energy: 0.9288315993307076 Energy: 0.870072970957166 Energy: 0.9288315993307076 Energy: 0.870072970957166 Energy: 0.9288315993299546 Energy: 0.870072970957166 Energy: 0.915026389582595 Energy: 0.9163318986081894 Energy: 0.9150263895833478 Energy: 0.9163318986089424 Energy: 0.915026389582595 Energy: 0.9163318986089424 Energy: 0.8721596963716557 Energy: 0.9792693297907781 Energy: 0.8721596963716557 Energy: 0.9792693297907781 Energy: 0.8721596963716557 Energy: 0.9792693297915308 Energy: 0.9318661462152915 Energy: 0.9376216600152124 Energy: 0.9318661462160442 Energy: 0.9376216600144597 Energy: 0.9318661462152915 Energy: 0.9376216600144597 Energy: 0.8355079774318196 Energy: 0.9681556175185603 Energy: 0.8355079774318196 Energy: 0.9681556175185603 Energy: 0.8355079774318196 Energy: 0.9681556175185603 Energy: 1.0853149952264238 Energy: 0.8708506238704349 Energy: 1.0853149952271768 Energy: 0.8708506238704349 Energy: 1.0853149952264238 Energy: 0.8708506238704349 Energy: 0.8187971236976291 Energy: 0.9813273045546423 Energy: 0.8187971236976291 Energy: 0.9813273045546423 Energy: 0.8187971236976291 Energy: 0.9813273045546423 Energy: 0.9657285481429336 Energy: 0.8117058050275902 Energy: 0.9657285481436866 Energy: 0.8117058050275902 Energy: 0.9657285481429336 Energy: 0.8117058050275902 Energy: 0.8835294231551566 Energy: 0.8786939355634175 Energy: 0.8835294231551566 Energy: 0.8786939355634175 Energy: 0.8835294231551566 Energy: 0.8786939355634175 Energy: 0.990728961547438 Energy: 0.840824051061237 Energy: 0.9907289615481907 Energy: 0.840824051061237 Energy: 0.990728961547438 Energy: 0.840824051061237 Energy: 0.9958499950748283 Energy: 0.9313155626534199 Energy: 0.9958499950748283 Energy: 0.9313155626534199 Energy: 0.9958499950748283 Energy: 0.9313155626526671 Energy: 0.9099286403537516 Energy: 0.9181427671716869 Energy: 0.9099286403552571 Energy: 0.9181427671716869 Energy: 0.9099286403552571 Energy: 0.9181427671709341 Energy: 0.9100615418180344 Energy: 0.872154747717971 Energy: 0.9100615418180344 Energy: 0.872154747717971 Energy: 0.9100615418180344 Energy: 0.872154747717971 Energy: 0.842248210282997 Energy: 0.9131326488077957 Energy: 0.8422482102837497 Energy: 0.9131326488085487 Energy: 0.842248210282997 Energy: 0.9131326488077957 Energy: 0.9142615857946873 Energy: 0.8700553293797821 Energy: 0.9142615857946873 Energy: 0.8700553293805349 Energy: 0.9142615857946873 Energy: 0.8700553293797821 Energy: 0.8469627175018695 Energy: 0.9707757837264713 Energy: 0.8469627175033752 Energy: 0.9707757837257184 Energy: 0.8469627175026224 Energy: 0.9707757837249655 Energy: 0.9441979859962261 Energy: 0.9359089395990523 Energy: 0.9441979859962261 Energy: 0.9359089395990523 Energy: 0.9441979859969789 Energy: 0.9359089395990523 Energy: 0.8229722442812465 Energy: 0.9764103865423669 Energy: 0.8229722442804936 Energy: 0.9764103865423669 Energy: 0.8229722442804936 Energy: 0.9764103865423669 minimum gb energy = 0.8117058050275902 eV minimum distance = 2.28233872757218 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 0.9377380865977019 Energy: 0.9339887997170513 Energy: 0.9377380865972736 Energy: 0.9339887997179076 Energy: 0.9377380865972736 Energy: 0.9339887997174793 Energy: 0.9119222494354344 Energy: 0.8687011835325903 Energy: 0.911922249436719 Energy: 0.8687011835325903 Energy: 0.9119222494358626 Energy: 0.8687011835325903 Energy: 0.805608018217306 Energy: 0.866320163813603 Energy: 0.805608018217306 Energy: 0.8663201638127466 Energy: 0.8056080182168779 Energy: 0.8663201638127466 Energy: 0.9092332825161458 Energy: 0.9282850092476925 Energy: 0.9092332825152892 Energy: 0.9282850092481207 Energy: 0.9092332825157174 Energy: 0.9282850092476925 Energy: 0.8670365201776942 Energy: 0.9076974534782533 Energy: 0.8670365201781222 Energy: 0.9076974534782533 Energy: 0.8670365201776942 Energy: 0.9076974534773968 Energy: 0.86718449283499 Energy: 0.8030335835694985 Energy: 0.867184492835418 Energy: 0.8030335835690703 Energy: 0.86718449283499 Energy: 0.8030335835699267 Energy: 0.9319808842863416 Energy: 0.9303272379072964 Energy: 0.9319808842859135 Energy: 0.9303272379077246 Energy: 0.9319808842867698 Energy: 0.9303272379072964 Energy: 0.8023203577419101 Energy: 0.9284952953198593 Energy: 0.8023203577419101 Energy: 0.9284952953194311 Energy: 0.8023203577410537 Energy: 0.9284952953198593 Energy: 0.839437337882629 Energy: 0.8069382416238836 Energy: 0.8394373378834854 Energy: 0.8069382416243116 Energy: 0.8394373378809161 Energy: 0.8069382416243116 Energy: 0.8031143315748719 Energy: 0.922394498495917 Energy: 0.8031143315744437 Energy: 0.922394498496345 Energy: 0.8031143315753 Energy: 0.9223944984967732 Energy: 0.9048973995132293 Energy: 0.7988802736937215 Energy: 0.9048973995136573 Energy: 0.7988802736937215 Energy: 0.9048973995140857 Energy: 0.7988802736937215 Energy: 0.8049678755256172 Energy: 0.8388979079231769 Energy: 0.804967875525189 Energy: 0.8388979079223203 Energy: 0.804967875525189 Energy: 0.8388979079231769 Energy: 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0.8034668892200217 Energy: 0.8708929228816173 Energy: 0.8864318875876261 Energy: 0.8688361401077023 Energy: 0.8864318875876261 Energy: 0.8688361401072741 Energy: 0.8864318875884827 Energy: 0.8688361401072741 Energy: 0.9342684019868681 Energy: 0.9339047674372041 Energy: 0.9342684019864399 Energy: 0.933904767436776 Energy: 0.9342684019864399 Energy: 0.9339047674372041 Energy: 0.9284652310204511 Energy: 0.8002929072992675 Energy: 0.9284652310200229 Energy: 0.8002929072988393 Energy: 0.9284652310200229 Energy: 0.8002929072996958 Energy: 0.8049939164931751 Energy: 0.8379420333328421 Energy: 0.8049939164931751 Energy: 0.8379420333324139 Energy: 0.8049939164936034 Energy: 0.8379420333328421 minimum gb energy = 0.7988802736937215 eV minimum distance = 2.38371192153891 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 0.9371975136512743 Energy: 0.9419094695244802 Energy: 0.9371975136512743 Energy: 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0.8860420215145516 Energy: 0.9096022824701085 Energy: 0.8746436557980749 Energy: 0.9096022824711006 Energy: 0.8746436557990672 Energy: 0.9096022824711006 Energy: 0.8746436557980749 Energy: 0.9167480818972847 Energy: 0.9197677360911461 Energy: 0.9167480818972847 Energy: 0.9197677360901539 Energy: 0.9167480818972847 Energy: 0.9197677360901539 Energy: 0.9201694449947188 Energy: 0.9206926528797647 Energy: 0.9201694449947188 Energy: 0.9206926528797647 Energy: 0.9201694449947188 Energy: 0.9206926528797647 Energy: 0.9194543468305926 Energy: 0.9447818927447135 Energy: 0.9194543468315849 Energy: 0.9447818927447135 Energy: 0.9194543468305926 Energy: 0.9447818927437215 Energy: 0.9061490534863044 Energy: 0.912074132868531 Energy: 0.9061490534872966 Energy: 0.912074132868531 Energy: 0.9061490534872966 Energy: 0.912074132868531 minimum gb energy = 0.8261897012334003 eV minimum distance = 2.26504918460029 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 0.7987548840373954 Energy: 0.8070442426526105 Energy: 0.7987548840373954 Energy: 0.8070442426531724 Energy: 0.7987548840373954 Energy: 0.8070442426526105 Energy: 0.8200950187479401 Energy: 0.8601124383910599 Energy: 0.8200950187479401 Energy: 0.8601124383916483 Energy: 0.8200950187479401 Energy: 0.8601124383910599 Energy: 0.7674133872213458 Energy: 0.8598301435726938 Energy: 0.7674133872213458 Energy: 0.8598301435732825 Energy: 0.7674133872207574 Energy: 0.8598301435726938 Energy: 0.8394295681199302 Energy: 0.7671587868641431 Energy: 0.8394295681199302 Energy: 0.7671587868635547 Energy: 0.8394295681193416 Energy: 0.7671587868635547 Energy: 0.7851007711357745 Energy: 0.7964942740371846 Energy: 0.7851007711357745 Energy: 0.7964942740377731 Energy: 0.7851007711357745 Energy: 0.7964942740371846 Energy: 0.7852230628007373 Energy: 0.7961683821892942 Energy: 0.7852230628001489 Energy: 0.7961683821892942 Energy: 0.7852230627995603 Energy: 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0.8394295681193416 Energy: 0.7671587868629661 Energy: 0.8394295681199302 Energy: 0.7671587868641431 Energy: 0.8394295681193416 Energy: 0.7671587868641431 Energy: 0.7851007711363631 Energy: 0.7964942740377731 Energy: 0.7851007711357745 Energy: 0.7964942740371846 Energy: 0.7851007711357745 Energy: 0.7964942740365961 Energy: 0.7852230627995603 Energy: 0.7961683821892942 Energy: 0.7852230628001489 Energy: 0.7961683821887058 Energy: 0.7852230627995603 Energy: 0.7961683821892942 Energy: 0.8394279647478122 Energy: 0.7671491230007937 Energy: 0.8394279647472237 Energy: 0.7671491230002052 Energy: 0.8394279647478122 Energy: 0.7671491230007937 Energy: 0.7674030766926511 Energy: 0.8597841159170058 Energy: 0.7674030766926511 Energy: 0.8597841159152404 Energy: 0.7674030766920626 Energy: 0.8597841159193598 Energy: 0.8212427966195797 Energy: 0.8601267930174679 Energy: 0.8212427966195797 Energy: 0.8601267930180565 Energy: 0.8212427966195797 Energy: 0.8601267930174679 Energy: 0.7987548840373954 Energy: 0.8070442426526105 Energy: 0.7987548840373954 Energy: 0.8070442426526105 Energy: 0.7987548840373954 Energy: 0.8070442426526105 Energy: 0.8200950187479401 Energy: 0.8601124383922369 Energy: 0.8200950187479401 Energy: 0.8601124383922369 Energy: 0.8200950187479401 Energy: 0.8601124383922369 Energy: 0.7674133872207574 Energy: 0.8598301435726938 Energy: 0.7674133872207574 Energy: 0.8598301435721054 Energy: 0.7674133872207574 Energy: 0.8598301435726938 Energy: 0.8394295681199302 Energy: 0.7671587868641431 Energy: 0.8394295681193416 Energy: 0.7671587868641431 Energy: 0.8394295681193416 Energy: 0.7671587868635547 Energy: 0.7851007711357745 Energy: 0.7964942740371846 Energy: 0.7851007711363631 Energy: 0.7964942740371846 Energy: 0.7851007711357745 Energy: 0.7964942740365961 Energy: 0.7852230628001489 Energy: 0.7961683821892942 Energy: 0.7852230627995603 Energy: 0.7961683821898827 Energy: 0.7852230628001489 Energy: 0.7961683821892942 Energy: 0.8394279647478122 Energy: 0.7671491230002052 Energy: 0.8394279647478122 Energy: 0.7671491230002052 Energy: 0.8394279647484006 Energy: 0.7671491230007937 Energy: 0.7674030766926511 Energy: 0.8597841159193598 Energy: 0.7674030766920626 Energy: 0.8597841159199482 Energy: 0.767403076691474 Energy: 0.8597841159193598 Energy: 0.8212427966195797 Energy: 0.8601267930168794 Energy: 0.8212427966201682 Energy: 0.8601267930174679 Energy: 0.8212427966195797 Energy: 0.8601267930174679 Energy: 0.798754884036807 Energy: 0.8070442426520221 Energy: 0.7987548840373954 Energy: 0.8070442426526105 Energy: 0.7987548840373954 Energy: 0.8070442426526105 Energy: 0.8200950187485285 Energy: 0.8601124383922369 Energy: 0.8200950187485285 Energy: 0.8601124383916483 Energy: 0.8200950187479401 Energy: 0.8601124383922369 Energy: 0.7674133872207574 Energy: 0.8598301435715169 Energy: 0.7674133872213458 Energy: 0.8598301435732825 Energy: 0.7674133872213458 Energy: 0.8598301435721054 minimum gb energy = 0.7671491230002052 eV minimum distance = 2.3704563836083 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 0.7601444757307794 Energy: 0.7362414751743195 Energy: 0.7601444757322208 Energy: 0.7362414751743195 Energy: 0.7601444757322208 Energy: 0.7362414751743195 Energy: 1.0101935018803454 Energy: 0.6963254254245801 Energy: 1.010193501878904 Energy: 0.6963254254245801 Energy: 1.010193501878904 Energy: 0.6963254254245801 Energy: 0.7588357925379365 Energy: 0.824603549567372 Energy: 0.7588357925379365 Energy: 0.8246035495659305 Energy: 0.7588357925379365 Energy: 0.8246035495716967 Energy: 0.9765006543285777 Energy: 0.7167690753714097 Energy: 0.9765006543285777 Energy: 0.7167690753728512 Energy: 0.9765006543285777 Energy: 0.7167690753728512 Energy: 0.8001580754166864 Energy: 0.7165416895958232 Energy: 0.8001580754166864 Energy: 0.7165416895972319 Energy: 0.8001580754166864 Energy: 0.7165416895972319 Energy: 0.8366807457084083 Energy: 0.880493317966037 Energy: 0.8366807457084083 Energy: 0.880493317966037 Energy: 0.8366807457084083 Energy: 0.880493317966037 Energy: 0.7167932260890633 Energy: 0.7627403351179656 Energy: 0.7167932260905047 Energy: 0.7627403351179656 Energy: 0.7167932260905047 Energy: 0.7627403351194071 Energy: 0.7541869366253818 Energy: 0.7395799798750196 Energy: 0.7541869366253818 Energy: 0.7395799798750196 Energy: 0.7541869366253818 Energy: 0.7395799798750196 Energy: 0.8359234747645171 Energy: 0.7592884784421987 Energy: 0.8359234747659586 Energy: 0.7592884784436401 Energy: 0.8359234747645171 Energy: 0.7592884784465231 Energy: 0.7935047698640956 Energy: 0.8510211884955227 Energy: 0.7935047698640956 Energy: 0.8510211884955227 Energy: 0.7935047698640956 Energy: 0.8510211884955227 Energy: 0.7370189333562324 Energy: 0.7176015132974498 Energy: 0.7370189333562324 Energy: 0.7176015132974498 Energy: 0.7370189333562324 Energy: 0.7176015132988912 Energy: 0.8603740455454936 Energy: 0.8164368182129728 Energy: 0.8603740455440521 Energy: 0.8164368182129728 Energy: 0.860374045541169 Energy: 0.8164368182129728 minimum gb energy = 0.6963254254245801 eV minimum distance = 2.26468149211685 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 0.7183182190596733 Energy: 0.8590997157026083 Energy: 0.7183182190600784 Energy: 0.8590997157026083 Energy: 0.7183182190604833 Energy: 0.8590997157034184 Energy: 0.7723038390928172 Energy: 0.7354505278879451 Energy: 0.7723038390948423 Energy: 0.7354505278879451 Energy: 0.7723038390940323 Energy: 0.7354505278883502 Energy: 0.6407421182141182 Energy: 0.8049275287684066 Energy: 0.6407421182133081 Energy: 0.8049275287680014 Energy: 0.6407421182137131 Energy: 0.8049275287684066 Energy: 0.6473162627846094 Energy: 0.6314439915780813 Energy: 0.6473162627854194 Energy: 0.6314439915780813 Energy: 0.6473162627854194 Energy: 0.6314439915784863 Energy: 0.6768782461072347 Energy: 0.7572233560840903 Energy: 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0.7767577487522165 Energy: 0.6313111657240055 Energy: 0.6496885242320057 Energy: 0.6612218418057249 Energy: 0.6496885242316007 Energy: 0.6612218418057249 Energy: 0.6496885242316007 Energy: 0.6612218418057249 Energy: 0.6150159186625034 Energy: 0.9643070957316006 Energy: 0.6150159186620984 Energy: 0.9643070957320056 Energy: 0.6150159186629084 Energy: 0.9643070957324107 Energy: 0.7278776238253553 Energy: 0.6118022543766507 Energy: 0.7278776238245452 Energy: 0.6118022543762456 Energy: 0.7278776238249502 Energy: 0.6118022543758407 Energy: 0.6149741803247747 Energy: 0.7785797903188837 Energy: 0.6149741803243696 Energy: 0.7785797903200987 Energy: 0.6149741803251796 Energy: 0.7785797903164535 Energy: 0.6496374056721952 Energy: 0.6610912616182489 Energy: 0.6496374056717902 Energy: 0.6610912616182489 Energy: 0.6496374056717902 Energy: 0.6610912616182489 Energy: 0.7764162719316228 Energy: 0.6313388860595692 Energy: 0.7764162719312176 Energy: 0.6313388860595692 Energy: 0.7764162719320278 Energy: 0.6313388860591642 Energy: 0.581040487854391 Energy: 0.6653746719017524 Energy: 0.581040487854391 Energy: 0.6653746719033723 Energy: 0.581040487854796 Energy: 0.6653746719029674 Energy: 0.6437614376608659 Energy: 0.7722490706154503 Energy: 0.6437614376616758 Energy: 0.7722490706150453 Energy: 0.6437614376616758 Energy: 0.7722490706150453 Energy: 0.714056820629646 Energy: 0.6666757647877086 Energy: 0.7140568206308612 Energy: 0.6666757647868986 Energy: 0.714056820628836 Energy: 0.6666757647881137 Energy: 0.684997927003622 Energy: 0.6724866549522306 Energy: 0.6849979270060522 Energy: 0.6724866549518255 Energy: 0.6849979270060522 Energy: 0.6724866549522306 Energy: 0.6559126453682848 Energy: 0.641066494357238 Energy: 0.6559126453678797 Energy: 0.6410664943568328 Energy: 0.6559126453699048 Energy: 0.6410664943568328 Energy: 0.6486967670299 Energy: 0.6377519094805786 Energy: 0.6486967670299 Energy: 0.6377519094801736 Energy: 0.6486967670299 Energy: 0.6377519094805786 Energy: 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0.6314863905932523 Energy: 0.647340364173113 Energy: 0.6314863905916321 Energy: 0.647340364172303 Energy: 0.6314863905920372 Energy: 0.6406715510820095 Energy: 0.8050009497534094 Energy: 0.6406715510824146 Energy: 0.8050009497538145 Energy: 0.6406715510824146 Energy: 0.8050009497550296 Energy: 0.7724508756842782 Energy: 0.6419352456544732 Energy: 0.7724508756850881 Energy: 0.6419352456556884 Energy: 0.7724508756854932 Energy: 0.6419352456528533 Energy: 0.7183182190608884 Energy: 0.8590997157026083 Energy: 0.7183182190604833 Energy: 0.8590997157026083 Energy: 0.7183182190604833 Energy: 0.8590997157017982 Energy: 0.7723038390924121 Energy: 0.5993034054130986 Energy: 0.7723038390944373 Energy: 0.5993034054130986 Energy: 0.7723038390928172 Energy: 0.5993034054126934 Energy: 0.6407421182129031 Energy: 0.8049275287688116 Energy: 0.6407421182129031 Energy: 0.8049275287675964 Energy: 0.6407421182137131 Energy: 0.8049275287688116 Energy: 0.6473162627842043 Energy: 0.6314439915776763 Energy: 0.6473162627842043 Energy: 0.6314439915776763 Energy: 0.6473162627842043 Energy: 0.6314439915772713 Energy: 0.6768782461064246 Energy: 0.75722335608247 Energy: 0.6768782461084497 Energy: 0.7572233560828752 Energy: 0.6768782461064246 Energy: 0.7572233560828752 minimum gb energy = 0.581040487854391 eV minimum distance = 2.35406603036562 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 0.5886509611503317 Energy: 0.5532893974130711 Energy: 0.27989558832710365 Energy: 0.5532893974130711 Energy: 0.5886509611494097 Energy: 0.5532893974139931 Energy: 0.6401440664429195 Energy: 0.5449350463513872 Energy: 0.6401440664429195 Energy: 0.5449444779409871 Energy: 0.6401440664429195 Energy: 0.5449350463523092 Energy: 0.5872955898778046 Energy: 0.8031547298294829 Energy: 0.5872955898787265 Energy: 0.6389868068109944 Energy: 0.5872955898787265 Energy: 0.8031547298294829 Energy: 0.5545756992017046 Energy: 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Energy: 0.3193532357212044 Energy: 1.2360877403223183 Energy: 0.31935323572212637 Energy: 1.2360877403213963 Energy: 0.36410349704369604 Energy: 0.5452231976106007 Energy: 0.36410349704277406 Energy: 0.5452231976124445 Energy: 0.3641034970446181 Energy: 0.5452231976115226 Energy: 0.5886509611512536 Energy: 0.5532893974130711 Energy: 0.27989558832710365 Energy: 0.5532893974130711 Energy: 0.5886509611503317 Energy: 0.5532893974139931 Energy: 0.6401440664429195 Energy: 0.5449350463523092 Energy: 0.6401440664429195 Energy: 0.5449444779419091 Energy: 0.6401440664438415 Energy: 0.5449350463523092 Energy: 0.5872955898778046 Energy: 0.803154729830405 Energy: 0.5872955898778046 Energy: 0.6389868068128384 Energy: 0.5872955898778046 Energy: 0.803154729828561 Energy: 0.5545756992007825 Energy: 0.385857310868387 Energy: 0.5545756992007825 Energy: 0.3858786068778347 Energy: 0.5545756992007825 Energy: 0.38585731086746494 Energy: 0.3646435926727695 Energy: 0.6467334290423165 Energy: 0.36464359267369156 Energy: 0.6467334290432384 Energy: 0.36464359267369156 Energy: 0.6467334290423165 Energy: 0.492276824532498 Energy: 0.5848770748638975 Energy: 0.2799083825604801 Energy: 0.5848770748629755 Energy: 0.492276824532498 Energy: 0.5848770748638975 Energy: 0.4921902347241244 Energy: 0.318943390170441 Energy: 0.2799272866177011 Energy: 0.318943390170441 Energy: 0.4921902347241244 Energy: 0.318943390170441 Energy: 0.6397416419572435 Energy: 0.36860955091774356 Energy: 0.6397416419572435 Energy: 0.36860955091774356 Energy: 0.6397416419581654 Energy: 0.36860955091682157 minimum gb energy = 0.27989558832710365 eV minimum distance = 2.43635795391896 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 0.6072360521465755 Energy: 0.734184046744843 Energy: 0.6072360521459 Energy: 0.7341840467441677 Energy: 0.6072360521472508 Energy: 0.7341840467441677 Energy: 0.739432112549276 Energy: 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0.6821777428293205 minimum gb energy = 0.49909382918040923 eV minimum distance = 2.34689389825304 Angstroms sigma value = 41 ======================================== theta = 58.99241699313286 ======================================== Energy: 0.6875816846556154 Energy: 0.580929515441277 Energy: 0.6875816846556154 Energy: 0.580929515441277 Energy: 0.6875816846556154 Energy: 0.580929515441277 Energy: 0.7899210899486188 Energy: 0.7558908992692523 Energy: 0.7899210899486188 Energy: 0.75589089926872 Energy: 0.789921089949151 Energy: 0.75589089926872 Energy: 0.6705754991824823 Energy: 0.7230291611010967 Energy: 0.67057549918195 Energy: 0.7230291611010967 Energy: 0.6705754991824823 Energy: 0.7230291611010967 Energy: 0.7651910247538883 Energy: 0.577815358643474 Energy: 0.765191024753356 Energy: 0.577815358643474 Energy: 0.7651910247538883 Energy: 0.577815358643474 Energy: 0.5609072073080201 Energy: 0.6061076927822977 Energy: 0.5609072073080201 Energy: 0.6061076927822977 Energy: 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0.7434808911817603 Energy: 0.5434119002990235 Energy: 0.7434808911790987 Energy: 0.5434119002990235 Energy: 0.743480891181228 Energy: 0.5453460292742615 Energy: 0.9045821827008605 Energy: 0.5453460292742615 Energy: 0.9045821827008605 Energy: 0.5453460292742615 Energy: 0.9045821827008605 Energy: 0.5898112975551828 Energy: 0.6660085815937632 Energy: 0.5898112975551828 Energy: 0.6660085815926985 Energy: 0.5898112975557152 Energy: 0.6660085815926985 Energy: 0.5640702257043844 Energy: 0.5740756213946995 Energy: 0.5640702257038519 Energy: 0.5740756213946995 Energy: 0.5640702257043844 Energy: 0.5740756213952318 Energy: 0.5686516968609728 Energy: 0.7349390367477718 Energy: 0.5686516968609728 Energy: 0.7349390367477718 Energy: 0.5686516968604405 Energy: 0.7349390367477718 Energy: 0.6494639425782095 Energy: 0.7658777830519705 Energy: 0.6494639425787417 Energy: 0.7658777830525028 Energy: 0.6494639425782095 Energy: 0.7658777830519705 Energy: 0.7059211126764835 Energy: 0.6712829169175656 Energy: 0.705921112675951 Energy: 0.6712829169138393 Energy: 0.7059211126764835 Energy: 0.6712829169175656 Energy: 0.5550249492839842 Energy: 0.7344722278352375 Energy: 0.5550249492839842 Energy: 0.7344722278352375 Energy: 0.5550249492845164 Energy: 0.7344722278352375 Energy: 0.5759564661916606 Energy: 0.5912601573769927 Energy: 0.5759564661905959 Energy: 0.5912601573769927 Energy: 0.5759564661911283 Energy: 0.5912601573769927 Energy: 0.5449097516883297 Energy: 0.7415105116783504 Energy: 0.5449097516877974 Energy: 0.7415105116783504 Energy: 0.5449097516883297 Energy: 0.7415105116783504 minimum gb energy = 0.5422848642214007 eV minimum distance = 2.38361069041513 Angstroms sigma value = 33 ======================================== theta = 62.439396894736774 ======================================== Energy: 0.7009881621990509 Energy: 0.6653558567411734 Energy: 0.665552439828864 Energy: 0.6653558567407998 Energy: 0.7009881621994246 Energy: 0.6653558567422602 Energy: 0.9565770840290936 Energy: 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Energy: 0.7239956325160599 Energy: 0.8392346699712452 Energy: 0.7239956325156894 Energy: 0.8392346699708747 Energy: 0.7239956325163689 Energy: 0.7605368526446777 Energy: 0.7005268595406065 Energy: 0.760536852645728 Energy: 0.7005268595402976 Energy: 0.7605368526464075 Energy: 0.7005268595402976 Energy: 0.8028799485546287 Energy: 0.8751696440097191 Energy: 0.8028799485559878 Energy: 0.8751696440080511 Energy: 0.8028799485549992 Energy: 0.8751696440094101 Energy: 0.7988559639209851 Energy: 0.7320907482518845 Energy: 0.7988559639206763 Energy: 0.7320907482559617 Energy: 0.7988559639223441 Energy: 0.7320907482535525 Energy: 0.744687017562868 Energy: 0.7533460637968968 Energy: 0.7446870175655244 Energy: 0.7533460637924488 Energy: 0.7446870175618179 Energy: 0.7533460637962174 Energy: 0.7073342717297968 Energy: 0.7719763369045904 Energy: 0.7073342717294261 Energy: 0.7719763368987834 Energy: 0.7073342717294261 Energy: 0.7719763368984746 Energy: 0.7716403490374121 Energy: 0.8738983774234211 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0.8552116387695464 Energy: 0.7635890551942354 Energy: 0.7328937402626429 Energy: 0.7181144202001896 Energy: 0.7328937402620701 Energy: 0.718114420199044 Energy: 0.7328937402626429 Energy: 0.7181144202007623 Energy: 0.8622801955207221 Energy: 0.7628117405293747 Energy: 0.8622801955201493 Energy: 0.7628117405293747 Energy: 0.8622801955212949 Energy: 0.7628117405293747 Energy: 0.7480259811513708 Energy: 0.7964616173413008 Energy: 0.7480259811507979 Energy: 0.7964616173413008 Energy: 0.7480259811513708 Energy: 0.7964616173413008 Energy: 0.7783978536772942 Energy: 0.8103168537735438 Energy: 0.7783978536767214 Energy: 0.8103168537746893 Energy: 0.7783978536772942 Energy: 0.8103168537758351 Energy: 0.8179631926121931 Energy: 0.7706165887192041 Energy: 0.8179631926121931 Energy: 0.7706165887192041 Energy: 0.8179631926121931 Energy: 0.7706165887186314 minimum gb energy = 0.7019500083854663 eV minimum distance = 2.33137236099078 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 0.8304249381803607 Energy: 0.729021798019175 Energy: 0.8304249381811023 Energy: 0.729021798019175 Energy: 0.8304249381803607 Energy: 0.729021798019175 Energy: 0.7722282036688378 Energy: 0.6963143225526377 Energy: 0.7722282036688378 Energy: 0.6963143225526377 Energy: 0.7722282036688378 Energy: 0.6963143225526377 Energy: 0.7525585110102767 Energy: 0.8716213077263413 Energy: 0.7525585110139849 Energy: 0.8716213077255996 Energy: 0.75255851101176 Energy: 0.8716213077255996 Energy: 0.770376491202326 Energy: 0.7789104979156157 Energy: 0.7703764912015842 Energy: 0.778910497917099 Energy: 0.7703764912015842 Energy: 0.7789104979163574 Energy: 0.9181207264633796 Energy: 0.8062890975756264 Energy: 0.9181207264633796 Energy: 0.8062890975748848 Energy: 0.9181207264633796 Energy: 0.8062890975748848 Energy: 0.7544725347800887 Energy: 0.7809401519182916 Energy: 0.7544725347800887 Energy: 0.7809401519182916 Energy: 0.7544725347800887 Energy: 0.7809401519182916 Energy: 0.8022292620308711 Energy: 0.8248428369517785 Energy: 0.8022292620308711 Energy: 0.8248428369517785 Energy: 0.8022292620301295 Energy: 0.8248428369517785 Energy: 0.769442878138451 Energy: 0.8042882485612501 Energy: 0.7694428781414178 Energy: 0.8042882485612501 Energy: 0.7694428781414178 Energy: 0.8042882485612501 Energy: 0.8417825178876135 Energy: 0.6970517838918765 Energy: 0.8417825178876135 Energy: 0.6970517838926181 Energy: 0.8417825178876135 Energy: 0.6970517838918765 Energy: 0.6941507282283597 Energy: 0.7804827461794799 Energy: 0.6941507282283597 Energy: 0.7804827461794799 Energy: 0.6941507282283597 Energy: 0.7804827461802215 Energy: 0.8009468615157909 Energy: 0.7781586355921041 Energy: 0.8009468615150491 Energy: 0.7781586355913623 Energy: 0.8009468615157909 Energy: 0.7781586355913623 Energy: 0.8529963961438981 Energy: 0.8891578165224465 Energy: 0.8529963961438981 Energy: 0.8891578165224465 Energy: 0.8529963961438981 Energy: 0.8891578165224465 Energy: 0.7778182465079791 Energy: 0.6968883305487629 Energy: 0.7778182465079791 Energy: 0.6968883305480212 Energy: 0.7778182465079791 Energy: 0.6968883305487629 Energy: 0.8445564898327942 Energy: 0.7022345566593309 Energy: 0.8445564898327942 Energy: 0.7022345566585892 Energy: 0.8445564898327942 Energy: 0.7022345566585892 Energy: 0.7952086210778343 Energy: 0.7000731374841243 Energy: 0.7952086210785759 Energy: 0.7000731374841243 Energy: 0.7952086210770927 Energy: 0.7000731374841243 Energy: 0.8406217181140725 Energy: 0.8980582245251246 Energy: 0.8406217181140725 Energy: 0.8980582245251246 Energy: 0.8406217181133309 Energy: 0.8980582245251246 Energy: 0.6940660260637211 Energy: 0.7734720646853005 Energy: 0.6940660260637211 Energy: 0.7734720646853005 Energy: 0.6940660260637211 Energy: 0.7734720646853005 Energy: 0.8006175256951054 Energy: 0.7764177877096756 Energy: 0.8006175256951054 Energy: 0.7764177877104173 Energy: 0.8006175256951054 Energy: 0.7764177877104173 Energy: 0.6942331492881395 Energy: 0.7725819566915944 Energy: 0.6942331492873979 Energy: 0.7725819566915944 Energy: 0.6942331492873979 Energy: 0.7725819566915944 Energy: 0.8405999224889884 Energy: 0.898239099101706 Energy: 0.8405999224889884 Energy: 0.898239099101706 Energy: 0.8405999224882468 Energy: 0.898239099101706 Energy: 0.7952226974743979 Energy: 0.6999822478923501 Energy: 0.7952226974743979 Energy: 0.6999822478938333 Energy: 0.7952226974743979 Energy: 0.6999822478930917 Energy: 0.8445536310038 Energy: 0.7291022932858194 Energy: 0.8445536310038 Energy: 0.7291022932850778 Energy: 0.8445536310045416 Energy: 0.7291022932850778 Energy: 0.7779988946937357 Energy: 0.6968719044397698 Energy: 0.7779988946937357 Energy: 0.6968719044397698 Energy: 0.7779988946937357 Energy: 0.6968719044397698 Energy: 0.8529546430158005 Energy: 0.8891765581019779 Energy: 0.8529546430158005 Energy: 0.8891765581019779 Energy: 0.8529546430150587 Energy: 0.8891765581019779 minimum gb energy = 0.6940660260637211 eV minimum distance = 2.29905685064242 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 0.9893259002249527 Energy: 0.7179612793230271 Energy: 0.9893259002249527 Energy: 0.7179612793230271 Energy: 0.9893259002249527 Energy: 0.7179612793230271 Energy: 0.7997917584234087 Energy: 0.689442277141308 Energy: 0.7997917584223599 Energy: 0.689442277141308 Energy: 0.7997917584223599 Energy: 0.689442277141308 Energy: 0.8091614523849843 Energy: 0.8082105145039769 Energy: 0.8091614523849843 Energy: 0.8082105145039769 Energy: 0.8091614523849843 Energy: 0.8082105145039769 Energy: 0.893141072752714 Energy: 0.7800471121176061 Energy: 0.893141072752714 Energy: 0.7800471121176061 Energy: 0.8931410727537629 Energy: 0.7800471121176061 Energy: 0.8767278161933127 Energy: 0.8932347591479033 Energy: 0.8767278161933127 Energy: 0.8932347591479033 Energy: 0.8767278161933127 Energy: 0.8932347591479033 Energy: 0.7312949286325906 Energy: 0.7740661368935299 Energy: 0.7312949286325906 Energy: 0.7740661368935299 Energy: 0.7312949286325906 Energy: 0.7740661368935299 Energy: 0.7368359991126041 Energy: 0.681842578070032 Energy: 0.7368359991126041 Energy: 0.681842578070032 Energy: 0.7368359991126041 Energy: 0.681842578070032 Energy: 0.8933071458063532 Energy: 0.8720495847321506 Energy: 0.8933071458063532 Energy: 0.8720495847321506 Energy: 0.893307145807402 Energy: 0.8720495847331994 Energy: 0.749895094634759 Energy: 0.8219203029143317 Energy: 0.749895094634759 Energy: 0.8219203029143317 Energy: 0.7498950946358078 Energy: 0.8219203029143317 Energy: 0.7221741223018779 Energy: 0.6908738684630393 Energy: 0.7221741223018779 Energy: 0.6908738684630393 Energy: 0.7221741223018779 Energy: 0.6908738684630393 Energy: 0.7193043161545806 Energy: 0.7824988686013039 Energy: 0.7193043161545806 Energy: 0.7824988686013039 Energy: 0.7193043161545806 Energy: 0.7824988686013039 Energy: 0.8428484686040439 Energy: 0.8223465641866368 Energy: 0.8428484686029951 Energy: 0.8223465641876856 Energy: 0.8428484686040439 Energy: 0.8223465641876856 Energy: 0.6511135016841069 Energy: 0.7718019942877368 Energy: 0.6511135016851557 Energy: 0.7718019942877368 Energy: 0.6511135016851557 Energy: 0.7718019942866879 Energy: 0.7309985550825799 Energy: 0.781314637270133 Energy: 0.7309985550825799 Energy: 0.781314637270133 Energy: 0.7309985550825799 Energy: 0.781314637270133 Energy: 0.7299115817553099 Energy: 0.8755273720893091 Energy: 0.7299115817553099 Energy: 0.8755273720903581 Energy: 0.729911581754261 Energy: 0.8755273720893091 Energy: 0.7300349964698183 Energy: 0.9782066212917343 Energy: 0.7300349964698183 Energy: 0.9782066212917343 Energy: 0.7300349964687696 Energy: 0.9782066212906855 Energy: 0.7324316061323288 Energy: 0.7829117074367454 Energy: 0.7324316061333777 Energy: 0.7829117074377943 Energy: 0.7324316061333777 Energy: 0.7829117074367454 minimum gb energy = 0.6511135016841069 eV minimum distance = 2.34872528444662 Angstroms sigma value = 17 ======================================== theta = 97.054131382119 ======================================== Energy: 0.9560743222451512 Energy: 0.6498990047496862 Energy: 0.9560743222455563 Energy: 0.6498990047496862 Energy: 0.9560743222459612 Energy: 0.6498990047496862 Energy: 0.7746724768364917 Energy: 0.6810196645020384 Energy: 0.7746724768360866 Energy: 0.6810196644996083 Energy: 0.7746724768364917 Energy: 0.6810196645024436 Energy: 0.7149159462306256 Energy: 0.683672849515018 Energy: 0.7149159462302206 Energy: 0.6836728495154231 Energy: 0.7149159462310306 Energy: 0.6836728495158282 Energy: 0.7585106421581382 Energy: 0.6870550181624204 Energy: 0.7585106421605684 Energy: 0.6870550181628255 Energy: 0.7585106421528729 Energy: 0.6870550181620154 Energy: 0.9222868397028532 Energy: 0.6334727525181577 Energy: 0.9222868397036632 Energy: 0.6334727525161326 Energy: 0.9222868397024482 Energy: 0.6334727525153225 Energy: 0.6963132580708677 Energy: 0.659235504659109 Energy: 0.6963132580708677 Energy: 0.659235504659514 Energy: 0.6963132580708677 Energy: 0.659235504658704 Energy: 0.6590793583658299 Energy: 0.6622155191274438 Energy: 0.6590793583662349 Energy: 0.6622155191274438 Energy: 0.6590793583650197 Energy: 0.6622155191274438 Energy: 0.8330994019939297 Energy: 0.8167400689251956 Energy: 0.8330994019939297 Energy: 0.8167400689251956 Energy: 0.8330994019939297 Energy: 0.8167400689251956 Energy: 0.6780216186161 Energy: 0.6917801653536407 Energy: 0.6780216186148849 Energy: 0.6917801653528307 Energy: 0.6780216186144798 Energy: 0.6917801653544509 Energy: 0.6572807045565293 Energy: 0.5986914900806083 Energy: 0.6572807045565293 Energy: 0.5986914900806083 Energy: 0.6572807045573394 Energy: 0.5986914900814184 Energy: 0.7557246848690427 Energy: 0.7826580525949863 Energy: 0.7557246848674594 Energy: 0.7826580525953915 Energy: 0.7557246848686376 Energy: 0.7826580525953915 Energy: 0.7152114067531185 Energy: 0.7883294849658049 Energy: 0.7152114067539285 Energy: 0.7883294849658049 Energy: 0.7152114067539285 Energy: 0.7883294849658049 Energy: 0.6682672434831215 Energy: 0.6725044104883062 Energy: 0.6682672434835265 Energy: 0.6725044104891161 Energy: 0.6682672434823114 Energy: 0.6725044104887111 Energy: 0.6724492917583844 Energy: 0.7332673627996095 Energy: 0.6724492917587894 Energy: 0.7332673627996095 Energy: 0.6724492917587894 Energy: 0.7332673628000145 Energy: 0.6858120477139202 Energy: 0.7894566358628334 Energy: 0.6858120477139202 Energy: 0.7894566358656687 Energy: 0.6858120477135152 Energy: 0.7894566358624285 Energy: 0.6107964032125957 Energy: 0.767250828121214 Energy: 0.6107964032134058 Energy: 0.7672508281204039 Energy: 0.6107964032134058 Energy: 0.767250828121214 Energy: 0.6720847401971127 Energy: 0.6869038490558996 Energy: 0.6720847401963026 Energy: 0.6869038490563046 Energy: 0.6720847401967076 Energy: 0.6869038490563046 Energy: 0.7012958496829157 Energy: 0.8383269576411165 Energy: 0.7012958496817006 Energy: 0.8383269576407113 Energy: 0.7012958496833208 Energy: 0.8383269576411165 Energy: 0.6717771075232564 Energy: 0.9316070062679125 Energy: 0.6717771075256865 Energy: 0.9316070062683174 Energy: 0.6717771075248764 Energy: 0.9316070062683174 Energy: 0.6711485533395644 Energy: 0.6583983522921123 Energy: 0.6711485533391593 Energy: 0.6583983522921123 Energy: 0.6711485533379442 Energy: 0.6583983522929222 Energy: 0.6717938889524733 Energy: 0.9318291244429285 Energy: 0.6717938889528783 Energy: 0.9318291244429285 Energy: 0.6717938889524733 Energy: 0.9318291244433335 Energy: 0.7013775623690072 Energy: 0.8383288920959989 Energy: 0.701377562368602 Energy: 0.8383288920959989 Energy: 0.701377562368197 Energy: 0.8383288920959989 Energy: 0.672030908997317 Energy: 0.6868623215681634 Energy: 0.672030908996912 Energy: 0.6868623215681634 Energy: 0.672030908996912 Energy: 0.6868623215677584 Energy: 0.6107659462256675 Energy: 0.8088740056505215 Energy: 0.6107659462252625 Energy: 0.8088740056505215 Energy: 0.6107659462252625 Energy: 0.8088740056501164 Energy: 0.6856756222744671 Energy: 0.7906172721380945 Energy: 0.685675622273657 Energy: 0.7906172721384995 Energy: 0.685675622273657 Energy: 0.7906172721380945 Energy: 0.6724675332311602 Energy: 0.7333108152464679 Energy: 0.6724675332311602 Energy: 0.7333108152460629 Energy: 0.6724675332303501 Energy: 0.7333108152468729 Energy: 0.6681805038935211 Energy: 0.6726726701598977 Energy: 0.6681805038943311 Energy: 0.6726726701607079 Energy: 0.668180503893116 Energy: 0.6726726701619229 Energy: 0.7149805976945386 Energy: 0.7882863525074184 Energy: 0.7149805976945386 Energy: 0.7882863525082285 Energy: 0.7149805976949436 Energy: 0.7882863525053933 Energy: 0.756079079332857 Energy: 0.7824834573898628 Energy: 0.7560790793332621 Energy: 0.7824834573898628 Energy: 0.756079079332452 Energy: 0.7824834573898628 Energy: 0.6573541084186835 Energy: 0.7273340959115786 Energy: 0.6573541084186835 Energy: 0.7273340959119836 Energy: 0.6573541084182785 Energy: 0.7273340959123887 Energy: 0.677942679218933 Energy: 0.69176406431983 Energy: 0.6779426792205531 Energy: 0.69176406431983 Energy: 0.6779426792201481 Energy: 0.691764064320235 Energy: 0.8331188171865263 Energy: 0.8165925515925304 Energy: 0.8331188171869314 Energy: 0.8165925515925304 Energy: 0.8331188171865263 Energy: 0.8165925515925304 Energy: 0.6589219069887321 Energy: 0.6623904962686961 Energy: 0.6589219069899472 Energy: 0.6623904962691012 Energy: 0.6589219069887321 Energy: 0.6623904962695062 Energy: 0.6963349500077467 Energy: 0.6441611813308064 Energy: 0.6963349500085567 Energy: 0.6441611813312114 Energy: 0.6963349500077467 Energy: 0.6441611813312114 Energy: 0.9223104002465708 Energy: 0.6331942833900263 Energy: 0.9223104002465708 Energy: 0.6331942833904312 Energy: 0.9223104002461657 Energy: 0.6331942833908363 Energy: 0.7573850099778974 Energy: 0.6876823335452686 Energy: 0.7573850099783024 Energy: 0.6876823335460788 Energy: 0.7573850099778974 Energy: 0.6876823335456738 Energy: 0.7148624367326617 Energy: 0.6834223993015438 Energy: 0.7148624367322568 Energy: 0.6834223993011387 Energy: 0.7148624367326617 Energy: 0.6834223993015438 Energy: 0.7747183109208214 Energy: 0.6429041560894421 Energy: 0.7747183109204164 Energy: 0.6429041560890371 Energy: 0.7747183109200114 Energy: 0.6429041560894421 Energy: 0.9560743222443411 Energy: 0.6498990047504962 Energy: 0.956074322242721 Energy: 0.6498990047504962 Energy: 0.9560743222447462 Energy: 0.6498990047500913 Energy: 0.7746724768373018 Energy: 0.6368946959748606 Energy: 0.7746724768364917 Energy: 0.6368946959744556 Energy: 0.7746724768364917 Energy: 0.6368946959748606 Energy: 0.7149159462294473 Energy: 0.6836728495109679 Energy: 0.7149159462290422 Energy: 0.6836728495117779 Energy: 0.7149159462286372 Energy: 0.683672849512588 Energy: 0.7585106421589483 Energy: 0.6870550181624204 Energy: 0.7585106421650238 Energy: 0.6870550181624204 Energy: 0.7585106421609734 Energy: 0.6870550181628255 Energy: 0.9222868397028532 Energy: 0.6334727525149175 Energy: 0.9222868397028532 Energy: 0.6334727525169427 Energy: 0.9222868397020431 Energy: 0.6334727525149175 minimum gb energy = 0.5986914900806083 eV minimum distance = 2.35434232634809 Angstroms sigma value = 57 ======================================== theta = 99.36891557845483 ======================================== Energy: 0.916633518627187 Energy: 0.6015362193963927 Energy: 0.9166335186265275 Energy: 0.6015362194003496 Energy: 0.9166335186265275 Energy: 0.6015362193983711 Energy: 0.701377146082797 Energy: 0.5930466343588806 Energy: 0.7013771460841159 Energy: 0.5930466343582212 Energy: 0.7013771460834565 Energy: 0.5930466343575618 Energy: 0.6903026085224456 Energy: 0.6796248870775846 Energy: 0.6903026085224456 Energy: 0.6796248870775846 Energy: 0.6903026085224456 Energy: 0.6796248870782442 Energy: 0.8032154061128269 Energy: 0.6590425760267639 Energy: 0.8032154061134864 Energy: 0.6590425760267639 Energy: 0.8032154061134864 Energy: 0.6590425760267639 Energy: 0.8382538779914422 Energy: 0.5617508378906901 Energy: 0.8382538779914422 Energy: 0.5617508378900307 Energy: 0.8382538779914422 Energy: 0.5617508378887117 Energy: 0.6562705489827642 Energy: 0.5927054139919391 Energy: 0.6562705489834237 Energy: 0.5927054139912796 Energy: 0.6562705489834237 Energy: 0.5927054139912796 Energy: 0.6971014431882119 Energy: 0.6373544846724194 Energy: 0.6971014431908498 Energy: 0.6373544846717599 Energy: 0.6971014431882119 Energy: 0.6373544846717599 Energy: 0.7570490721694596 Energy: 0.7444206328369738 Energy: 0.7570490721701192 Energy: 0.7444206328363144 Energy: 0.7570490721701192 Energy: 0.7444206328376333 Energy: 0.7112588239010258 Energy: 0.5940449698782403 Energy: 0.7112588239016853 Energy: 0.5940449698782403 Energy: 0.7112588239010258 Energy: 0.5940449698782403 Energy: 0.6066766373774828 Energy: 0.6111198053180437 Energy: 0.6066766373761638 Energy: 0.6111198053180437 Energy: 0.6066766373761638 Energy: 0.6111198053180437 Energy: 0.7714494654358374 Energy: 0.7653381055149516 Energy: 0.7714494654358374 Energy: 0.7653381055156111 Energy: 0.7714494654351779 Energy: 0.7653381055149516 Energy: 0.6269238805122477 Energy: 0.6684650531903364 Energy: 0.6269238805129073 Energy: 0.6684650531890175 Energy: 0.6269238805129073 Energy: 0.668465053189677 Energy: 0.6048084537998047 Energy: 0.695268174428191 Energy: 0.6048084538004642 Energy: 0.6952681744288505 Energy: 0.6048084537998047 Energy: 0.695268174428191 Energy: 0.6051644994316563 Energy: 0.7262988123088147 Energy: 0.6051644994323159 Energy: 0.7262988123094741 Energy: 0.6051644994303373 Energy: 0.7262988123088147 Energy: 0.6577924917947835 Energy: 0.8271680406337419 Energy: 0.6577924917947835 Energy: 0.827168040632423 Energy: 0.6577924917947835 Energy: 0.827168040632423 Energy: 0.6197804669159075 Energy: 0.6801793725335253 Energy: 0.6197804669159075 Energy: 0.6801793725335253 Energy: 0.6197804669159075 Energy: 0.6801793725348443 Energy: 0.6162926623226629 Energy: 0.6829591286617258 Energy: 0.6162926623239819 Energy: 0.6829591286623853 Energy: 0.6162926623220034 Energy: 0.6829591286623853 Energy: 0.7083438038582354 Energy: 0.7544198020016375 Energy: 0.7083438038575758 Energy: 0.7544198020016375 Energy: 0.7083438038575758 Energy: 0.7544198020016375 Energy: 0.6027814274821631 Energy: 0.7170717676269531 Energy: 0.6027814274821631 Energy: 0.7170717676282721 Energy: 0.6027814274815037 Energy: 0.7170717676276126 Energy: 0.6040614592009338 Energy: 0.655161743387181 Energy: 0.6040614591996148 Energy: 0.655161743387181 Energy: 0.6040614591996148 Energy: 0.6551617433865216 Energy: 0.647841821599623 Energy: 0.8075360847415458 Energy: 0.647841821599623 Energy: 0.8075360847428649 Energy: 0.647841821599623 Energy: 0.8075360847422053 Energy: 0.5650564958468846 Energy: 0.8484146890269827 Energy: 0.5650564958462251 Energy: 0.8484146890269827 Energy: 0.5650564958468846 Energy: 0.8484146890276422 Energy: 0.6204498803147095 Energy: 0.6269121377788778 Energy: 0.6204498803147095 Energy: 0.6269121377788778 Energy: 0.62044988031405 Energy: 0.6269121377788778 Energy: 0.6164555385665023 Energy: 0.718772552826975 Energy: 0.6164555385665023 Energy: 0.7187725528263156 Energy: 0.6164555385658428 Energy: 0.718772552826975 Energy: 0.6211200562310651 Energy: 0.7667883532631509 Energy: 0.6211200562310651 Energy: 0.7667883532631509 Energy: 0.6211200562310651 Energy: 0.7667883532631509 Energy: 0.6032811437645695 Energy: 0.6266109578211814 Energy: 0.6032811437645695 Energy: 0.6266109578211814 Energy: 0.6032811437632506 Energy: 0.6266109578211814 Energy: 0.5745437666660186 Energy: 0.7184307928839395 Energy: 0.5745437666666781 Energy: 0.7184307928826206 Energy: 0.5745437666666781 Energy: 0.7184307928839395 minimum gb energy = 0.5617508378887117 eV minimum distance = 2.32742221953005 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 0.7340707207924286 Energy: 0.5408146909528769 Energy: 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0.5827815339746052 Energy: 0.6784151997625435 Energy: 0.6788602522537615 Energy: 0.6784151997625435 Energy: 0.6788602522537615 Energy: 0.678415199763024 Energy: 0.6788602522537615 Energy: 0.5714216818772174 Energy: 0.7655561563250206 Energy: 0.5714216818767369 Energy: 0.7655561563250206 Energy: 0.5714216818772174 Energy: 0.76555615632454 Energy: 0.6152846074061392 Energy: 0.6181425372387258 Energy: 0.6152846074056587 Energy: 0.6181425372387258 Energy: 0.6152846074037367 Energy: 0.6181425372387258 Energy: 0.6209809397627923 Energy: 0.5869857152393216 Energy: 0.6209809397627923 Energy: 0.5869857152393216 Energy: 0.6209809397632728 Energy: 0.5869857152393216 Energy: 0.6070011688618865 Energy: 0.7655610026044886 Energy: 0.6070011688618865 Energy: 0.765561002603047 Energy: 0.607001168861406 Energy: 0.7655610026054496 Energy: 0.5808986188079067 Energy: 0.6203913680856743 Energy: 0.5808986188079067 Energy: 0.6203913680866353 Energy: 0.5808986188079067 Energy: 0.6203913680861548 Energy: 0.5046798149415994 Energy: 0.5726728232264681 Energy: 0.5046798149425604 Energy: 0.5726728232259876 Energy: 0.5046798149415994 Energy: 0.5726728232264681 Energy: 0.5663395834052978 Energy: 0.6696753679709687 Energy: 0.5663395834052978 Energy: 0.6696753679714493 Energy: 0.5663395834052978 Energy: 0.6696753679714493 Energy: 0.5639812151388379 Energy: 0.5748902183057628 Energy: 0.5639812151393184 Energy: 0.5748902183062433 Energy: 0.5639812151388379 Energy: 0.5748902183062433 Energy: 0.5186867965893459 Energy: 0.5373008308208331 Energy: 0.5186867965888654 Energy: 0.5373008308208331 Energy: 0.5186867965893459 Energy: 0.5373008308203526 Energy: 0.6007226854457854 Energy: 0.6862987642088043 Energy: 0.6007226854457854 Energy: 0.6862987642088043 Energy: 0.6007226854457854 Energy: 0.6862987642088043 Energy: 0.5565297756374978 Energy: 0.6984960594031582 Energy: 0.5565297756374978 Energy: 0.6984960594031582 Energy: 0.5565297756389395 Energy: 0.6984960594031582 Energy: 0.5192982031532097 Energy: 0.5184127928254553 Energy: 0.5192982031536902 Energy: 0.5184127928254553 Energy: 0.5192982031536902 Energy: 0.5184127928259358 Energy: 0.5068745991831515 Energy: 0.6431149760232501 Energy: 0.506874599183632 Energy: 0.6431149760227695 Energy: 0.506874599182671 Energy: 0.643114976022289 Energy: 0.6370061765405975 Energy: 0.6759441806930704 Energy: 0.6370061765410782 Energy: 0.6759441806930704 Energy: 0.6370061765405975 Energy: 0.6759441806930704 Energy: 0.5208000734875412 Energy: 0.5803010050805202 Energy: 0.5208000734875412 Energy: 0.5803010050800396 Energy: 0.5208000734870606 Energy: 0.5803010050800396 Energy: 0.4695416539607156 Energy: 0.5781595475379306 Energy: 0.4695416539597546 Energy: 0.5781595475379306 Energy: 0.4695416539607156 Energy: 0.5781595475379306 minimum gb energy = 0.4695416539597546 eV minimum distance = 2.32841065082372 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.050409623085066614 Energy: 0.08097353530791696 Energy: 0.050409623085066614 Energy: 0.08097353530791696 Energy: 0.050409623085066614 Energy: 0.08097353530791696 Energy: 0.3945857661560777 Energy: 0.05132651130550006 Energy: 0.3945857661560777 Energy: 0.05132651134080995 Energy: 0.3945857661560777 Energy: 0.05132651134434094 Energy: 0.3945855305513012 Energy: 0.051358199038387786 Energy: 0.3945855305513012 Energy: 0.05135819901543636 Energy: 0.3945855305513012 Energy: 0.051358199020732846 Energy: 0.050409623085066614 Energy: 0.08097353530791696 Energy: 0.050409623085066614 Energy: 0.08097353530791696 Energy: 0.050409623085066614 Energy: 0.08097353530791696 Energy: 0.3945857661560777 Energy: 0.051326511061982175 Energy: 0.3945857661560777 Energy: 0.05132651106551317 Energy: 0.3945857661560777 Energy: 0.05132651106727866 Energy: 0.3945855305513012 Energy: 0.051358198768387486 Energy: 0.3945855305513012 Energy: 0.051358198766621996 Energy: 0.3945855305513012 Energy: 0.051358198754263534 Energy: 0.050409623085066614 Energy: 0.08097353530791696 Energy: 0.050409623085066614 Energy: 0.08097353530791696 Energy: 0.050409623085066614 Energy: 0.08097353530791696 Energy: 0.3945857661560777 Energy: 0.05132651051845058 Energy: 0.3945857661560777 Energy: 0.05132651040726454 Energy: 0.3945857661560777 Energy: 0.05132651044608536 Energy: 0.3945855305513012 Energy: 0.05135819852661504 Energy: 0.3945855305513012 Energy: 0.0513581985495464 Energy: 0.3945855305513012 Energy: 0.05135819854424992 Energy: 0.050409623085066614 Energy: 0.08097353530791696 Energy: 0.050409623085066614 Energy: 0.08097353530791696 Energy: 0.050409623085066614 Energy: 0.08097353530791696 minimum gb energy = 0.050409623085066614 eV minimum distance = 2.5360510302788 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 0.63067927256373 Energy: 0.5419235029459728 Energy: 0.63067927256373 Energy: 0.5419235029459728 Energy: 0.6306792725642584 Energy: 0.5419235029459728 Energy: 0.5294229130664877 Energy: 0.5687552285527825 Energy: 0.5294229130659595 Energy: 0.5687552285522542 Energy: 0.529422913065431 Energy: 0.5687552285522542 Energy: 0.5481217932819888 Energy: 0.5699393908847715 Energy: 0.5481217932819888 Energy: 0.5699393908852999 Energy: 0.5481217932830454 Energy: 0.5699393908852999 Energy: 0.595690166444507 Energy: 0.5253329443091146 Energy: 0.5956901664439788 Energy: 0.5253329443091146 Energy: 0.595690166444507 Energy: 0.5253329443091146 Energy: 0.4526772210243077 Energy: 0.5518693568413214 Energy: 0.4526772210243077 Energy: 0.5518693568418498 Energy: 0.4526772210243077 Energy: 0.5518693568423781 Energy: 0.5462193862972321 Energy: 0.5626790612320802 Energy: 0.5462193862967036 Energy: 0.5626790612310236 Energy: 0.5462193862961754 Energy: 0.5626790612320802 Energy: 0.5739700938832251 Energy: 0.5169503408795886 Energy: 0.5739700938832251 Energy: 0.5169503408795886 Energy: 0.5739700938837534 Energy: 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Energy: 0.4946012878009742 Energy: 0.5750026610558017 Energy: 0.4946012980856227 Energy: 0.5750026610558017 Energy: 0.4946012873410155 Energy: 0.57500266105633 Energy: 0.558252987001282 Energy: 0.5576670217500993 Energy: 0.558252987001282 Energy: 0.5576670217500993 Energy: 0.558252987001282 Energy: 0.5576670217506278 Energy: 0.5679434925499848 Energy: 0.44990281064338394 Energy: 0.5679434925494563 Energy: 0.44990281064338394 Energy: 0.5679434925499848 Energy: 0.44990281064338394 Energy: 0.5335971210538293 Energy: 0.5912363761305336 Energy: 0.5335971210538293 Energy: 0.5912363761305336 Energy: 0.5335971210538293 Energy: 0.5912363761305336 Energy: 0.5663044641128542 Energy: 0.5403902000885034 Energy: 0.5663044641123259 Energy: 0.5403902000890318 Energy: 0.5663044641128542 Energy: 0.5403902000890318 Energy: 0.5677552419840932 Energy: 0.5199372186550463 Energy: 0.5677552419840932 Energy: 0.5199372186550463 Energy: 0.5677552419846216 Energy: 0.5199372186550463 Energy: 0.531755347855292 Energy: 0.6232575728095845 Energy: 0.531755347855292 Energy: 0.6232575728101127 Energy: 0.5317553478558202 Energy: 0.6232575728090561 Energy: 0.5782070277163806 Energy: 0.5340944660674416 Energy: 0.5782070277163806 Energy: 0.5340944660669132 Energy: 0.5782070277163806 Energy: 0.5340944660669132 Energy: 0.5822053838923485 Energy: 0.5283131552805429 Energy: 0.5822053838928768 Energy: 0.5283131552810713 Energy: 0.5822053838923485 Energy: 0.5283131552800145 Energy: 0.5232227012250807 Energy: 0.6236669537868861 Energy: 0.5232227012234958 Energy: 0.6236669537868861 Energy: 0.5232227012245524 Energy: 0.6236669537868861 Energy: 0.5462437872812413 Energy: 0.5191508149005225 Energy: 0.5462437872801847 Energy: 0.519150814899994 Energy: 0.5462437872801847 Energy: 0.5191508149005225 Energy: 0.5684821887912603 Energy: 0.5468807960570076 Energy: 0.5684821887917887 Energy: 0.5468807960570076 Energy: 0.5684821887917887 Energy: 0.5468807960564792 Energy: 0.5088827861028266 Energy: 0.5706859506645342 Energy: 0.5088827861028266 Energy: 0.5706859506645342 Energy: 0.5088827861033549 Energy: 0.5706859506645342 Energy: 0.54395181950336 Energy: 0.45549556308894634 Energy: 0.5439518195028317 Energy: 0.45549556308841804 Energy: 0.54395181950336 Energy: 0.45549556308841804 Energy: 0.5593098285507366 Energy: 0.5557383918510375 Energy: 0.5593098285507366 Energy: 0.5557383918510375 Energy: 0.5593098285507366 Energy: 0.5557383918510375 Energy: 0.49378490118633894 Energy: 0.5688092078226611 Energy: 0.49378490118633894 Energy: 0.5688092078216045 Energy: 0.49378490118633894 Energy: 0.5688092078221328 Energy: 0.5537219749243705 Energy: 0.486679255724623 Energy: 0.5537219749248987 Energy: 0.486679255724623 Energy: 0.5537219749248987 Energy: 0.4866792557251513 Energy: 0.5852244082334441 Energy: 0.5531383671324779 Energy: 0.5852244082329158 Energy: 0.5531383671324779 Energy: 0.5852244082334441 Energy: 0.5531383671324779 Energy: 0.4818603819947203 Energy: 0.5629480424742851 Energy: 0.4818603819947203 Energy: 0.5629480424748134 Energy: 0.4818603819952486 Energy: 0.5629480424742851 Energy: 0.5674497371009549 Energy: 0.5539110594630383 Energy: 0.5674497371009549 Energy: 0.55391105946251 Energy: 0.5674497371009549 Energy: 0.5539110594630383 minimum gb energy = 0.44990281064338394 eV minimum distance = 2.39058555843143 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 0.7420151383332857 Energy: 0.6399942121906559 Energy: 0.7420151383332857 Energy: 0.639994212189903 Energy: 0.7420151383332857 Energy: 0.639994212189903 Energy: 0.6483961879073192 Energy: 0.7003137266185181 Energy: 0.6483961879073192 Energy: 0.7003137266185181 Energy: 0.6483961879080721 Energy: 0.7003137266185181 Energy: 0.6834720146620255 Energy: 0.6993989942186623 Energy: 0.6834720146620255 Energy: 0.6993989942179095 Energy: 0.6834720146627783 Energy: 0.6993989942186623 Energy: 0.7131269069291328 Energy: 0.6292227946256734 Energy: 0.7131269069298856 Energy: 0.6292227946158868 Energy: 0.7131269069291328 Energy: 0.6292227946173925 Energy: 0.5682667085195787 Energy: 0.636297071629159 Energy: 0.5682667085195787 Energy: 0.6362970716284063 Energy: 0.5682667085195787 Energy: 0.636297071629159 Energy: 0.6810187164077122 Energy: 0.6906490422672661 Energy: 0.6810187164077122 Energy: 0.6906490422672661 Energy: 0.6810187164077122 Energy: 0.6906490422672661 Energy: 0.6413234234885591 Energy: 0.619426120513149 Energy: 0.6413234234878062 Energy: 0.619426120513149 Energy: 0.6413234234885591 Energy: 0.619426120513149 Energy: 0.6204961264949959 Energy: 0.6290485624246119 Energy: 0.6204961264957486 Energy: 0.6290485624246119 Energy: 0.6204961264949959 Energy: 0.6290485624246119 Energy: 0.7033132710055137 Energy: 0.7173059645243786 Energy: 0.7033132710055137 Energy: 0.7173059645243786 Energy: 0.7033132710055137 Energy: 0.7173059645243786 Energy: 0.6829183747166574 Energy: 0.5810647117047084 Energy: 0.6829183747166574 Energy: 0.5810647117047084 Energy: 0.6829183747166574 Energy: 0.5810647117047084 Energy: 0.6858273686939919 Energy: 0.6948721907760207 Energy: 0.6858273686947447 Energy: 0.6948721907760207 Energy: 0.6858273686939919 Energy: 0.6948721907752677 Energy: 0.6826904450159325 Energy: 0.6749483044345537 Energy: 0.6826904450159325 Energy: 0.6749483044345537 Energy: 0.6826904450151796 Energy: 0.6749483044345537 Energy: 0.6818265055558741 Energy: 0.7442645870883414 Energy: 0.6818265055558741 Energy: 0.7442645870883414 Energy: 0.6818265055558741 Energy: 0.7442645870875885 Energy: 0.6661140678697444 Energy: 0.7142533320842499 Energy: 0.6661140678704972 Energy: 0.7142533320842499 Energy: 0.6661140678697444 Energy: 0.7142533320834972 Energy: 0.6527691864260937 Energy: 0.6475544700049974 Energy: 0.6527691864268464 Energy: 0.6475544700049974 Energy: 0.6527691864275992 Energy: 0.6475544700049974 Energy: 0.712963395272187 Energy: 0.6584148598343157 Energy: 0.712963395272187 Energy: 0.6584148598343157 Energy: 0.7129633952729398 Energy: 0.6584148598343157 Energy: 0.6425066349482856 Energy: 0.7694448638314546 Energy: 0.6425066349475328 Energy: 0.7694448638314546 Energy: 0.6425066349482856 Energy: 0.7694448638314546 Energy: 0.6668248855387201 Energy: 0.6343314641188396 Energy: 0.6668248855394728 Energy: 0.6343314641195923 Energy: 0.6668248855394728 Energy: 0.6343314641188396 Energy: 0.7388283754336923 Energy: 0.6860663401482139 Energy: 0.7388283754336923 Energy: 0.6860663401482139 Energy: 0.7388283754336923 Energy: 0.6860663401482139 Energy: 0.5723818471100303 Energy: 0.7004471401083304 Energy: 0.5723818471153 Energy: 0.7004471401083304 Energy: 0.5723818471122887 Energy: 0.7004471401083304 Energy: 0.7021474208524908 Energy: 0.6390917243349699 Energy: 0.7021474208524908 Energy: 0.6390917243349699 Energy: 0.7021474208524908 Energy: 0.6390917243349699 Energy: 0.7122880688837143 Energy: 0.7184701138314945 Energy: 0.7122880688837143 Energy: 0.7184701138307417 Energy: 0.7122880688837143 Energy: 0.7184701138307417 Energy: 0.5757203729819627 Energy: 0.6995203755162438 Energy: 0.5757203729812098 Energy: 0.6995203755162438 Energy: 0.5757203729819627 Energy: 0.6995203755162438 minimum gb energy = 0.5682667085195787 eV minimum distance = 2.38372659533136 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 0.8279530681702294 Energy: 0.702531598911112 Energy: 0.8279530681707068 Energy: 0.702531598911112 Energy: 0.8279530681707068 Energy: 0.7025315989115897 Energy: 0.7279187746744189 Energy: 0.7755332702634101 Energy: 0.7279187746744189 Energy: 0.7755332702629326 Energy: 0.7279187746748965 Energy: 0.775533270262455 Energy: 0.7726954080455962 Energy: 0.7744805225162404 Energy: 0.7726954080451186 Energy: 0.7744805225162404 Energy: 0.7726954080455962 Energy: 0.7744805225162404 Energy: 0.788397559165673 Energy: 0.7105935370259158 Energy: 0.7883975591651955 Energy: 0.7105935370249606 Energy: 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0.6596688188508065 Energy: 0.7751323335255189 Energy: 0.659668818851284 Energy: 0.7751323335250413 Energy: 0.6596688188503289 Energy: 0.7751323335255189 Energy: 0.7898816125927903 Energy: 0.8052363763533618 Energy: 0.7898816125923127 Energy: 0.8052363763533618 Energy: 0.7898816125927903 Energy: 0.8052363763533618 Energy: 0.7291770327682932 Energy: 0.830267061223516 Energy: 0.7291770327687708 Energy: 0.830267061223516 Energy: 0.7291770327682932 Energy: 0.8302670612230384 Energy: 0.7031614517379645 Energy: 0.775942866091665 Energy: 0.7031614517384421 Energy: 0.7759428660921425 Energy: 0.703161451737487 Energy: 0.7759428660926201 Energy: 0.786815997859418 Energy: 0.7686790854146988 Energy: 0.786815997859418 Energy: 0.7686790854142213 Energy: 0.7868159978589405 Energy: 0.7686790854142213 Energy: 0.7515563427706943 Energy: 0.7143127049930252 Energy: 0.7515563427706943 Energy: 0.7143127049930252 Energy: 0.7515563427711719 Energy: 0.7143127049930252 Energy: 0.7085056589107008 Energy: 0.7920005339710297 Energy: 0.7085056589102233 Energy: 0.7920005339710297 Energy: 0.7085056589102233 Energy: 0.7920005339710297 Energy: 0.8151375580573667 Energy: 0.7255174336888065 Energy: 0.8151375580568893 Energy: 0.7255174336888065 Energy: 0.8151375580568893 Energy: 0.7255174336888065 Energy: 0.7293327211164463 Energy: 0.7295164942742577 Energy: 0.7293327211164463 Energy: 0.7295164942747353 Energy: 0.7293327211169239 Energy: 0.7295164942747353 Energy: 0.7282868542471429 Energy: 0.7884413610717036 Energy: 0.7282868542466653 Energy: 0.7884413610717036 Energy: 0.7282868542466653 Energy: 0.788441361071226 Energy: 0.7280585818400885 Energy: 0.6491488236040983 Energy: 0.7280585818405662 Energy: 0.6491488236040983 Energy: 0.7280585818415213 Energy: 0.6491488236040983 Energy: 0.7848314628881965 Energy: 0.8057015593199129 Energy: 0.7848314628877189 Energy: 0.8057015593199129 Energy: 0.7848314628877189 Energy: 0.8057015593194353 Energy: 0.7028460221545167 Energy: 0.7901508411854867 Energy: 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0.7746340234991848 Energy: 0.7251885452861206 Energy: 0.7746340234991848 Energy: 0.8290108374392545 Energy: 0.7043679788265426 Energy: 0.8290108374397321 Energy: 0.7043679788265426 Energy: 0.8290108374392545 Energy: 0.7043679788265426 Energy: 0.7283399817648233 Energy: 0.7464064214113726 Energy: 0.7283399817648233 Energy: 0.7464064214113726 Energy: 0.7283399817643457 Energy: 0.7464064214113726 minimum gb energy = 0.6491488236040983 eV minimum distance = 2.33977663722461 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.9464023018474521 Energy: 0.8325837587413816 Energy: 0.9464023018474521 Energy: 0.8325837587413816 Energy: 0.9464023018474521 Energy: 0.8325837587413816 Energy: 0.8238084053022464 Energy: 0.8763487787740926 Energy: 0.8238084053022464 Energy: 0.8763487787753964 Energy: 0.8238084053022464 Energy: 0.8763487787753964 Energy: 0.9322066659251632 Energy: 0.8716923976549144 Energy: 0.9322066659264671 Energy: 0.8716923976549144 Energy: 0.9322066659251632 Energy: 0.8716923976549144 Energy: 0.9501112784777737 Energy: 0.8319225956316667 Energy: 0.9501112784777737 Energy: 0.8319225956316667 Energy: 0.9501112784777737 Energy: 0.8319225956316667 Energy: 0.8054518717860072 Energy: 0.9096622351328436 Energy: 0.8054518717860072 Energy: 0.9096622351328436 Energy: 0.8054518717860072 Energy: 0.9096622351328436 Energy: 0.9569634609777015 Energy: 0.8816595895072968 Energy: 0.9569634609763975 Energy: 0.881659589505993 Energy: 0.9569634609763975 Energy: 0.8816595895072968 Energy: 0.9081959010286997 Energy: 0.8377264642979622 Energy: 0.9081959010273958 Energy: 0.8377264642979622 Energy: 0.9081959010286997 Energy: 0.8377264642979622 Energy: 0.8930576413401486 Energy: 0.8977481521717177 Energy: 0.8930576413401486 Energy: 0.8977481521717177 Energy: 0.8930576413401486 Energy: 0.8977481521717177 Energy: 0.8250261034042904 Energy: 0.8529600894549347 Energy: 0.8250261034042904 Energy: 0.8529600894549347 Energy: 0.8250261034042904 Energy: 0.8529600894549347 Energy: 0.9299362863488683 Energy: 0.8435715757879818 Energy: 0.9299362863475644 Energy: 0.8435715757879818 Energy: 0.9299362863475644 Energy: 0.843571575789256 Energy: 0.8250969757288541 Energy: 0.8714469954330428 Energy: 0.8250969757275501 Energy: 0.8714469954330428 Energy: 0.8250969757275501 Energy: 0.8714469954330428 Energy: 0.8669615411047927 Energy: 0.885632453365889 Energy: 0.8669615411047927 Energy: 0.885632453365889 Energy: 0.8669615411047927 Energy: 0.885632453365889 Energy: 0.8947511886108421 Energy: 0.8782676387380759 Energy: 0.8947511886108421 Energy: 0.8782676387380759 Energy: 0.8947511886108421 Energy: 0.8782676387380759 Energy: 0.8059561983039971 Energy: 0.8983777884029499 Energy: 0.8059561983039971 Energy: 0.8983777884029499 Energy: 0.8059561983039971 Energy: 0.8983777884029499 minimum gb energy = 0.8054518717860072 eV minimum distance = 2.28518714782549 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 1.0161907619459576 Energy: 0.9456169226987248 Energy: 1.0161907619459576 Energy: 0.9456169226987248 Energy: 1.0161907619459576 Energy: 0.9456169226987248 Energy: 0.8898905142878601 Energy: 0.9459064518873461 Energy: 0.8898905142872874 Energy: 0.9459064518873461 Energy: 0.8898905142878601 Energy: 0.9459064518867732 Energy: 0.9733771393957223 Energy: 0.9482596395895613 Energy: 0.9733771393957223 Energy: 0.9482596395895613 Energy: 0.9733771393957223 Energy: 0.9482596395895613 Energy: 0.9667526711966374 Energy: 0.8748000550452286 Energy: 0.9667526711966374 Energy: 0.8748000550446559 Energy: 0.9667526711960647 Energy: 0.8748000550452286 Energy: 0.9584395100048667 Energy: 0.9190745017606329 Energy: 0.9584395100054395 Energy: 0.9190745017612056 Energy: 0.9584395100054395 Energy: 0.9190745017612056 Energy: 0.9141671206708882 Energy: 0.9569233130798026 Energy: 0.914167120671461 Energy: 0.9569233130798026 Energy: 0.914167120671461 Energy: 0.9569233130803754 Energy: 0.9566186274493852 Energy: 0.904391246429185 Energy: 0.956618627449958 Energy: 0.9043912464297578 Energy: 0.956618627449958 Energy: 0.9043912464297578 Energy: 0.907922092529434 Energy: 0.9554429503972824 Energy: 0.9079220925288612 Energy: 0.9554429503967097 Energy: 0.9079220925282885 Energy: 0.9554429503972824 Energy: 0.9289007749009304 Energy: 0.9397812826743563 Energy: 0.9289007749015034 Energy: 0.9397812826743563 Energy: 0.9289007749009304 Energy: 0.9397812826743563 Energy: 0.9248210646120744 Energy: 0.9079766252099921 Energy: 0.9248210646120744 Energy: 0.9079766252099921 Energy: 0.9248210646120744 Energy: 0.9079766252094194 Energy: 0.9100857849443655 Energy: 0.9481575328059666 Energy: 0.9100857849449385 Energy: 0.9481575328059666 Energy: 0.9100857849449385 Energy: 0.9481575328059666 Energy: 0.9482649728521259 Energy: 0.959381378645248 Energy: 0.9482649728526986 Energy: 0.959381378645248 Energy: 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0.9319832639979417 Energy: 0.9400898722347957 Energy: 0.9319832639979417 Energy: 0.9400898722347957 Energy: 0.931983263997369 Energy: 0.9400898722347957 Energy: 0.8836370612743082 Energy: 0.9464413960514323 Energy: 0.8836370612737354 Energy: 0.9464413960514323 Energy: 0.8836370612743082 Energy: 0.9464413960514323 Energy: 0.9358794855567812 Energy: 0.9748510438793594 Energy: 0.9358794855567812 Energy: 0.9748510438793594 Energy: 0.935879485557354 Energy: 0.9748510438793594 Energy: 0.9692148882798478 Energy: 0.9114856616054279 Energy: 0.9692148882798478 Energy: 0.9114856616060008 Energy: 0.9692148882798478 Energy: 0.9114856616060008 Energy: 0.9255059148599099 Energy: 0.9870539542210901 Energy: 0.9255059148599099 Energy: 0.9870539542210901 Energy: 0.9255059148599099 Energy: 0.9870539542210901 Energy: 0.9186840612074081 Energy: 0.8828368619755007 Energy: 0.9186840612074081 Energy: 0.8828368619749279 Energy: 0.9186840612074081 Energy: 0.8828368619749279 Energy: 0.9234002861523077 Energy: 0.9698872566565448 Energy: 0.9234002861523077 Energy: 0.9698872566565448 Energy: 0.9234002861523077 Energy: 0.9698872566565448 minimum gb energy = 0.8748000550446559 eV minimum distance = 2.27654094453666 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 0.8719467865183399 Energy: 0.8470940749699625 Energy: 0.8719467865183399 Energy: 0.8470940749699625 Energy: 0.8719467865183399 Energy: 0.8470940749699625 Energy: 0.8725108962716259 Energy: 0.8514376542864482 Energy: 0.8725108962716259 Energy: 0.8514376542864482 Energy: 0.8725108962716259 Energy: 0.8514376542864482 Energy: 0.914568845955971 Energy: 0.8861932956292302 Energy: 0.914568845955971 Energy: 0.886193295628211 Energy: 0.914568845955971 Energy: 0.886193295628211 Energy: 0.8829035247680683 Energy: 0.8755798838901966 Energy: 0.8829035247680683 Energy: 0.8755798838901966 Energy: 0.8829035247680683 Energy: 0.8755798838891773 Energy: 0.9145678512028081 Energy: 0.8862041040934178 Energy: 0.9145678512028081 Energy: 0.8862041040934178 Energy: 0.9145678512028081 Energy: 0.8862041040934178 Energy: 0.8721230410755664 Energy: 0.8516332189613116 Energy: 0.8721230410745471 Energy: 0.8516332189623311 Energy: 0.8721230410755664 Energy: 0.8516332189613116 Energy: 0.8719467865173206 Energy: 0.8470940749699625 Energy: 0.8719467865183399 Energy: 0.8470940749699625 Energy: 0.8719467865183399 Energy: 0.8470940749699625 Energy: 0.8725108962716259 Energy: 0.8514376542864482 Energy: 0.8725108962716259 Energy: 0.851437654285429 Energy: 0.8725108962726451 Energy: 0.8514376542864482 Energy: 0.914568845955971 Energy: 0.8861932956292302 Energy: 0.914568845955971 Energy: 0.8861932956302497 Energy: 0.9145688459569904 Energy: 0.8861932956302497 Energy: 0.8829035247680683 Energy: 0.8796989328614733 Energy: 0.8829035247680683 Energy: 0.8796989328614733 Energy: 0.8829035247680683 Energy: 0.8796989328614733 Energy: 0.9145678512028081 Energy: 0.8862041040934178 Energy: 0.9145678512028081 Energy: 0.8862041040934178 Energy: 0.9145678512028081 Energy: 0.8862041040934178 Energy: 0.8721230410755664 Energy: 0.8516332189613116 Energy: 0.8721230410745471 Energy: 0.8516332189613116 Energy: 0.8721230410755664 Energy: 0.8516332189613116 Energy: 0.8719467865183399 Energy: 0.8470940749699625 Energy: 0.8719467865183399 Energy: 0.8470940749699625 Energy: 0.8719467865183399 Energy: 0.8470940749699625 Energy: 0.8725108962706065 Energy: 0.851437654285429 Energy: 0.8725108962706065 Energy: 0.851437654285429 Energy: 0.8725108962706065 Energy: 0.851437654285429 Energy: 0.914568845955971 Energy: 0.886193295628211 Energy: 0.914568845955971 Energy: 0.886193295628211 Energy: 0.914568845955971 Energy: 0.886193295628211 Energy: 0.8829035247680683 Energy: 0.8796989328614733 Energy: 0.8829035247680683 Energy: 0.8796989328614733 Energy: 0.8829035247680683 Energy: 0.8796989328614733 Energy: 0.9145678512028081 Energy: 0.886204104094437 Energy: 0.9145678512028081 Energy: 0.886204104094437 Energy: 0.9145678512028081 Energy: 0.8862041040934178 minimum gb energy = 0.8470940749699625 eV minimum distance = 2.31590459523203 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 0.9816178042474931 Energy: 0.8894932988551297 Energy: 0.9816178042483256 Energy: 0.8894932988551297 Energy: 0.9816178042474931 Energy: 0.8894932988559621 Energy: 0.9215088323339665 Energy: 0.9067092518038905 Energy: 0.921508832334799 Energy: 0.9067092518038905 Energy: 0.921508832334799 Energy: 0.9067092518038905 Energy: 0.9105887609722492 Energy: 0.9358113376465803 Energy: 0.9105887609722492 Energy: 0.9358113376465803 Energy: 0.9105887609722492 Energy: 0.9358113376465803 Energy: 0.9088064846266722 Energy: 0.9660966332972023 Energy: 0.9088064846266722 Energy: 0.9660966332972023 Energy: 0.9088064846266722 Energy: 0.9660966332972023 Energy: 0.9023427616847314 Energy: 0.8873109572337604 Energy: 0.9023427616855638 Energy: 0.8873109572337604 Energy: 0.9023427616855638 Energy: 0.8873109572337604 Energy: 0.9034704774359497 Energy: 0.9552055670264569 Energy: 0.9034704774359497 Energy: 0.9552055670264569 Energy: 0.9034704774359497 Energy: 0.9552055670264569 Energy: 0.9351504010695048 Energy: 0.9446181154303368 Energy: 0.9351504010686725 Energy: 0.9446181154303368 Energy: 0.9351504010695048 Energy: 0.9446181154303368 Energy: 0.9181763920516265 Energy: 0.9602373503329031 Energy: 0.9181763920516265 Energy: 0.9602373503337355 Energy: 0.9181763920516265 Energy: 0.9602373503329031 Energy: 0.9637673866857587 Energy: 0.8998523452597917 Energy: 0.9637673866857587 Energy: 0.8998523452597917 Energy: 0.9637673866857587 Energy: 0.8998523452597917 Energy: 0.9117556161529351 Energy: 0.911244821216785 Energy: 0.9117556161529351 Energy: 0.911244821216785 Energy: 0.9117556161529351 Energy: 0.911244821216785 Energy: 0.887773725703091 Energy: 0.9227273858516328 Energy: 0.887773725703091 Energy: 0.922727385852465 Energy: 0.887773725703091 Energy: 0.9227273858516328 Energy: 0.9544328292376992 Energy: 0.9530697586046509 Energy: 0.9544328292385316 Energy: 0.9530697586046509 Energy: 0.9544328292385316 Energy: 0.9530697586046509 Energy: 0.9143485159391184 Energy: 0.9354989495146666 Energy: 0.9143485159382863 Energy: 0.9354989495146666 Energy: 0.9143485159382863 Energy: 0.9354989495146666 Energy: 0.9151535305307472 Energy: 0.9085874907345814 Energy: 0.9151535305315796 Energy: 0.9085874907345814 Energy: 0.9151535305307472 Energy: 0.9085874907345814 Energy: 0.9421609961466443 Energy: 0.9220610891125082 Energy: 0.9421609961474765 Energy: 0.9220610891125082 Energy: 0.9421609961466443 Energy: 0.9220610891125082 Energy: 0.9892062856949958 Energy: 0.9064981796263679 Energy: 0.9892062856949958 Energy: 0.9064981796263679 Energy: 0.9892062856966602 Energy: 0.9064981796263679 Energy: 0.9078817554652725 Energy: 0.9071690543889862 Energy: 0.9078817554661048 Energy: 0.9071690543898185 Energy: 0.9078817554652725 Energy: 0.9071690543898185 Energy: 0.9339646377531694 Energy: 0.923443673366862 Energy: 0.9339646377523372 Energy: 0.9234436733676943 Energy: 0.9339646377531694 Energy: 0.9234436733676943 Energy: 0.9237644516520562 Energy: 0.9104559212350731 Energy: 0.9237644516520562 Energy: 0.9104559212342409 Energy: 0.9237644516520562 Energy: 0.9104559212342409 Energy: 0.9100102393841563 Energy: 0.8869899344581302 Energy: 0.9100102393858209 Energy: 0.8869899344581302 Energy: 0.9100102393849886 Energy: 0.8869899344581302 Energy: 0.9563515817445298 Energy: 0.9247500054478727 Energy: 0.9563515817453622 Energy: 0.9247500054470403 Energy: 0.9563515817461944 Energy: 0.9247500054470403 minimum gb energy = 0.8869899344581302 eV minimum distance = 2.32188473237846 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 1.0171062000728182 Energy: 0.8976775165056671 Energy: 1.0171062000721167 Energy: 0.8976775165049655 Energy: 1.0171062000721167 Energy: 0.8976775165049655 Energy: 0.9618108914980821 Energy: 0.938947991208668 Energy: 0.9618108914987836 Energy: 0.938947991208668 Energy: 0.9618108914980821 Energy: 0.938947991208668 Energy: 0.8962887076108642 Energy: 0.921616380213598 Energy: 0.8962887076115656 Energy: 0.921616380213598 Energy: 0.8962887076108642 Energy: 0.9216163802142997 Energy: 0.909554672675179 Energy: 0.907378718974388 Energy: 0.9095546726744774 Energy: 0.907378718974388 Energy: 0.9095546726744774 Energy: 0.907378718974388 Energy: 0.909503018577002 Energy: 0.9141622566865754 Energy: 0.909503018577002 Energy: 0.9141622566865754 Energy: 0.9095030185777035 Energy: 0.914162256687245 Energy: 0.9140547070896266 Energy: 1.0005748200926359 Energy: 0.9140547070896266 Energy: 1.0005748200933373 Energy: 0.914054707088925 Energy: 1.0005748200933373 Energy: 0.9179007194227902 Energy: 0.9286624693010745 Energy: 0.9179007194227902 Energy: 0.9286624693010745 Energy: 0.9179007194220887 Energy: 0.9286624693010745 Energy: 0.9229801126235069 Energy: 0.8964291364324881 Energy: 0.9229801126235069 Energy: 0.8964291364324881 Energy: 0.9229801126242083 Energy: 0.8964291364324881 Energy: 0.8944113053903738 Energy: 0.9428929874148367 Energy: 0.8944113053903738 Energy: 0.9428929874155383 Energy: 0.8944113053903738 Energy: 0.9428929874148367 Energy: 0.9858149688208722 Energy: 0.9044225524228434 Energy: 0.9858149688201704 Energy: 0.904422552423545 Energy: 0.9858149688208722 Energy: 0.904422552423545 Energy: 0.987657785162711 Energy: 0.929756880732316 Energy: 0.9876577851634125 Energy: 0.9297568807330177 Energy: 0.987657785162711 Energy: 0.929756880732316 Energy: 0.9083077740742304 Energy: 0.9176465362964981 Energy: 0.908307774074932 Energy: 0.9176465362964981 Energy: 0.908307774074932 Energy: 0.9176465362964981 Energy: 0.9381246951837882 Energy: 0.9411386578244144 Energy: 0.9381246951844899 Energy: 0.9411386578244144 Energy: 0.9381246951844899 Energy: 0.9411386578251161 Energy: 0.9412939102353489 Energy: 0.9054090699227447 Energy: 0.9412939102360506 Energy: 0.9054090699227447 Energy: 0.9412939102353489 Energy: 0.9054090699227447 Energy: 0.9129871339604677 Energy: 1.0072909229173406 Energy: 0.9129871339604677 Energy: 1.0072909229166391 Energy: 0.9129871339604677 Energy: 1.0072909229166391 Energy: 0.9253146000424088 Energy: 0.9147189958704032 Energy: 0.9253146000431103 Energy: 0.9147189958711047 Energy: 0.9253146000424088 Energy: 0.9147189958704032 Energy: 0.918237792258181 Energy: 0.8972528527947812 Energy: 0.918237792258181 Energy: 0.8972528527947812 Energy: 0.918237792258181 Energy: 0.8972528527947812 Energy: 0.8956360661718293 Energy: 0.9088878835807218 Energy: 0.8956360661718293 Energy: 0.9088878835814233 Energy: 0.8956360661711279 Energy: 0.9088878835807218 Energy: 0.8794050068964362 Energy: 0.9097722974359003 Energy: 0.8794050068957348 Energy: 0.9097722974359003 Energy: 0.8794050068971377 Energy: 0.9097722974359003 Energy: 1.0171062000728182 Energy: 0.8976775165049655 Energy: 1.017106200071415 Energy: 0.8976775165049655 Energy: 1.0171062000735196 Energy: 0.8976775165042641 Energy: 0.9618108914994851 Energy: 0.9389479912093698 Energy: 0.9618108914994851 Energy: 0.938947991208668 Energy: 0.9618108914987836 Energy: 0.938947991208668 Energy: 0.8962887076115656 Energy: 0.9216163802142997 Energy: 0.8962887076115656 Energy: 0.9216163802142997 Energy: 0.8962887076115656 Energy: 0.9216163802142997 Energy: 0.909554672675179 Energy: 0.9073787189750897 Energy: 0.909554672675179 Energy: 0.907378718974388 Energy: 0.909554672675179 Energy: 0.907378718974388 Energy: 0.9095030185763006 Energy: 0.914162256687245 Energy: 0.909503018577002 Energy: 0.914162256687245 Energy: 0.9095030185763006 Energy: 0.914162256687245 Energy: 0.914054707088925 Energy: 1.000574820094039 Energy: 0.914054707088925 Energy: 1.000574820094039 Energy: 0.914054707088925 Energy: 1.000574820094039 minimum gb energy = 0.8794050068957348 eV minimum distance = 2.28772511900842 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 0.9427283275008106 Energy: 1.0279606477523975 Energy: 0.9427283275002051 Energy: 1.0279606477523975 Energy: 0.9427283275008106 Energy: 1.0279606477523975 Energy: 0.9207934429212793 Energy: 0.9114398164535034 Energy: 0.9207934429212793 Energy: 0.9114398164535034 Energy: 0.9207934429206736 Energy: 0.9114398164535034 Energy: 0.9170735406578879 Energy: 0.8927238711406398 Energy: 0.9170735406578879 Energy: 0.8927238711406398 Energy: 0.9170735406578879 Energy: 0.8927238711406398 Energy: 0.9054455805367349 Energy: 0.9286721544816917 Energy: 0.9054455805367349 Energy: 0.9286721544810861 Energy: 0.9054455805373405 Energy: 0.9286721544810861 Energy: 0.9266996998185089 Energy: 0.9272998363934389 Energy: 0.9266996998179033 Energy: 0.9272998363934389 Energy: 0.9266996998185089 Energy: 0.9272998363934389 Energy: 0.9413534511524133 Energy: 0.9141386296457967 Energy: 0.9413534511524133 Energy: 0.9141386296457967 Energy: 0.9413534511524133 Energy: 0.9141386296457967 Energy: 0.8880259434099543 Energy: 0.9367765266601047 Energy: 0.8880259434093488 Energy: 0.9367765266607103 Energy: 0.8880259434099543 Energy: 0.9367765266601047 Energy: 0.9163276001418807 Energy: 0.9318004459790037 Energy: 0.9163276001424865 Energy: 0.9318004459790037 Energy: 0.9163276001424865 Energy: 0.9318004459783981 Energy: 0.9315876573431366 Energy: 0.8925670917782926 Energy: 0.9315876573431366 Energy: 0.8925670917788983 Energy: 0.9315876573431366 Energy: 0.8925670917788983 Energy: 0.9438920989005781 Energy: 0.9328557215199004 Energy: 0.9438920989005781 Energy: 0.9328557215199004 Energy: 0.9438920989005781 Energy: 0.9328557215205059 Energy: 0.9006865932463195 Energy: 0.9815911977982283 Energy: 0.9006865932457138 Energy: 0.9815911977976226 Energy: 0.9006865932463195 Energy: 0.9815911977976226 Energy: 0.9279819382707548 Energy: 0.8928614749803693 Energy: 0.9279819382701494 Energy: 0.8928614749797635 Energy: 0.9279819382707548 Energy: 0.8928614749803693 Energy: 0.9134349012050111 Energy: 0.9075462265234092 Energy: 0.9134349012050111 Energy: 0.9075462265234092 Energy: 0.9134349012050111 Energy: 0.9075462265234092 Energy: 0.9126672831244738 Energy: 0.9284624038079272 Energy: 0.9126672831238681 Energy: 0.9284624038079272 Energy: 0.9126672831238681 Energy: 0.9284624038079272 Energy: 0.936854602253089 Energy: 0.9029306632771481 Energy: 0.9368546022524833 Energy: 0.9029306632771481 Energy: 0.9368546022524833 Energy: 0.9029306632771481 Energy: 0.9191196199182571 Energy: 0.8974863817193887 Energy: 0.9191196199170459 Energy: 0.8974863817193887 Energy: 0.9191196199182571 Energy: 0.8974863817193887 Energy: 0.904571815344646 Energy: 0.916044949050508 Energy: 0.9045718153452517 Energy: 0.916044949050508 Energy: 0.904571815344646 Energy: 0.916044949050508 Energy: 0.9156074311443168 Energy: 0.962185437512204 Energy: 0.9156074311443168 Energy: 0.962185437512204 Energy: 0.9156074311443168 Energy: 0.962185437512204 Energy: 0.9236061032720941 Energy: 0.9122133023823309 Energy: 0.9236061032714885 Energy: 0.9122133023823309 Energy: 0.9236061032720941 Energy: 0.9122133023823309 Energy: 0.9158818102168652 Energy: 0.9165047072423066 Energy: 0.9158818102168652 Energy: 0.9165047072417011 Energy: 0.9158818102168652 Energy: 0.9165047072423066 Energy: 0.8914245393755974 Energy: 0.9283809043286501 Energy: 0.891424539376203 Energy: 0.9283809043280444 Energy: 0.8914245393755974 Energy: 0.9283809043292555 Energy: 0.9301113375618567 Energy: 0.8931464336623088 Energy: 0.9301113375618567 Energy: 0.8931464336623088 Energy: 0.9301113375618567 Energy: 0.8931464336617034 Energy: 0.9633415801789001 Energy: 0.9264928686930408 Energy: 0.9633415801782946 Energy: 0.9264928686930408 Energy: 0.9633415801782946 Energy: 0.9264928686930408 Energy: 0.9308886331269869 Energy: 0.9211525221997078 Energy: 0.9308886331263813 Energy: 0.9211525221997078 Energy: 0.9308886331263813 Energy: 0.9211525222003133 Energy: 0.9070587383557939 Energy: 0.8967068246678388 Energy: 0.9070587383557939 Energy: 0.8967068246672334 Energy: 0.9070587383551881 Energy: 0.8967068246678388 Energy: 0.9165639601163835 Energy: 0.8878334377723723 Energy: 0.9165639601163835 Energy: 0.8878334377717666 Energy: 0.9165639601163835 Energy: 0.8878334377717666 Energy: 0.8931398533836195 Energy: 0.9181539911189688 Energy: 0.8931398533836195 Energy: 0.9181539911189688 Energy: 0.8931398533836195 Energy: 0.9181539911189688 Energy: 0.9232938428734243 Energy: 0.9155351855941201 Energy: 0.9232938428734243 Energy: 0.9155351855941201 Energy: 0.9232938428728188 Energy: 0.9155351855941201 Energy: 0.926148359797982 Energy: 0.9120503321630873 Energy: 0.926148359797982 Energy: 0.9120503321630873 Energy: 0.926148359797982 Energy: 0.9120503321630873 minimum gb energy = 0.8878334377717666 eV minimum distance = 2.31625576477272 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 0.8760648686518296 Energy: 0.9402528131652587 Energy: 0.8760648686512974 Energy: 0.9402528131652587 Energy: 0.8760648686518296 Energy: 0.9402528131652587 Energy: 0.9046561209661624 Energy: 0.8818978093093057 Energy: 0.9046561209656301 Energy: 0.8818978093093057 Energy: 0.9046561209640331 Energy: 0.8818978093093057 Energy: 0.8955048934501532 Energy: 0.8555288967918973 Energy: 0.8955048934506855 Energy: 0.8555288967918973 Energy: 0.8955048934506855 Energy: 0.8555288967918973 Energy: 0.8367607305518028 Energy: 0.913325094517461 Energy: 0.8367607305523351 Energy: 0.9133250945169287 Energy: 0.8367607305523351 Energy: 0.9133250945169287 Energy: 0.8799917398910919 Energy: 0.8692037292004289 Energy: 0.8799917398905596 Energy: 0.8692037292004289 Energy: 0.8799917398910919 Energy: 0.8692037292004289 Energy: 0.9244105986694295 Energy: 0.8539196871065865 Energy: 0.924410598668365 Energy: 0.8539196871060541 Energy: 0.9244105986688972 Energy: 0.8539196871065865 Energy: 0.8835627994863829 Energy: 0.8805843831113827 Energy: 0.8835627994853184 Energy: 0.8805843831113827 Energy: 0.8835627994863829 Energy: 0.880584383111915 Energy: 0.8364246551672629 Energy: 0.8796920057852539 Energy: 0.8364246551667307 Energy: 0.8796920057847215 Energy: 0.8364246551672629 Energy: 0.8796920057863185 Energy: 0.9224183585235465 Energy: 0.8549675370233213 Energy: 0.9224183585240787 Energy: 0.8549675370233213 Energy: 0.9224183585235465 Energy: 0.8549675370233213 Energy: 0.8784120345635906 Energy: 0.9296026884596742 Energy: 0.878412034564123 Energy: 0.9296026884602065 Energy: 0.8784120345646553 Energy: 0.9296026884602065 Energy: 0.83550020451045 Energy: 0.9731764248110396 Energy: 0.83550020451045 Energy: 0.9731764248115718 Energy: 0.8355002045109824 Energy: 0.9731764248110396 Energy: 0.9458047604380029 Energy: 0.8749610009480309 Energy: 0.9458047604380029 Energy: 0.8749610009474985 Energy: 0.9458047604380029 Energy: 0.874961000946966 Energy: 0.8883792491016491 Energy: 0.8556768823130063 Energy: 0.8883792491021815 Energy: 0.8556768823130063 Energy: 0.8883792491021815 Energy: 0.8556768823130063 Energy: 0.8757488422890598 Energy: 0.9234316313911471 Energy: 0.8757488422885276 Energy: 0.9234316313900823 Energy: 0.8757488422890598 Energy: 0.9234316313911471 Energy: 0.9382414504180486 Energy: 0.8681047307740801 Energy: 0.9382414504175164 Energy: 0.8681047307746124 Energy: 0.9382414504175164 Energy: 0.8681047307740801 Energy: 0.8905658604110501 Energy: 0.8695844428587709 Energy: 0.8905658604105179 Energy: 0.8695844428587709 Energy: 0.8905658604115825 Energy: 0.8695844428587709 Energy: 0.834597935025021 Energy: 0.9142650110682687 Energy: 0.834597935025021 Energy: 0.9142650110682687 Energy: 0.834597935025021 Energy: 0.9142650110682687 Energy: 0.8319100133615964 Energy: 0.8682580514081981 Energy: 0.8319100133615964 Energy: 0.8682580514087305 Energy: 0.8319100133615964 Energy: 0.8682580514087305 Energy: 0.9226392901712969 Energy: 0.855290852060734 Energy: 0.9226392901718292 Energy: 0.8552908520612663 Energy: 0.9226392901723615 Energy: 0.8552908520612663 Energy: 0.8864323926581129 Energy: 0.85124204732107 Energy: 0.8864323926581129 Energy: 0.8512420473205377 Energy: 0.8864323926581129 Energy: 0.8512420473216022 Energy: 0.8355951585913037 Energy: 0.9696961394454434 Energy: 0.8355951585913037 Energy: 0.9696961394454434 Energy: 0.8355951585913037 Energy: 0.9696961394454434 Energy: 0.9189248615954383 Energy: 0.8502394353158439 Energy: 0.9189248615959706 Energy: 0.8502394353158439 Energy: 0.9189248615943737 Energy: 0.8502394353158439 Energy: 0.9170644919299573 Energy: 0.8502989083636384 Energy: 0.9170644919294249 Energy: 0.8502989083641709 Energy: 0.9170644919294249 Energy: 0.8502989083641709 Energy: 0.8331204270319844 Energy: 0.9139487339283624 Energy: 0.8331204270325167 Energy: 0.9139487339283624 Energy: 0.8331204270319844 Energy: 0.9139487339283624 Energy: 0.8801635596866056 Energy: 0.8542784862642044 Energy: 0.8801635596866056 Energy: 0.8542784862642044 Energy: 0.8801635596860734 Energy: 0.8542784862647369 Energy: 0.8986779978464124 Energy: 0.8544210026774341 Energy: 0.8986779978458801 Energy: 0.8544210026774341 Energy: 0.8986779978464124 Energy: 0.8544210026774341 Energy: 0.8759520961841771 Energy: 0.8947513448852173 Energy: 0.8759520961847096 Energy: 0.8947513448857497 Energy: 0.8759520961857742 Energy: 0.8947513448852173 Energy: 0.9134144029060223 Energy: 0.915610324438869 Energy: 0.9134144029065545 Energy: 0.915610324438869 Energy: 0.9134144029060223 Energy: 0.915610324438869 Energy: 0.9138795867190215 Energy: 0.8653218929314738 Energy: 0.9138795867190215 Energy: 0.8653218929314738 Energy: 0.9138795867190215 Energy: 0.8653218929314738 Energy: 0.8369724761993619 Energy: 0.8832531487473573 Energy: 0.8369724761982973 Energy: 0.8832531487473573 Energy: 0.8369724761993619 Energy: 0.883253148746825 Energy: 0.8321343259988135 Energy: 0.8755449986851516 Energy: 0.8321343259988135 Energy: 0.8755449986846191 Energy: 0.8321343259982812 Energy: 0.8755449986846191 Energy: 0.9176973112890693 Energy: 0.850136954769366 Energy: 0.917697311288537 Energy: 0.8501369547698984 Energy: 0.917697311288537 Energy: 0.850136954769366 Energy: 0.9104080663861579 Energy: 0.8499877714114785 Energy: 0.9104080663717853 Energy: 0.8499877714120108 Energy: 0.9104080663701883 Energy: 0.8499877714120108 minimum gb energy = 0.8319100133615964 eV minimum distance = 2.33129816620111 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.015441402445349604 Energy: 0.5907217088369378 Energy: 0.015441402445349604 Energy: 0.5907217088373802 Energy: 0.015441402445349604 Energy: 0.5907217088369378 Energy: 0.01603567852144424 Energy: 0.25677917111385373 Energy: 0.01603567852144424 Energy: 0.25677917111385373 Energy: 0.01603567852144424 Energy: 0.2567791711147137 Energy: 0.5909935600431607 Energy: 0.2561665979732321 Energy: 0.5909935600440208 Energy: 0.2561665979728144 Energy: 0.5909935600431607 Energy: 0.2561665979693498 Energy: 0.01603567852144424 Energy: 0.25677917111429605 Energy: 0.01603567852144424 Energy: 0.25677917111385373 Energy: 0.01603567852144424 Energy: 0.25677917111385373 minimum gb energy = 0.015441402445349604 eV minimum distance = 2.54802786013695 Angstroms sigma value = 1